#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dqq s VAL 2 N 0.00 0.00 0.02 6.31 0.11 -1.26 -2.98 120.40 122.60 1dqq s VAL 2 Ca 0.00 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.12 1dqq s VAL 2 Cb 0.00 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 1dqq s VAL 2 CO 0.00 0.00 -0.22 -1.10 -3.33 0.00 0.00 175.10 170.45 1dqq s GLN 3 N 0.40 1.59 0.09 1.54 -0.21 0.39 -4.98 119.66 118.47 1dqq s GLN 3 Ca 0.02 -0.88 0.10 0.00 0.02 0.00 0.00 55.36 54.61 1dqq s GLN 3 Cb -0.05 -1.63 -0.03 0.00 1.00 0.00 0.00 33.01 32.29 1dqq s GLN 3 CO -0.09 0.43 -0.26 -0.51 -2.12 0.00 0.00 175.29 172.74 1dqq s LEU 4 N -0.89 2.25 -0.17 2.90 1.43 -1.26 -1.64 118.68 121.30 1dqq s LEU 4 Ca 0.08 -0.67 -0.07 0.00 -1.03 0.00 0.00 54.13 52.44 1dqq s LEU 4 Cb -0.09 -1.18 0.08 0.00 0.03 0.00 0.00 46.19 45.03 1dqq s LEU 4 CO 0.01 0.19 0.37 -1.58 0.23 0.00 0.00 176.35 175.57 1dqq s GLN 5 N -1.70 0.29 0.16 1.70 2.00 -1.07 -4.21 119.66 116.84 1dqq s GLN 5 Ca 0.12 0.90 -0.14 0.00 -2.00 0.00 0.00 55.36 54.24 1dqq s GLN 5 Cb -0.10 0.16 -0.07 0.00 0.80 0.00 0.00 33.01 33.80 1dqq s GLN 5 CO 0.04 -0.23 0.56 -1.21 -0.50 0.00 0.00 175.29 173.94 1dqq s GLU 6 N 2.25 3.96 -0.03 1.67 8.01 -1.26 -1.06 118.70 132.24 1dqq s GLU 6 Ca -0.03 0.47 -0.17 0.00 0.01 0.00 0.00 54.97 55.24 1dqq s GLU 6 Cb -0.11 -2.87 0.03 0.00 -4.31 0.00 0.00 34.13 26.86 1dqq s GLU 6 CO -0.12 0.44 0.37 -1.54 0.01 0.00 0.00 175.26 174.42 1dqq s SER 7 N -1.83 -0.27 0.00 -0.19 1.04 0.46 -4.92 113.70 108.00 1dqq s SER 7 Ca 0.40 0.21 0.00 0.00 0.48 0.00 0.00 55.95 57.04 1dqq s SER 7 Cb -0.14 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1dqq s SER 7 CO 0.19 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.57 1dqq n GLY 8 N 1.30 3.16 3.57 7.32 0.00 -1.26 -0.26 105.19 119.01 1dqq n GLY 8 Ca -0.21 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.23 1dqq n GLY 8 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1dqq n PRO 9 N -1.33 1.08 0.00 1.61 -0.02 -1.26 -4.90 135.00 130.17 1dqq n PRO 9 Ca 0.00 0.39 0.10 0.00 -2.02 0.00 0.00 63.50 61.98 1dqq n PRO 9 Cb 0.00 -1.92 -0.06 0.00 -0.02 0.00 0.00 33.50 31.50 1dqq n PRO 9 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1dqq n SER 10 N 0.54 1.52 -3.92 2.55 3.41 -1.26 -4.82 113.62 111.64 1dqq n SER 10 Ca 0.10 -1.26 -0.28 0.00 -0.26 0.00 0.00 58.87 57.18 1dqq n SER 10 Cb 0.40 0.73 -0.17 0.00 -0.26 0.00 0.00 64.21 64.92 1dqq n SER 10 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1dqq s LEU 11 N -2.72 1.46 -0.05 1.04 2.96 -1.26 -0.14 118.68 119.96 1dqq s LEU 11 Ca 0.13 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 53.58 1dqq s LEU 11 Cb 0.17 -0.93 0.00 0.00 0.50 0.00 0.00 46.19 45.94 1dqq s LEU 11 CO 0.71 -0.14 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.76 1dqq s VAL 12 N 1.64 1.31 0.41 1.68 1.01 -0.47 -4.98 120.40 121.00 1dqq s VAL 12 Ca 0.03 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.30 1dqq s VAL 12 Cb -0.14 -1.15 -0.06 0.00 0.00 0.00 0.00 36.38 35.03 1dqq s VAL 12 CO -0.08 0.39 0.76 -0.54 0.00 0.00 0.00 175.10 175.62 1dqq s LYS 13 N 0.30 3.73 0.51 2.72 1.02 -1.26 -2.38 119.74 124.38 1dqq s LYS 13 Ca -0.09 0.40 0.34 0.00 0.02 0.00 0.00 55.97 56.65 1dqq s LYS 13 Cb -0.13 -2.40 1.87 0.00 -0.52 0.00 0.00 37.83 36.64 1dqq s LYS 13 CO 0.03 -0.05 2.05 -1.35 -0.92 0.00 0.00 175.35 175.12 1dqq h PRO 14 N 1.12 0.00 -0.00 -1.68 0.11 -1.79 0.64 132.00 130.40 1dqq h PRO 14 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1dqq h PRO 14 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1dqq h PRO 14 CO 0.64 0.00 -0.27 -1.13 -0.21 0.00 0.00 178.00 177.03 1dqq n SER 15 N -2.71 0.39 -4.85 -2.05 3.41 -1.26 -4.49 113.62 102.05 1dqq n SER 15 Ca -0.02 -0.13 -0.23 0.00 -0.26 0.00 0.00 58.87 58.22 1dqq n SER 15 Cb 0.06 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 63.94 1dqq n SER 15 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1dqq s GLN 16 N -2.88 2.37 0.01 4.33 -0.21 0.22 -5.05 119.66 118.45 1dqq s GLN 16 Ca 0.16 -1.77 0.04 0.00 0.02 0.00 0.00 55.36 53.82 1dqq s GLN 16 Cb 0.18 -2.19 -0.03 0.00 1.00 0.00 0.00 33.01 31.97 1dqq s GLN 16 CO 0.60 -0.31 -0.10 0.95 -2.12 0.00 0.00 175.29 174.30 1dqq s THR 17 N -2.60 3.36 0.08 -0.19 -4.23 -1.26 -4.40 115.64 106.40 1dqq s THR 17 Ca 0.42 -0.90 -0.20 0.00 -1.18 0.00 0.00 61.69 59.83 1dqq s THR 17 Cb -0.01 -2.45 -0.07 0.00 1.34 0.00 0.00 72.50 71.31 1dqq s THR 17 CO 0.25 0.38 0.59 -0.22 -0.54 0.00 0.00 174.62 175.07 1dqq s LEU 18 N -1.41 4.53 -0.03 4.79 0.20 0.13 -4.92 118.68 121.97 1dqq s LEU 18 Ca 0.16 1.29 -0.01 0.00 0.69 0.00 0.00 54.13 56.27 1dqq s LEU 18 Cb -0.11 -2.93 0.03 0.00 -0.43 0.00 0.00 46.19 42.75 1dqq s LEU 18 CO 0.07 0.26 0.05 -0.44 -0.29 0.00 0.00 176.35 175.99 1dqq s SER 19 N -1.06 0.25 0.07 3.68 0.01 -1.26 -0.85 113.70 114.54 1dqq s SER 19 Ca 0.30 0.07 0.05 0.00 1.31 0.00 0.00 55.95 57.68 1dqq s SER 19 Cb -0.20 -0.06 -0.03 0.00 0.21 0.00 0.00 66.02 65.95 1dqq s SER 19 CO 0.20 -0.15 -0.15 -0.76 0.41 0.00 0.00 173.24 172.78 1dqq s LEU 20 N 1.29 2.25 -0.02 2.44 1.43 -0.54 -4.43 118.68 121.10 1dqq s LEU 20 Ca -0.06 -0.58 0.08 0.00 -1.03 0.00 0.00 54.13 52.53 1dqq s LEU 20 Cb -0.13 -0.58 -0.02 0.00 0.03 0.00 0.00 46.19 45.49 1dqq s LEU 20 CO -0.03 -0.03 -0.25 -0.89 0.23 0.00 0.00 176.35 175.37 1dqq s THR 21 N -1.15 2.02 -0.20 5.49 2.01 0.64 -1.44 115.64 123.01 1dqq s THR 21 Ca -0.00 -1.09 0.01 0.00 0.31 0.00 0.00 61.69 60.93 1dqq s THR 21 Cb -0.09 -1.68 0.03 0.00 0.01 0.00 0.00 72.50 70.77 1dqq s THR 21 CO 0.02 0.57 -0.17 0.00 -0.69 0.00 0.00 174.62 174.35 1dqq s SER 23 N 1.26 6.42 -0.24 0.00 0.01 -0.22 -2.22 113.70 118.70 1dqq s SER 23 Ca 0.02 0.50 -0.12 0.00 1.31 0.00 0.00 55.95 57.66 1dqq s SER 23 Cb -0.15 -2.26 -0.05 0.00 0.21 0.00 0.00 66.02 63.78 1dqq s SER 23 CO -0.11 -0.20 0.23 -0.69 0.41 0.00 0.00 173.24 172.88 1dqq s VAL 24 N 1.93 5.31 -0.04 3.43 1.01 -0.88 -2.59 120.40 128.58 1dqq s VAL 24 Ca 0.20 0.30 0.04 0.00 0.00 0.00 0.00 61.98 62.53 1dqq s VAL 24 Cb -0.15 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 1dqq s VAL 24 CO 0.09 0.29 -0.17 0.42 0.00 0.00 0.00 175.10 175.73 1dqq s THR 25 N 1.33 1.40 0.00 3.92 -4.23 -0.65 -4.84 115.64 112.57 1dqq s THR 25 Ca 0.10 -0.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.90 1dqq s THR 25 Cb -0.14 -1.20 0.00 0.00 1.34 0.00 0.00 72.50 72.50 1dqq s THR 25 CO 0.07 0.40 0.00 0.61 -0.54 0.00 0.00 174.62 175.16 1dqq n GLY 26 N 3.05 2.37 3.94 3.99 0.00 -1.26 -0.46 105.19 116.81 1dqq n GLY 26 Ca -0.17 -0.72 -0.20 0.00 0.00 0.00 0.00 46.02 44.92 1dqq n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dqq s ASP 27 N -4.00 5.15 0.59 1.61 -1.08 -1.16 -4.98 116.67 112.80 1dqq s ASP 27 Ca 0.00 -0.75 -0.16 0.00 -0.52 0.00 0.00 52.55 51.12 1dqq s ASP 27 Cb 0.00 -0.30 -0.04 0.00 -1.46 0.00 0.00 42.92 41.12 1dqq s ASP 27 CO 0.00 -0.87 1.05 -0.55 0.52 0.00 0.00 175.17 175.32 1dqq s SER 28 N -4.30 5.90 0.29 -0.34 0.15 -1.26 -4.92 113.70 109.22 1dqq s SER 28 Ca 0.50 1.76 0.25 0.00 0.70 0.00 0.00 55.95 59.16 1dqq s SER 28 Cb -0.05 -2.53 1.02 0.00 -1.71 0.00 0.00 66.02 62.75 1dqq s SER 28 CO 0.30 -1.08 1.74 1.62 1.20 0.00 0.00 173.24 177.02 1dqq h VAL 29 N 0.45 0.00 -0.46 4.45 3.04 -1.91 -1.89 116.25 119.93 1dqq h VAL 29 Ca -0.47 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 64.97 1dqq h VAL 29 Cb 1.21 1.01 0.00 0.00 -2.01 0.00 0.00 31.29 31.50 1dqq h VAL 29 CO 0.58 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.49 1dqq n THR 30 N -2.32 0.63 0.35 3.17 -2.24 -1.26 -4.10 114.28 108.52 1dqq n THR 30 Ca 0.02 -0.62 0.10 0.00 -2.27 0.00 0.00 64.05 61.27 1dqq n THR 30 Cb 0.24 0.30 0.15 0.00 -2.10 0.00 0.00 70.33 68.92 1dqq n THR 30 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1dqq n SER 31 N 0.85 2.99 -3.54 3.42 3.41 -0.71 -4.79 113.62 115.25 1dqq n SER 31 Ca 0.15 -1.88 -0.02 0.00 -0.26 0.00 0.00 58.87 56.87 1dqq n SER 31 Cb 0.40 -0.16 0.01 0.00 -0.26 0.00 0.00 64.21 64.19 1dqq n SER 31 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1dqq s ASP 32 N -1.35 -0.06 -0.01 4.04 3.68 -1.26 -5.02 116.67 116.69 1dqq s ASP 32 Ca 0.29 -0.50 -0.09 0.00 2.13 0.00 0.00 52.55 54.38 1dqq s ASP 32 Cb 0.18 0.43 -0.05 0.00 -1.45 0.00 0.00 42.92 42.03 1dqq s ASP 32 CO 0.25 -0.84 0.30 -0.31 0.13 0.00 0.00 175.17 174.71 1dqq s TYR 33 N -2.53 3.62 0.04 -5.34 1.51 -1.26 -2.58 117.35 110.82 1dqq s TYR 33 Ca 0.19 0.72 0.06 0.00 -1.01 0.00 0.00 57.07 57.02 1dqq s TYR 33 Cb -0.01 -2.09 -0.02 0.00 -0.11 0.00 0.00 41.96 39.73 1dqq s TYR 33 CO 0.03 0.63 -0.17 -1.58 -1.11 0.00 0.00 175.55 173.35 1dqq s TRP 34 N -1.21 1.48 0.37 2.71 0.52 -0.33 -1.43 118.94 121.05 1dqq s TRP 34 Ca 0.25 -0.35 0.05 0.00 0.02 0.00 0.00 56.10 56.07 1dqq s TRP 34 Cb -0.14 -0.88 -0.07 0.00 -1.15 0.00 0.00 33.47 31.23 1dqq s TRP 34 CO 0.13 0.05 0.04 -1.54 0.02 0.00 0.00 176.95 175.65 1dqq s SER 35 N -1.08 3.08 -0.09 2.95 1.04 0.18 -0.54 113.70 119.23 1dqq s SER 35 Ca 0.04 -1.39 0.02 0.00 0.48 0.00 0.00 55.95 55.11 1dqq s SER 35 Cb -0.08 -0.20 0.01 0.00 0.10 0.00 0.00 66.02 65.85 1dqq s SER 35 CO 0.01 -0.55 -0.16 0.26 0.98 0.00 0.00 173.24 173.78 1dqq s TRP 36 N -3.03 1.97 0.08 5.02 0.52 -0.93 -1.87 118.94 120.70 1dqq s TRP 36 Ca 0.35 -0.85 0.07 0.00 0.02 0.00 0.00 56.10 55.69 1dqq s TRP 36 Cb 0.09 -1.39 -0.03 0.00 -1.15 0.00 0.00 33.47 30.99 1dqq s TRP 36 CO 0.16 -0.41 -0.19 0.42 0.02 0.00 0.00 176.95 176.96 1dqq s ILE 37 N 0.74 1.53 0.03 2.03 -1.09 0.53 -1.81 121.20 123.17 1dqq s ILE 37 Ca -0.12 -1.42 0.01 0.00 -2.23 0.00 0.00 60.65 56.90 1dqq s ILE 37 Cb -0.16 -1.40 -0.02 0.00 -1.58 0.00 0.00 42.46 39.30 1dqq s ILE 37 CO 0.02 -0.07 -0.05 0.00 -1.23 0.00 0.00 174.94 173.61 1dqq s ARG 38 N -1.74 0.42 -0.20 2.79 1.70 -0.80 0.05 118.95 121.16 1dqq s ARG 38 Ca 0.04 -0.66 0.01 0.00 -0.47 0.00 0.00 55.73 54.65 1dqq s ARG 38 Cb -0.10 -0.11 0.04 0.00 -0.57 0.00 0.00 34.95 34.21 1dqq s ARG 38 CO 0.03 0.01 -0.13 0.21 -1.08 0.00 0.00 175.30 174.34 1dqq s LYS 39 N -1.46 2.36 0.75 3.89 2.20 0.10 -0.86 119.74 126.72 1dqq s LYS 39 Ca -0.12 -0.91 -0.07 0.00 -0.36 0.00 0.00 55.97 54.51 1dqq s LYS 39 Cb -0.10 -2.52 0.10 0.00 -1.51 0.00 0.00 37.83 33.81 1dqq s LYS 39 CO -0.00 -0.38 1.06 -0.06 -0.36 0.00 0.00 175.35 175.61 1dqq s PHE 40 N 1.32 2.39 0.80 4.03 0.08 -0.05 -1.92 117.98 124.63 1dqq s PHE 40 Ca -0.00 0.25 -0.13 0.00 0.12 0.00 0.00 56.93 57.17 1dqq s PHE 40 Cb -0.16 -3.31 0.08 0.00 -0.57 0.00 0.00 43.02 39.06 1dqq s PHE 40 CO -0.09 -1.69 1.18 -2.14 -0.10 0.00 0.00 175.22 172.39 1dqq s PRO 41 N -5.33 1.72 0.00 0.24 0.02 -1.26 -3.11 135.00 127.28 1dqq s PRO 41 Ca 0.64 1.67 0.00 0.00 0.02 0.00 0.00 61.00 63.32 1dqq s PRO 41 Cb -0.08 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.64 1dqq s PRO 41 CO 0.46 -2.13 0.00 0.41 -0.33 0.00 0.00 177.00 175.41 1dqq n GLY 42 N 0.26 0.39 3.80 0.52 0.00 -1.26 -3.96 105.19 104.94 1dqq n GLY 42 Ca 0.13 -1.07 -0.24 0.00 0.00 0.00 0.00 46.02 44.83 1dqq n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1dqq n ASN 43 N 1.98 -1.29 -4.26 1.61 3.02 -1.19 -4.95 115.26 110.18 1dqq n ASN 43 Ca 0.00 -0.92 -0.39 0.00 -0.03 0.00 0.00 54.58 53.24 1dqq n ASN 43 Cb 0.04 -3.56 -0.11 0.00 -0.61 0.00 0.00 39.78 35.54 1dqq n ASN 43 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1dqq s LYS 44 N -6.21 2.55 0.09 3.52 1.02 -1.18 -4.97 119.74 114.56 1dqq s LYS 44 Ca 0.06 -1.39 -0.17 0.00 0.02 0.00 0.00 55.97 54.49 1dqq s LYS 44 Cb -0.02 -3.64 -0.07 0.00 -0.52 0.00 0.00 37.83 33.59 1dqq s LYS 44 CO 0.85 -0.85 0.54 -0.51 -0.92 0.00 0.00 175.35 174.46 1dqq s LEU 45 N 1.39 4.45 -0.04 3.17 1.43 -1.26 -0.87 118.68 126.94 1dqq s LEU 45 Ca 0.02 1.16 0.02 0.00 -1.03 0.00 0.00 54.13 54.29 1dqq s LEU 45 Cb -0.22 -3.00 0.02 0.00 0.03 0.00 0.00 46.19 43.02 1dqq s LEU 45 CO 0.02 0.22 -0.07 -0.70 0.23 0.00 0.00 176.35 176.04 1dqq s GLU 46 N -1.43 1.05 -0.63 1.70 2.12 -0.04 -5.00 118.70 116.47 1dqq s GLU 46 Ca 0.32 -0.22 -0.20 0.00 0.36 0.00 0.00 54.97 55.22 1dqq s GLU 46 Cb -0.17 -0.97 0.09 0.00 0.26 0.00 0.00 34.13 33.34 1dqq s GLU 46 CO 0.18 -0.01 0.81 -0.47 -0.54 0.00 0.00 175.26 175.23 1dqq s TYR 47 N 0.66 2.90 0.17 5.30 5.04 -1.26 -1.91 117.35 128.25 1dqq s TYR 47 Ca -0.10 -0.85 -0.10 0.00 -2.44 0.00 0.00 57.07 53.58 1dqq s TYR 47 Cb -0.13 -4.12 0.04 0.00 0.35 0.00 0.00 41.96 38.10 1dqq s TYR 47 CO 0.01 -1.42 1.61 0.52 -1.34 0.00 0.00 175.55 174.93 1dqq h MET 48 N 9.29 1.03 0.00 4.97 2.86 -1.73 -3.40 114.93 127.96 1dqq h MET 48 Ca -0.27 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.00 1dqq h MET 48 Cb 1.08 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.66 1dqq h MET 48 CO 1.13 1.05 0.00 0.41 1.06 0.00 0.00 176.91 180.56 1dqq n GLY 49 N -0.32 -0.30 3.24 8.32 0.00 -1.23 -0.87 105.19 114.02 1dqq n GLY 49 Ca 0.02 -1.21 -0.09 0.00 0.00 0.00 0.00 46.02 44.74 1dqq n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1dqq s TYR 50 N -2.00 0.23 -0.10 1.61 -0.85 -0.26 -2.20 117.35 113.78 1dqq s TYR 50 Ca 0.00 -0.64 0.02 0.00 -0.52 0.00 0.00 57.07 55.92 1dqq s TYR 50 Cb 0.00 -0.07 0.01 0.00 0.38 0.00 0.00 41.96 42.29 1dqq s TYR 50 CO 0.00 -0.59 -0.14 -1.50 -1.52 0.00 0.00 175.55 171.80 1dqq s ILE 51 N -3.89 1.39 1.06 -3.49 2.07 0.30 -1.46 121.20 117.18 1dqq s ILE 51 Ca 0.09 -0.59 -0.15 0.00 -1.41 0.00 0.00 60.65 58.59 1dqq s ILE 51 Cb 0.04 -1.28 0.22 0.00 0.13 0.00 0.00 42.46 41.58 1dqq s ILE 51 CO -0.08 0.42 1.11 -0.94 -1.91 0.00 0.00 174.94 173.54 1dqq s SER 52 N 0.96 2.09 0.34 4.50 1.04 0.98 -1.19 113.70 122.42 1dqq s SER 52 Ca -0.08 0.94 0.23 0.00 0.48 0.00 0.00 55.95 57.52 1dqq s SER 52 Cb -0.15 -1.44 1.25 0.00 0.10 0.00 0.00 66.02 65.78 1dqq s SER 52 CO -0.01 -3.44 1.71 0.10 0.98 0.00 0.00 173.24 172.58 1dqq h TYR 53 N -2.11 0.00 -0.01 5.02 -0.00 -1.77 -2.02 116.97 116.09 1dqq h TYR 53 Ca -0.51 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.22 1dqq h TYR 53 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.05 1dqq h TYR 53 CO -0.55 0.00 -0.10 -1.13 -0.00 0.00 0.00 178.16 176.37 1dqq n SER 54 N -2.31 1.61 0.00 0.10 3.41 -1.26 -4.49 113.62 110.68 1dqq n SER 54 Ca -0.02 -1.30 0.00 0.00 -0.26 0.00 0.00 58.87 57.29 1dqq n SER 54 Cb 0.04 0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1dqq n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dqq n GLY 55 N 0.77 0.52 3.75 5.00 0.00 -0.76 -5.07 105.19 109.38 1dqq n GLY 55 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1dqq n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dqq s SER 56 N -2.27 7.21 0.14 1.61 0.01 -1.26 -4.74 113.70 114.40 1dqq s SER 56 Ca 0.00 2.21 0.09 0.00 1.31 0.00 0.00 55.95 59.56 1dqq s SER 56 Cb 0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 1dqq s SER 56 CO 0.00 -0.24 -0.15 0.42 0.41 0.00 0.00 173.24 173.68 1dqq s THR 57 N -0.54 2.98 -0.01 1.44 -4.23 -1.26 -0.02 115.64 114.00 1dqq s THR 57 Ca 0.48 -1.55 -0.00 0.00 -1.18 0.00 0.00 61.69 59.45 1dqq s THR 57 Cb -0.31 -2.41 0.02 0.00 1.34 0.00 0.00 72.50 71.14 1dqq s THR 57 CO 0.38 0.03 0.02 -0.31 -0.54 0.00 0.00 174.62 174.20 1dqq s TYR 58 N -1.35 0.02 0.08 3.99 2.02 -0.54 -5.00 117.35 116.58 1dqq s TYR 58 Ca 0.21 0.09 0.08 0.00 -0.37 0.00 0.00 57.07 57.08 1dqq s TYR 58 Cb -0.10 -0.17 -0.03 0.00 -0.40 0.00 0.00 41.96 41.26 1dqq s TYR 58 CO 0.12 -0.06 -0.22 0.71 -1.57 0.00 0.00 175.55 174.53 1dqq s TYR 59 N 0.77 1.88 0.14 2.71 2.02 -1.26 -1.10 117.35 122.50 1dqq s TYR 59 Ca -0.06 -0.40 -0.31 0.00 -0.37 0.00 0.00 57.07 55.92 1dqq s TYR 59 Cb -0.09 -1.06 -0.10 0.00 -0.40 0.00 0.00 41.96 40.30 1dqq s TYR 59 CO -0.02 0.18 1.77 -1.58 -1.57 0.00 0.00 175.55 174.33 1dqq s HIS 60 N -1.02 2.39 0.59 2.71 5.65 -0.05 -4.86 115.29 120.70 1dqq s HIS 60 Ca 0.08 0.13 0.29 0.00 0.25 0.00 0.00 55.06 55.81 1dqq s HIS 60 Cb -0.10 -4.13 1.50 0.00 -1.18 0.00 0.00 32.58 28.67 1dqq s HIS 60 CO 0.04 -4.56 1.93 -1.00 -0.65 0.00 0.00 174.74 170.50 1dqq h PRO 61 N 8.08 0.00 0.00 2.88 0.13 -1.95 -0.61 132.00 140.54 1dqq h PRO 61 Ca -0.45 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 1dqq h PRO 61 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1dqq h PRO 61 CO 0.95 0.00 -0.21 0.66 -0.23 0.00 0.00 178.00 179.16 1dqq h SER 62 N 0.00 0.00 -0.35 1.44 4.64 -1.98 -2.42 113.55 114.88 1dqq h SER 62 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1dqq h SER 62 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1dqq h SER 62 CO -0.00 0.21 0.00 0.18 -0.87 0.00 0.00 176.83 176.35 1dqq n LEU 63 N -3.39 2.32 -1.19 5.97 4.77 -0.24 -4.99 117.00 120.25 1dqq n LEU 63 Ca 0.00 -1.08 -0.17 0.00 -0.03 0.00 0.00 56.01 54.73 1dqq n LEU 63 Cb 0.41 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 1dqq n LEU 63 CO 0.33 0.54 0.40 2.29 -1.33 0.00 0.00 177.39 179.62 1dqq n LYS 64 N 0.76 0.00 -0.69 3.23 2.85 -0.92 -0.34 118.16 123.05 1dqq n LYS 64 Ca 0.16 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.42 1dqq n LYS 64 Cb 0.40 -0.40 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1dqq n LYS 64 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1dqq n SER 65 N 1.64 -1.92 0.04 -5.58 3.41 -1.26 -4.72 113.62 105.22 1dqq n SER 65 Ca 0.12 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.75 1dqq n SER 65 Cb -0.01 -2.62 -0.08 0.00 -0.26 0.00 0.00 64.21 61.24 1dqq n SER 65 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1dqq n ARG 66 N -1.11 0.62 -4.16 4.33 1.74 0.54 -4.94 116.66 113.69 1dqq n ARG 66 Ca 0.00 0.18 -0.33 0.00 -0.77 0.00 0.00 57.85 56.92 1dqq n ARG 66 Cb 0.15 -1.79 -0.08 0.00 -1.02 0.00 0.00 32.46 29.73 1dqq n ARG 66 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1dqq s ILE 67 N -3.01 4.62 -0.06 0.55 2.07 -1.20 -1.57 121.20 122.60 1dqq s ILE 67 Ca -0.03 -0.38 -0.03 0.00 -1.41 0.00 0.00 60.65 58.80 1dqq s ILE 67 Cb 0.09 -3.07 0.04 0.00 0.13 0.00 0.00 42.46 39.65 1dqq s ILE 67 CO 0.81 0.41 0.12 -0.55 -1.91 0.00 0.00 174.94 173.82 1dqq s SER 68 N -1.53 0.75 -0.15 4.50 0.15 -0.20 -5.01 113.70 112.21 1dqq s SER 68 Ca 0.20 0.23 -0.01 0.00 0.70 0.00 0.00 55.95 57.07 1dqq s SER 68 Cb -0.12 0.11 -0.02 0.00 -1.71 0.00 0.00 66.02 64.28 1dqq s SER 68 CO 0.11 -0.23 -0.11 -0.63 1.20 0.00 0.00 173.24 173.58 1dqq s ILE 69 N 2.06 3.21 0.29 6.45 1.01 -1.26 -0.53 121.20 132.43 1dqq s ILE 69 Ca 0.02 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.09 1dqq s ILE 69 Cb -0.12 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 1dqq s ILE 69 CO -0.05 0.51 0.13 0.42 0.00 0.00 0.00 174.94 175.95 1dqq s THR 70 N 0.50 0.46 0.19 2.92 -4.23 -0.82 -4.92 115.64 109.73 1dqq s THR 70 Ca -0.08 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.38 1dqq s THR 70 Cb -0.15 -2.56 -0.03 0.00 1.34 0.00 0.00 72.50 71.10 1dqq s THR 70 CO 0.04 0.00 0.22 0.00 -0.54 0.00 0.00 174.62 174.33 1dqq s ARG 71 N -3.91 1.20 -0.24 3.99 1.70 -1.26 0.62 118.95 121.06 1dqq s ARG 71 Ca 0.36 -1.42 -0.03 0.00 -0.47 0.00 0.00 55.73 54.17 1dqq s ARG 71 Cb 0.06 0.33 0.08 0.00 -0.57 0.00 0.00 34.95 34.85 1dqq s ARG 71 CO 0.16 -0.42 0.08 0.34 -1.08 0.00 0.00 175.30 174.38 1dqq s ASP 72 N -3.07 3.19 0.60 -2.89 -1.08 -0.40 -4.98 116.67 108.05 1dqq s ASP 72 Ca 0.28 -1.06 0.38 0.00 -0.52 0.00 0.00 52.55 51.62 1dqq s ASP 72 Cb 0.05 -0.53 1.91 0.00 -1.46 0.00 0.00 42.92 42.89 1dqq s ASP 72 CO 0.07 -0.37 2.20 0.71 0.52 0.00 0.00 175.17 178.30 1dqq h THR 73 N 6.47 0.11 0.23 1.71 1.35 -1.99 -0.86 112.91 119.94 1dqq h THR 73 Ca -0.16 -0.25 -0.33 0.00 -0.55 0.00 0.00 66.41 65.11 1dqq h THR 73 Cb 1.08 1.22 0.04 0.00 -1.73 0.00 0.00 68.15 68.76 1dqq h THR 73 CO 0.38 0.02 -1.45 0.28 -0.25 0.00 0.00 175.52 174.50 1dqq h SER 74 N 0.00 0.83 0.27 5.36 0.02 -1.95 -3.34 113.55 114.74 1dqq h SER 74 Ca -0.00 -0.88 0.00 0.00 -0.84 0.00 0.00 61.79 60.07 1dqq h SER 74 Cb 0.22 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1dqq h SER 74 CO 0.00 1.68 -0.57 0.29 -1.14 0.00 0.00 176.83 177.10 1dqq n LYS 75 N -3.72 0.31 -3.45 3.45 5.02 -1.07 -4.98 118.16 113.72 1dqq n LYS 75 Ca -0.16 -0.21 -0.18 0.00 -2.02 0.00 0.00 58.31 55.74 1dqq n LYS 75 Cb 1.09 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 34.68 1dqq n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1dqq n ASN 76 N -1.16 -2.94 -4.12 4.39 5.03 -0.35 -4.85 115.26 111.25 1dqq n ASN 76 Ca 0.07 -0.69 -0.09 0.00 0.87 0.00 0.00 54.58 54.74 1dqq n ASN 76 Cb 0.35 -4.88 -0.10 0.00 -1.02 0.00 0.00 39.78 34.13 1dqq n ASN 76 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1dqq s GLN 77 N -5.30 0.70 0.05 3.52 -0.21 -1.18 -2.07 119.66 115.16 1dqq s GLN 77 Ca 0.11 -1.24 0.01 0.00 0.02 0.00 0.00 55.36 54.26 1dqq s GLN 77 Cb -0.02 0.00 -0.03 0.00 1.00 0.00 0.00 33.01 33.96 1dqq s GLN 77 CO 0.75 -0.06 -0.05 1.52 -2.12 0.00 0.00 175.29 175.33 1dqq s TYR 78 N -3.62 0.55 0.13 0.91 1.13 -0.94 -1.27 117.35 114.23 1dqq s TYR 78 Ca 0.08 -0.75 0.06 0.00 -1.41 0.00 0.00 57.07 55.05 1dqq s TYR 78 Cb 0.06 -0.36 -0.04 0.00 -1.10 0.00 0.00 41.96 40.52 1dqq s TYR 78 CO -0.07 -0.21 -0.14 0.71 -2.51 0.00 0.00 175.55 173.33 1dqq s TYR 79 N -2.55 1.43 -0.16 -3.49 1.51 0.20 -1.47 117.35 112.83 1dqq s TYR 79 Ca -0.03 -0.56 -0.02 0.00 -1.01 0.00 0.00 57.07 55.45 1dqq s TYR 79 Cb -0.02 -0.74 -0.02 0.00 -0.11 0.00 0.00 41.96 41.07 1dqq s TYR 79 CO -0.04 0.16 -0.07 -1.17 -1.11 0.00 0.00 175.55 173.31 1dqq s LEU 80 N -2.53 2.96 -0.09 -1.29 2.96 -0.52 -1.94 118.68 118.23 1dqq s LEU 80 Ca 0.10 -0.27 0.03 0.00 -0.22 0.00 0.00 54.13 53.77 1dqq s LEU 80 Cb -0.04 -1.71 0.01 0.00 0.50 0.00 0.00 46.19 44.95 1dqq s LEU 80 CO 0.03 0.13 -0.18 -1.10 -1.32 0.00 0.00 176.35 173.90 1dqq s GLN 81 N 0.61 2.47 -0.06 1.98 1.11 0.31 -1.46 119.66 124.61 1dqq s GLN 81 Ca -0.05 -0.67 -0.01 0.00 0.01 0.00 0.00 55.36 54.64 1dqq s GLN 81 Cb -0.15 -1.95 0.03 0.00 -1.01 0.00 0.00 33.01 29.93 1dqq s GLN 81 CO 0.03 0.07 0.01 -1.17 0.01 0.00 0.00 175.29 174.24 1dqq s LEU 82 N 0.60 0.59 0.54 2.90 2.96 -0.03 -1.03 118.68 125.21 1dqq s LEU 82 Ca -0.14 -0.04 0.07 0.00 -0.22 0.00 0.00 54.13 53.80 1dqq s LEU 82 Cb -0.17 -0.34 0.05 0.00 0.50 0.00 0.00 46.19 46.23 1dqq s LEU 82 CO 0.05 -0.19 0.52 0.54 -1.32 0.00 0.00 176.35 175.94 1dqq s ASN 83 N 1.85 4.82 -1.57 3.68 2.20 -0.61 0.21 114.94 125.52 1dqq s ASN 83 Ca 0.02 -1.07 -0.08 0.00 -0.94 0.00 0.00 52.86 50.79 1dqq s ASN 83 Cb -0.12 0.26 0.07 0.00 -2.00 0.00 0.00 41.25 39.46 1dqq s ASN 83 CO -0.04 -1.12 0.50 -1.54 -2.94 0.00 0.00 177.10 171.96 1dqq n SER 84 N -1.88 -1.31 -4.83 3.54 3.41 -1.26 -4.91 113.62 106.38 1dqq n SER 84 Ca 0.04 -1.07 -0.32 0.00 -0.26 0.00 0.00 58.87 57.26 1dqq n SER 84 Cb 0.63 -2.61 0.01 0.00 -0.26 0.00 0.00 64.21 61.98 1dqq n SER 84 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1dqq s VAL 85 N -3.74 4.24 0.31 -3.33 -7.23 -1.26 -5.08 120.40 104.32 1dqq s VAL 85 Ca 0.33 0.90 0.05 0.00 -1.81 0.00 0.00 61.98 61.45 1dqq s VAL 85 Cb -0.18 -3.58 -0.03 0.00 0.56 0.00 0.00 36.38 33.15 1dqq s VAL 85 CO 0.93 -0.78 0.21 0.42 -0.31 0.00 0.00 175.10 175.57 1dqq s THR 86 N -2.81 0.13 0.60 5.32 -4.23 -1.26 -4.52 115.64 108.87 1dqq s THR 86 Ca 0.59 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.39 1dqq s THR 86 Cb -0.13 -2.49 0.36 0.00 1.34 0.00 0.00 72.50 71.59 1dqq s THR 86 CO 0.44 0.00 1.92 0.71 -0.54 0.00 0.00 174.62 177.14 1dqq h THR 87 N 2.21 0.32 0.00 3.99 1.35 -1.98 0.23 112.91 119.03 1dqq h THR 87 Ca -0.30 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1dqq h THR 87 Cb 1.24 0.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1dqq h THR 87 CO 0.45 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.10 1dqq n GLU 88 N -3.59 0.03 -0.03 4.72 -0.58 -1.26 -1.37 120.64 118.55 1dqq n GLU 88 Ca 0.06 0.36 0.13 0.00 -0.42 0.00 0.00 57.16 57.29 1dqq n GLU 88 Cb 0.59 -1.56 0.37 0.00 -0.57 0.00 0.00 31.44 30.27 1dqq n GLU 88 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1dqq n ASP 89 N -1.62 2.04 -4.69 1.62 8.00 0.82 -4.88 116.55 117.85 1dqq n ASP 89 Ca 0.02 -1.70 -0.42 0.00 0.71 0.00 0.00 54.79 53.40 1dqq n ASP 89 Cb 0.12 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 1dqq n ASP 89 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1dqq s THR 90 N -1.92 3.06 -0.00 -3.53 2.01 -0.47 -4.81 115.64 109.97 1dqq s THR 90 Ca 0.35 0.50 -0.20 0.00 0.31 0.00 0.00 61.69 62.65 1dqq s THR 90 Cb 0.20 -3.32 0.07 0.00 0.01 0.00 0.00 72.50 69.45 1dqq s THR 90 CO 0.31 -0.00 0.92 0.00 -0.69 0.00 0.00 174.62 175.16 1dqq n ALA 91 N 5.58 -2.57 -2.81 7.40 0.00 -0.68 -4.64 120.51 122.80 1dqq n ALA 91 Ca 0.16 -0.60 -0.36 0.00 0.00 0.00 0.00 53.44 52.63 1dqq n ALA 91 Cb 0.41 0.14 -0.11 0.00 0.00 0.00 0.00 19.45 19.89 1dqq n ALA 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1dqq s THR 92 N -2.07 4.88 -0.11 0.00 2.01 -0.81 -1.42 115.64 118.12 1dqq s THR 92 Ca 0.21 0.01 -0.05 0.00 0.31 0.00 0.00 61.69 62.18 1dqq s THR 92 Cb -0.01 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 1dqq s THR 92 CO -0.00 0.35 0.07 -0.31 -0.69 0.00 0.00 174.62 174.04 1dqq s TYR 93 N 1.22 3.35 0.05 4.92 1.51 0.17 -0.72 117.35 127.85 1dqq s TYR 93 Ca 0.06 0.31 0.03 0.00 -1.01 0.00 0.00 57.07 56.46 1dqq s TYR 93 Cb -0.14 -1.89 -0.03 0.00 -0.11 0.00 0.00 41.96 39.79 1dqq s TYR 93 CO 0.05 0.53 -0.10 0.71 -1.11 0.00 0.00 175.55 175.63 1dqq s TYR 94 N -0.75 0.88 0.16 2.71 2.02 0.11 -0.57 117.35 121.90 1dqq s TYR 94 Ca 0.12 -0.48 0.07 0.00 -0.37 0.00 0.00 57.07 56.42 1dqq s TYR 94 Cb -0.12 -0.51 -0.04 0.00 -0.40 0.00 0.00 41.96 40.89 1dqq s TYR 94 CO 0.03 -0.03 -0.04 0.00 -1.57 0.00 0.00 175.55 173.94 1dqq s ALA 96 N -1.61 -1.79 0.47 0.00 0.00 -0.78 -1.04 121.76 117.01 1dqq s ALA 96 Ca 0.26 0.86 -0.23 0.00 0.00 0.00 0.00 51.96 52.85 1dqq s ALA 96 Cb -0.10 0.48 -0.07 0.00 0.00 0.00 0.00 23.12 23.43 1dqq s ALA 96 CO 0.17 -0.74 1.25 -1.54 0.00 0.00 0.00 175.76 174.90 1dqq s SER 97 N -2.56 5.96 0.28 0.00 1.04 -0.32 0.49 113.70 118.59 1dqq s SER 97 Ca 0.06 2.51 0.15 0.00 0.48 0.00 0.00 55.95 59.15 1dqq s SER 97 Cb -0.01 -2.62 0.82 0.00 0.10 0.00 0.00 66.02 64.31 1dqq s SER 97 CO -0.08 -1.08 1.40 -2.67 0.98 0.00 0.00 173.24 171.80 1dqq n TRP 98 N -0.49 0.51 0.99 5.02 4.27 -0.51 -0.48 117.44 126.76 1dqq n TRP 98 Ca 0.07 0.27 0.12 0.00 -3.89 0.00 0.00 57.50 54.07 1dqq n TRP 98 Cb 0.46 -0.83 0.08 0.00 -1.36 0.00 0.00 31.31 29.66 1dqq n TRP 98 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1dqq n GLY 99 N -1.30 0.77 2.25 -1.67 0.00 -1.26 -4.96 105.19 99.02 1dqq n GLY 99 Ca -0.01 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1dqq n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dqq n GLY 100 N 1.36 0.74 0.29 -0.02 0.00 0.37 -4.93 105.19 103.00 1dqq n GLY 100 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1dqq n GLY 100 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dqq h ASP 101 N 0.00 0.54 -3.68 1.61 3.32 -1.93 -3.43 116.42 112.85 1dqq h ASP 101 Ca 0.00 -0.08 -0.32 0.00 0.02 0.00 0.00 57.03 56.65 1dqq h ASP 101 Cb 0.00 -0.14 -0.31 0.00 0.22 0.00 0.00 39.33 39.10 1dqq h ASP 101 CO 0.00 0.55 -0.75 0.54 -1.72 0.00 0.00 179.24 177.87 1dqq s VAL 102 N -5.13 0.24 0.28 -1.35 0.11 -1.26 -5.02 120.40 108.26 1dqq s VAL 102 Ca -0.08 -0.05 0.07 0.00 -2.93 0.00 0.00 61.98 58.99 1dqq s VAL 102 Cb 0.16 -0.26 -0.06 0.00 -1.53 0.00 0.00 36.38 34.69 1dqq s VAL 102 CO 0.76 0.11 -0.07 0.26 -3.33 0.00 0.00 175.10 172.83 1dqq s TRP 103 N 0.42 1.98 0.58 1.54 0.52 -1.26 -1.18 118.94 121.54 1dqq s TRP 103 Ca -0.04 -0.67 -0.02 0.00 0.02 0.00 0.00 56.10 55.39 1dqq s TRP 103 Cb -0.07 -1.11 0.12 0.00 -1.15 0.00 0.00 33.47 31.26 1dqq s TRP 103 CO -0.01 0.32 0.80 0.41 0.02 0.00 0.00 176.95 178.49 1dqq n GLY 104 N -0.59 0.29 0.20 0.98 0.00 -0.20 -4.31 105.19 101.56 1dqq n GLY 104 Ca -0.06 -1.95 0.09 0.00 0.00 0.00 0.00 46.02 44.10 1dqq n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dqq h ALA 105 N -0.81 0.90 0.00 4.61 0.00 -1.90 -3.46 119.26 118.61 1dqq h ALA 105 Ca -0.26 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1dqq h ALA 105 Cb 0.91 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1dqq h ALA 105 CO 0.26 0.21 0.00 0.41 0.00 0.00 0.00 179.25 180.13 1dqq n GLY 106 N 1.02 0.60 3.11 0.00 0.00 -1.26 -5.05 105.19 103.61 1dqq n GLY 106 Ca 0.03 -1.56 -0.13 0.00 0.00 0.00 0.00 46.02 44.36 1dqq n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1dqq s THR 107 N -2.30 0.01 0.16 2.61 -1.32 0.26 -4.92 115.64 110.13 1dqq s THR 107 Ca 0.00 -0.04 -0.14 0.00 -1.21 0.00 0.00 61.69 60.29 1dqq s THR 107 Cb 0.00 -0.33 -0.07 0.00 -1.51 0.00 0.00 72.50 70.59 1dqq s THR 107 CO 0.00 -0.02 0.57 0.42 -2.21 0.00 0.00 174.62 173.37 1dqq s THR 108 N 0.01 4.83 -0.06 5.08 -4.23 -1.26 0.42 115.64 120.44 1dqq s THR 108 Ca -0.01 0.85 -0.01 0.00 -1.18 0.00 0.00 61.69 61.34 1dqq s THR 108 Cb -0.02 -3.74 0.03 0.00 1.34 0.00 0.00 72.50 70.11 1dqq s THR 108 CO 0.00 0.22 0.01 -0.69 -0.54 0.00 0.00 174.62 173.62 1dqq s VAL 109 N -1.49 0.27 -0.13 2.29 1.01 -0.50 -4.48 120.40 117.36 1dqq s VAL 109 Ca 0.39 0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.50 1dqq s VAL 109 Cb -0.15 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 1dqq s VAL 109 CO 0.19 0.23 -0.01 -0.89 0.00 0.00 0.00 175.10 174.63 1dqq s THR 110 N 1.89 4.18 -0.25 3.92 2.01 0.80 -1.69 115.64 126.50 1dqq s THR 110 Ca 0.03 -0.27 -0.05 0.00 0.31 0.00 0.00 61.69 61.71 1dqq s THR 110 Cb -0.12 -2.81 -0.00 0.00 0.01 0.00 0.00 72.50 69.57 1dqq s THR 110 CO -0.04 0.53 0.00 -0.69 -0.69 0.00 0.00 174.62 173.73 1dqq s VAL 111 N -0.14 3.63 0.07 3.82 1.01 -1.26 -1.37 120.40 126.16 1dqq s VAL 111 Ca 0.04 -0.53 -0.26 0.00 0.00 0.00 0.00 61.98 61.22 1dqq s VAL 111 Cb -0.13 -2.73 0.07 0.00 0.00 0.00 0.00 36.38 33.59 1dqq s VAL 111 CO 0.02 0.31 0.62 -0.55 0.00 0.00 0.00 175.10 175.50 1dqq s SER 112 N 1.49 -0.59 0.00 3.32 0.15 -1.00 -4.09 113.70 112.97 1dqq s SER 112 Ca 0.05 0.30 0.20 0.00 0.70 0.00 0.00 55.95 57.19 1dqq s SER 112 Cb -0.15 0.57 0.15 0.00 -1.71 0.00 0.00 66.02 64.87 1dqq s SER 112 CO -0.01 -0.81 1.12 -1.20 1.20 0.00 0.00 173.24 173.55 1dqq n SER 113 N 0.20 2.61 -4.65 5.45 7.64 -1.26 -4.18 113.62 119.42 1dqq n SER 113 Ca -0.18 -1.81 -0.38 0.00 1.01 0.00 0.00 58.87 57.52 1dqq n SER 113 Cb 0.61 0.04 0.06 0.00 -1.01 0.00 0.00 64.21 63.91 1dqq n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1dqq n ALA 114 N 1.04 0.51 -2.84 -0.43 0.00 -1.26 -5.01 120.51 112.52 1dqq n ALA 114 Ca 0.11 0.01 -0.30 0.00 0.00 0.00 0.00 53.44 53.26 1dqq n ALA 114 Cb 0.50 -2.18 -0.04 0.00 0.00 0.00 0.00 19.45 17.72 1dqq n ALA 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1dqq s LYS 115 N -2.93 3.49 0.12 0.00 -2.85 -1.26 -5.03 119.74 111.28 1dqq s LYS 115 Ca 0.78 -0.35 -0.33 0.00 -1.00 0.00 0.00 55.97 55.06 1dqq s LYS 115 Cb -0.41 -2.96 -0.12 0.00 -2.06 0.00 0.00 37.83 32.27 1dqq s LYS 115 CO 0.45 0.55 1.72 2.41 0.10 0.00 0.00 175.35 180.58 1dqq n THR 116 N 0.08 0.19 -3.86 3.79 -1.04 -1.26 -4.67 114.28 107.51 1dqq n THR 116 Ca -0.04 -0.03 -0.15 0.00 -2.04 0.00 0.00 64.05 61.78 1dqq n THR 116 Cb 0.52 -1.81 -0.16 0.00 -1.82 0.00 0.00 70.33 67.06 1dqq n THR 116 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1dqq s THR 117 N 1.95 0.05 0.52 12.58 2.01 -0.26 -4.93 115.64 127.55 1dqq s THR 117 Ca 0.81 0.12 -0.20 0.00 0.31 0.00 0.00 61.69 62.73 1dqq s THR 117 Cb -0.61 -0.15 -0.07 0.00 0.01 0.00 0.00 72.50 71.69 1dqq s THR 117 CO 0.39 0.10 1.11 0.00 -0.69 0.00 0.00 174.62 175.53 1dqq s ALA 118 N 0.83 2.78 0.58 7.40 0.00 -1.26 -1.58 121.76 130.51 1dqq s ALA 118 Ca -0.07 0.78 -0.09 0.00 0.00 0.00 0.00 51.96 52.58 1dqq s ALA 118 Cb -0.11 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 1dqq s ALA 118 CO -0.02 -0.63 0.95 -1.25 0.00 0.00 0.00 175.76 174.80 1dqq s PRO 119 N -3.19 3.47 -0.12 0.00 0.04 -1.26 -4.45 135.00 129.50 1dqq s PRO 119 Ca 0.70 0.49 -0.04 0.00 0.04 0.00 0.00 61.00 62.19 1dqq s PRO 119 Cb -0.23 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 1dqq s PRO 119 CO 0.26 -0.50 0.03 -1.12 0.04 0.00 0.00 177.00 175.72 1dqq s SER 120 N -4.18 5.48 -0.22 6.66 0.01 -0.19 -4.94 113.70 116.33 1dqq s SER 120 Ca 0.53 0.17 0.01 0.00 1.31 0.00 0.00 55.95 57.96 1dqq s SER 120 Cb -0.11 -1.69 0.03 0.00 0.21 0.00 0.00 66.02 64.46 1dqq s SER 120 CO 0.50 0.33 -0.14 -0.69 0.41 0.00 0.00 173.24 173.65 1dqq s VAL 121 N -0.58 2.35 0.03 3.43 1.01 -1.26 -1.23 120.40 124.16 1dqq s VAL 121 Ca 0.10 -1.11 0.06 0.00 0.00 0.00 0.00 61.98 61.04 1dqq s VAL 121 Cb -0.12 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 1dqq s VAL 121 CO 0.02 0.31 -0.15 -0.31 0.00 0.00 0.00 175.10 174.98 1dqq s TYR 122 N 1.26 2.65 0.28 5.22 2.02 0.38 -4.96 117.35 124.20 1dqq s TYR 122 Ca 0.01 -0.19 -0.24 0.00 -0.37 0.00 0.00 57.07 56.27 1dqq s TYR 122 Cb -0.16 -1.50 -0.09 0.00 -0.40 0.00 0.00 41.96 39.81 1dqq s TYR 122 CO -0.09 0.29 0.86 -1.25 -1.57 0.00 0.00 175.55 173.80 1dqq s PRO 123 N -1.46 4.47 -0.46 -1.71 0.04 -1.26 -0.78 135.00 133.84 1dqq s PRO 123 Ca 0.16 1.17 0.03 0.00 0.04 0.00 0.00 61.00 62.39 1dqq s PRO 123 Cb -0.11 -2.84 0.12 0.00 0.04 0.00 0.00 34.50 31.71 1dqq s PRO 123 CO 0.06 0.33 0.20 -0.51 0.04 0.00 0.00 177.00 177.12 1dqq s LEU 124 N -2.00 4.58 -0.03 -3.56 1.43 -0.52 -4.86 118.68 113.74 1dqq s LEU 124 Ca 0.47 -2.67 -0.04 0.00 -1.03 0.00 0.00 54.13 50.86 1dqq s LEU 124 Cb -0.18 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 1dqq s LEU 124 CO 0.23 -0.31 0.19 0.00 0.23 0.00 0.00 176.35 176.69 1dqq s ALA 125 N 0.19 3.92 0.34 4.21 0.00 -1.26 -1.07 121.76 128.08 1dqq s ALA 125 Ca 0.15 -0.70 -0.28 0.00 0.00 0.00 0.00 51.96 51.13 1dqq s ALA 125 Cb -0.23 -1.94 -0.12 0.00 0.00 0.00 0.00 23.12 20.83 1dqq s ALA 125 CO -0.03 0.70 1.32 -2.30 0.00 0.00 0.00 175.76 175.45 1dqq n PRO 126 N 1.21 2.17 -1.65 0.00 -0.02 -1.26 -4.98 135.00 130.47 1dqq n PRO 126 Ca -0.13 0.76 -0.32 0.00 -2.02 0.00 0.00 63.50 61.80 1dqq n PRO 126 Cb 0.53 -2.36 0.05 0.00 -0.02 0.00 0.00 33.50 31.70 1dqq n PRO 126 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1dqq s VAL 127 N -1.01 3.68 0.52 -1.45 -7.23 -1.26 -4.91 120.40 108.75 1dqq s VAL 127 Ca 0.56 0.65 0.21 0.00 -1.81 0.00 0.00 61.98 61.58 1dqq s VAL 127 Cb -0.57 -3.23 0.34 0.00 0.56 0.00 0.00 36.38 33.48 1dqq s VAL 127 CO 0.61 -0.62 2.06 0.00 -0.31 0.00 0.00 175.10 176.85 1dqq n GLY 129 N -1.59 -1.44 2.57 0.00 0.00 -1.26 -4.10 105.19 99.38 1dqq n GLY 129 Ca 0.04 -0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 1dqq n GLY 129 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1dqq n ASP 130 N -1.45 4.88 -0.96 1.61 4.64 -0.74 -4.57 116.55 119.96 1dqq n ASP 130 Ca 0.09 -3.72 0.03 0.00 -1.38 0.00 0.00 54.79 49.80 1dqq n ASP 130 Cb 0.31 -0.52 0.03 0.00 -1.04 0.00 0.00 41.12 39.91 1dqq n ASP 130 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 1dqq n THR 131 N -0.45 0.27 0.77 5.18 -2.24 -1.26 -4.75 114.28 111.81 1dqq n THR 131 Ca 0.39 -0.84 0.09 0.00 -2.27 0.00 0.00 64.05 61.41 1dqq n THR 131 Cb 0.59 0.64 0.04 0.00 -2.10 0.00 0.00 70.33 69.51 1dqq n THR 131 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1dqq n THR 132 N 0.07 0.00 -2.45 4.28 5.66 -1.26 -5.02 114.28 115.56 1dqq n THR 132 Ca 0.05 -0.42 -0.19 0.00 -3.05 0.00 0.00 64.05 60.44 1dqq n THR 132 Cb 0.91 1.31 0.10 0.00 -1.55 0.00 0.00 70.33 71.10 1dqq n THR 132 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1dqq n GLY 133 N 1.11 0.46 0.18 1.09 0.00 -1.26 -4.99 105.19 101.78 1dqq n GLY 133 Ca 0.09 -1.98 0.02 0.00 0.00 0.00 0.00 46.02 44.15 1dqq n GLY 133 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1dqq h SER 134 N -0.56 0.02 -3.60 1.61 0.87 -1.97 -3.42 113.55 106.50 1dqq h SER 134 Ca -0.27 -0.01 -0.39 0.00 -1.23 0.00 0.00 61.79 59.89 1dqq h SER 134 Cb 0.96 -0.01 -0.14 0.00 -0.44 0.00 0.00 62.40 62.77 1dqq h SER 134 CO 0.27 0.42 -0.70 -0.44 -0.53 0.00 0.00 176.83 175.86 1dqq s SER 135 N -6.92 2.15 0.00 6.23 0.01 -1.26 -1.60 113.70 112.31 1dqq s SER 135 Ca -0.03 -1.09 0.02 0.00 1.31 0.00 0.00 55.95 56.17 1dqq s SER 135 Cb 0.14 -0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.30 1dqq s SER 135 CO 0.73 -0.33 -0.08 0.54 0.41 0.00 0.00 173.24 174.52 1dqq s VAL 136 N -3.21 0.59 -0.13 3.43 0.11 -0.01 -4.67 120.40 116.51 1dqq s VAL 136 Ca 0.23 -0.45 -0.00 0.00 -2.93 0.00 0.00 61.98 58.82 1dqq s VAL 136 Cb 0.03 -0.52 -0.01 0.00 -1.53 0.00 0.00 36.38 34.34 1dqq s VAL 136 CO 0.06 0.07 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.88 1dqq s THR 137 N -0.38 3.05 0.45 5.04 2.01 -1.26 -1.64 115.64 122.92 1dqq s THR 137 Ca 0.01 -0.66 0.05 0.00 0.31 0.00 0.00 61.69 61.39 1dqq s THR 137 Cb -0.04 -2.28 -0.05 0.00 0.01 0.00 0.00 72.50 70.14 1dqq s THR 137 CO -0.00 0.52 0.03 -0.76 -0.69 0.00 0.00 174.62 173.72 1dqq s LEU 138 N 0.35 2.66 0.31 4.42 1.02 0.18 -4.50 118.68 123.11 1dqq s LEU 138 Ca -0.11 -1.46 -0.13 0.00 0.02 0.00 0.00 54.13 52.45 1dqq s LEU 138 Cb -0.16 -0.88 0.02 0.00 0.02 0.00 0.00 46.19 45.19 1dqq s LEU 138 CO 0.06 -0.64 0.61 -0.83 0.02 0.00 0.00 176.35 175.57 1dqq s GLY 139 N -3.81 0.55 -0.05 -3.19 0.00 -0.23 -1.18 107.32 99.41 1dqq s GLY 139 Ca 0.24 -0.86 -0.02 0.00 0.00 0.00 0.00 44.72 44.08 1dqq s GLY 139 CO 0.12 -0.51 0.10 0.00 0.00 0.00 0.00 173.10 172.82 1dqq s LEU 141 N 1.36 3.22 -0.31 0.00 2.96 0.04 -1.49 118.68 124.47 1dqq s LEU 141 Ca -0.06 -0.27 -0.05 0.00 -0.22 0.00 0.00 54.13 53.52 1dqq s LEU 141 Cb -0.12 -1.84 0.03 0.00 0.50 0.00 0.00 46.19 44.76 1dqq s LEU 141 CO -0.05 -0.02 0.06 -0.69 -1.32 0.00 0.00 176.35 174.33 1dqq s VAL 142 N 1.48 3.58 0.09 1.68 1.01 0.73 -0.47 120.40 128.50 1dqq s VAL 142 Ca 0.06 -1.04 0.08 0.00 0.00 0.00 0.00 61.98 61.08 1dqq s VAL 142 Cb -0.15 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 1dqq s VAL 142 CO 0.01 -0.04 -0.20 -0.75 0.00 0.00 0.00 175.10 174.11 1dqq s LYS 143 N 1.39 1.14 -0.86 2.72 2.20 -0.36 -0.41 119.74 125.56 1dqq s LYS 143 Ca -0.01 -1.10 -0.05 0.00 -0.36 0.00 0.00 55.97 54.45 1dqq s LYS 143 Cb -0.18 -1.36 0.01 0.00 -1.51 0.00 0.00 37.83 34.79 1dqq s LYS 143 CO 0.01 0.32 0.75 0.41 -0.36 0.00 0.00 175.35 176.48 1dqq n GLY 144 N 1.25 -0.02 3.68 5.54 0.00 -0.46 -1.02 105.19 114.16 1dqq n GLY 144 Ca -0.19 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 1dqq n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1dqq s TYR 145 N -3.21 2.74 -0.28 1.61 1.13 -0.86 -4.47 117.35 114.01 1dqq s TYR 145 Ca 0.34 -0.25 -0.22 0.00 -1.41 0.00 0.00 57.07 55.53 1dqq s TYR 145 Cb -0.15 -1.32 0.10 0.00 -1.10 0.00 0.00 41.96 39.49 1dqq s TYR 145 CO 0.47 0.55 0.89 0.12 -2.51 0.00 0.00 175.55 175.06 1dqq s PHE 146 N -2.33 -0.66 0.34 -3.49 5.36 -0.61 -0.64 117.98 115.94 1dqq s PHE 146 Ca 0.33 1.52 0.01 0.00 -0.96 0.00 0.00 56.93 57.83 1dqq s PHE 146 Cb -0.06 0.37 0.06 0.00 -0.34 0.00 0.00 43.02 43.06 1dqq s PHE 146 CO 0.21 -0.32 0.46 -0.35 -1.46 0.00 0.00 175.22 173.76 1dqq n PRO 147 N 2.88 0.39 -1.49 10.12 -0.04 -1.26 -1.10 135.00 144.49 1dqq n PRO 147 Ca -0.15 -1.36 -0.31 0.00 -0.04 0.00 0.00 63.50 61.64 1dqq n PRO 147 Cb 0.56 -0.28 0.08 0.00 -0.04 0.00 0.00 33.50 33.82 1dqq n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1dqq s GLU 148 N -3.60 2.43 0.57 0.54 2.02 -1.26 -4.77 118.70 114.63 1dqq s GLU 148 Ca 0.31 0.87 0.07 0.00 0.02 0.00 0.00 54.97 56.24 1dqq s GLU 148 Cb -0.02 -1.94 0.07 0.00 0.10 0.00 0.00 34.13 32.34 1dqq s GLU 148 CO 0.21 -1.44 0.58 -1.25 0.02 0.00 0.00 175.26 173.38 1dqq s PRO 149 N -5.05 2.24 0.17 0.39 0.04 -1.26 -5.00 135.00 126.52 1dqq s PRO 149 Ca 0.60 -1.92 0.06 0.00 0.04 0.00 0.00 61.00 59.78 1dqq s PRO 149 Cb -0.15 -2.30 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 1dqq s PRO 149 CO 0.55 -0.78 -0.13 0.14 0.04 0.00 0.00 177.00 176.82 1dqq s VAL 150 N -2.77 1.48 -0.11 -0.36 -7.23 -1.26 -4.44 120.40 105.72 1dqq s VAL 150 Ca 0.45 -2.09 0.02 0.00 -1.81 0.00 0.00 61.98 58.54 1dqq s VAL 150 Cb -0.04 -1.91 0.01 0.00 0.56 0.00 0.00 36.38 35.01 1dqq s VAL 150 CO 0.28 -0.63 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.39 1dqq s THR 151 N -2.99 1.55 -0.06 5.32 2.01 0.02 -4.96 115.64 116.53 1dqq s THR 151 Ca 0.19 -0.68 0.05 0.00 0.31 0.00 0.00 61.69 61.56 1dqq s THR 151 Cb -0.00 -1.41 -0.01 0.00 0.01 0.00 0.00 72.50 71.09 1dqq s THR 151 CO 0.04 0.45 -0.24 -0.22 -0.69 0.00 0.00 174.62 173.96 1dqq s LEU 152 N 0.90 2.04 0.22 4.42 0.20 -1.26 -1.09 118.68 124.11 1dqq s LEU 152 Ca -0.08 -0.50 0.01 0.00 0.69 0.00 0.00 54.13 54.25 1dqq s LEU 152 Cb -0.15 -1.32 -0.05 0.00 -0.43 0.00 0.00 46.19 44.24 1dqq s LEU 152 CO -0.00 0.22 0.09 0.42 -0.29 0.00 0.00 176.35 176.78 1dqq s THR 154 N -0.05 0.40 -0.09 3.68 -4.23 -0.62 -4.98 115.64 109.76 1dqq s THR 154 Ca -0.06 -1.99 0.04 0.00 -1.18 0.00 0.00 61.69 58.50 1dqq s THR 154 Cb -0.14 -2.49 -0.00 0.00 1.34 0.00 0.00 72.50 71.21 1dqq s THR 154 CO 0.04 -0.10 -0.24 0.26 -0.54 0.00 0.00 174.62 174.04 1dqq s TRP 155 N -3.86 2.54 -1.49 3.99 0.52 -1.26 -1.06 118.94 118.32 1dqq s TRP 155 Ca 0.35 -0.98 -0.06 0.00 0.02 0.00 0.00 56.10 55.43 1dqq s TRP 155 Cb 0.07 -1.69 0.05 0.00 -1.15 0.00 0.00 33.47 30.76 1dqq s TRP 155 CO 0.11 -0.38 0.60 0.09 0.02 0.00 0.00 176.95 177.39 1dqq n ASN 160 N 3.40 -1.65 -2.67 2.95 3.02 0.66 -0.60 115.26 120.36 1dqq n ASN 160 Ca -0.19 -0.97 -0.17 0.00 -0.03 0.00 0.00 54.58 53.23 1dqq n ASN 160 Cb 0.53 -3.16 -0.00 0.00 -0.61 0.00 0.00 39.78 36.54 1dqq n ASN 160 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1dqq n SER 161 N -2.89 -4.52 0.00 6.41 7.64 -1.26 -1.84 113.62 117.16 1dqq n SER 161 Ca -0.17 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.70 1dqq n SER 161 Cb 0.62 -3.77 0.00 0.00 -1.01 0.00 0.00 64.21 60.05 1dqq n SER 161 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dqq n GLY 162 N -1.00 1.96 0.26 0.23 0.00 0.23 -4.93 105.19 101.94 1dqq n GLY 162 Ca -0.14 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.05 1dqq n GLY 162 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1dqq h SER 163 N 0.00 0.00 -3.57 1.61 4.64 -1.31 -3.38 113.55 111.54 1dqq h SER 163 Ca 0.00 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.62 1dqq h SER 163 Cb 0.00 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 61.79 1dqq h SER 163 CO 0.00 0.00 -0.56 -0.22 -0.87 0.00 0.00 176.83 175.18 1dqq s LEU 164 N -6.02 4.75 0.00 5.97 2.96 -1.09 -4.89 118.68 120.35 1dqq s LEU 164 Ca 0.02 -1.46 0.00 0.00 -0.22 0.00 0.00 54.13 52.46 1dqq s LEU 164 Cb 0.09 -1.88 0.00 0.00 0.50 0.00 0.00 46.19 44.90 1dqq s LEU 164 CO 0.53 -0.44 0.00 -1.54 -1.32 0.00 0.00 176.35 173.59 1dqq n SER 165 N 4.78 4.21 -4.79 3.68 3.41 -1.26 -4.16 113.62 119.49 1dqq n SER 165 Ca -0.10 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.18 1dqq n SER 165 Cb 0.43 0.58 -0.00 0.00 -0.26 0.00 0.00 64.21 64.96 1dqq n SER 165 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1dqq s SER 166 N -2.30 5.93 -1.69 4.04 0.01 -1.26 -3.78 113.70 114.64 1dqq s SER 166 Ca 0.00 1.93 -0.00 0.00 1.31 0.00 0.00 55.95 59.19 1dqq s SER 166 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1dqq s SER 166 CO 0.00 -1.07 0.06 0.61 0.41 0.00 0.00 173.24 173.25 1dqq n GLY 167 N -0.48 -0.46 3.62 3.44 0.00 -1.26 -4.64 105.19 105.41 1dqq n GLY 167 Ca 0.10 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1dqq n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dqq s VAL 169 N -3.02 3.95 -0.21 1.61 1.01 -1.25 -1.17 120.40 121.31 1dqq s VAL 169 Ca 0.03 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 1dqq s VAL 169 Cb -0.01 -2.64 0.07 0.00 0.00 0.00 0.00 36.38 33.80 1dqq s VAL 169 CO 0.04 0.59 0.07 -1.00 0.00 0.00 0.00 175.10 174.79 1dqq s HIS 170 N -0.85 0.85 -0.32 5.22 3.76 -0.29 -4.99 115.29 118.67 1dqq s HIS 170 Ca 0.13 -0.85 -0.08 0.00 -0.15 0.00 0.00 55.06 54.11 1dqq s HIS 170 Cb -0.11 -1.02 0.01 0.00 1.11 0.00 0.00 32.58 32.57 1dqq s HIS 170 CO 0.02 -0.65 0.12 0.99 -0.85 0.00 0.00 174.74 174.38 1dqq s THR 171 N 1.92 4.20 0.47 1.30 2.01 -1.26 -0.76 115.64 123.51 1dqq s THR 171 Ca 0.02 -0.71 -0.17 0.00 0.31 0.00 0.00 61.69 61.14 1dqq s THR 171 Cb -0.17 -3.22 -0.09 0.00 0.01 0.00 0.00 72.50 69.04 1dqq s THR 171 CO -0.14 -0.01 0.94 -0.36 -0.69 0.00 0.00 174.62 174.36 1dqq s PHE 172 N 1.52 3.41 0.44 4.92 0.40 -0.59 -5.01 117.98 123.08 1dqq s PHE 172 Ca 0.02 1.45 -0.25 0.00 -0.60 0.00 0.00 56.93 57.55 1dqq s PHE 172 Cb -0.18 -2.76 -0.08 0.00 0.51 0.00 0.00 43.02 40.51 1dqq s PHE 172 CO 0.04 -0.25 1.38 -2.14 0.70 0.00 0.00 175.22 174.96 1dqq s PRO 173 N -3.75 3.73 0.56 0.24 0.02 -1.26 -4.48 135.00 130.07 1dqq s PRO 173 Ca 0.59 2.32 -0.18 0.00 0.02 0.00 0.00 61.00 63.74 1dqq s PRO 173 Cb -0.10 -2.65 -0.05 0.00 0.02 0.00 0.00 34.50 31.72 1dqq s PRO 173 CO 0.26 -0.75 1.09 0.00 -0.33 0.00 0.00 177.00 177.27 1dqq s ALA 174 N -1.23 2.69 0.16 -1.55 0.00 -1.26 -4.84 121.76 115.73 1dqq s ALA 174 Ca 0.61 0.65 0.05 0.00 0.00 0.00 0.00 51.96 53.26 1dqq s ALA 174 Cb -0.42 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 1dqq s ALA 174 CO 0.53 -0.78 -0.11 0.14 0.00 0.00 0.00 175.76 175.54 1dqq s VAL 175 N -2.05 1.31 0.18 0.00 -7.23 -0.47 -4.92 120.40 107.21 1dqq s VAL 175 Ca 0.69 -2.06 -0.18 0.00 -1.81 0.00 0.00 61.98 58.62 1dqq s VAL 175 Cb -0.20 -1.86 -0.08 0.00 0.56 0.00 0.00 36.38 34.80 1dqq s VAL 175 CO 0.30 -0.69 0.64 -0.22 -0.31 0.00 0.00 175.10 174.83 1dqq s LEU 176 N -3.14 4.36 -0.35 1.32 2.96 -1.26 -1.20 118.68 121.37 1dqq s LEU 176 Ca 0.17 1.28 -0.00 0.00 -0.22 0.00 0.00 54.13 55.35 1dqq s LEU 176 Cb 0.01 -3.39 0.12 0.00 0.50 0.00 0.00 46.19 43.43 1dqq s LEU 176 CO 0.02 0.09 0.18 -1.10 -1.32 0.00 0.00 176.35 174.22 1dqq s GLN 177 N -1.87 0.69 -1.17 1.98 -0.21 0.15 -4.89 119.66 114.33 1dqq s GLN 177 Ca 0.39 -1.29 -0.22 0.00 0.02 0.00 0.00 55.36 54.27 1dqq s GLN 177 Cb -0.16 -1.65 0.00 0.00 1.00 0.00 0.00 33.01 32.19 1dqq s GLN 177 CO 0.20 -1.12 0.75 0.45 -2.12 0.00 0.00 175.29 173.45 1dqq n SER 178 N 4.31 -4.73 0.00 5.90 2.88 -1.26 -2.07 113.62 118.65 1dqq n SER 178 Ca 0.05 -1.07 0.00 0.00 -1.33 0.00 0.00 58.87 56.52 1dqq n SER 178 Cb 0.38 -3.05 0.00 0.00 -0.75 0.00 0.00 64.21 60.79 1dqq n SER 178 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1dqq n ASP 181 N -2.60 0.00 -4.31 -3.46 5.75 -1.26 -5.01 116.55 105.65 1dqq n ASP 181 Ca -0.11 0.00 -0.29 0.00 -0.01 0.00 0.00 54.79 54.38 1dqq n ASP 181 Cb 0.59 -0.31 -0.15 0.00 -1.03 0.00 0.00 41.12 40.22 1dqq n ASP 181 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1dqq s LEU 182 N 0.00 2.15 0.31 -2.12 1.43 -0.88 -4.79 118.68 114.78 1dqq s LEU 182 Ca 0.00 -0.55 -0.12 0.00 -1.03 0.00 0.00 54.13 52.43 1dqq s LEU 182 Cb 0.00 -1.20 -0.08 0.00 0.03 0.00 0.00 46.19 44.95 1dqq s LEU 182 CO 0.00 0.24 0.68 -0.31 0.23 0.00 0.00 176.35 177.18 1dqq s TYR 183 N -0.77 3.42 -0.04 0.29 2.02 0.19 0.32 117.35 122.77 1dqq s TYR 183 Ca 0.10 1.04 -0.07 0.00 -0.37 0.00 0.00 57.07 57.76 1dqq s TYR 183 Cb -0.10 -2.40 0.01 0.00 -0.40 0.00 0.00 41.96 39.08 1dqq s TYR 183 CO 0.02 0.10 0.18 -0.08 -1.57 0.00 0.00 175.55 174.20 1dqq s THR 184 N -2.03 0.03 0.07 -0.71 -1.32 -0.35 -1.36 115.64 109.98 1dqq s THR 184 Ca 0.51 -0.26 -0.15 0.00 -1.21 0.00 0.00 61.69 60.58 1dqq s THR 184 Cb -0.11 -0.35 0.02 0.00 -1.51 0.00 0.00 72.50 70.56 1dqq s THR 184 CO 0.23 -0.14 0.34 -0.22 -2.21 0.00 0.00 174.62 172.61 1dqq s LEU 185 N -0.49 0.72 0.09 9.08 0.20 0.45 -1.36 118.68 127.36 1dqq s LEU 185 Ca -0.06 -0.25 0.02 0.00 0.69 0.00 0.00 54.13 54.53 1dqq s LEU 185 Cb -0.04 1.53 -0.04 0.00 -0.43 0.00 0.00 46.19 47.21 1dqq s LEU 185 CO 0.01 -0.71 -0.06 -0.94 -0.29 0.00 0.00 176.35 174.36 1dqq s SER 186 N -2.37 1.04 -0.00 3.68 1.04 -1.26 -0.19 113.70 115.64 1dqq s SER 186 Ca -0.01 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.48 1dqq s SER 186 Cb 0.01 0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.23 1dqq s SER 186 CO -0.07 -0.43 0.00 -0.55 0.98 0.00 0.00 173.24 173.17 1dqq s SER 187 N -2.80 0.02 0.13 7.02 0.15 -0.56 -1.54 113.70 116.13 1dqq s SER 187 Ca 0.08 0.01 0.08 0.00 0.70 0.00 0.00 55.95 56.82 1dqq s SER 187 Cb 0.03 -0.01 -0.04 0.00 -1.71 0.00 0.00 66.02 64.28 1dqq s SER 187 CO -0.04 -0.02 -0.12 -0.94 1.20 0.00 0.00 173.24 173.31 1dqq s SER 188 N 0.19 4.20 -0.01 5.45 1.04 0.06 -0.98 113.70 123.65 1dqq s SER 188 Ca -0.02 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1dqq s SER 188 Cb -0.02 -0.71 0.01 0.00 0.10 0.00 0.00 66.02 65.39 1dqq s SER 188 CO -0.01 0.16 -0.00 0.54 0.98 0.00 0.00 173.24 174.91 1dqq s VAL 189 N -1.33 0.08 -0.12 5.02 0.11 -0.32 -1.13 120.40 122.71 1dqq s VAL 189 Ca 0.21 0.01 0.02 0.00 -2.93 0.00 0.00 61.98 59.30 1dqq s VAL 189 Cb -0.10 -0.12 0.01 0.00 -1.53 0.00 0.00 36.38 34.64 1dqq s VAL 189 CO 0.13 0.06 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.88 1dqq s THR 190 N 0.31 1.78 0.28 5.04 2.01 -0.32 -0.65 115.64 124.10 1dqq s THR 190 Ca -0.03 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.17 1dqq s THR 190 Cb -0.05 -1.59 -0.05 0.00 0.01 0.00 0.00 72.50 70.82 1dqq s THR 190 CO -0.01 0.50 0.11 0.68 -0.69 0.00 0.00 174.62 175.21 1dqq s VAL 191 N 0.80 0.59 0.22 3.82 -7.23 -0.65 -4.61 120.40 113.33 1dqq s VAL 191 Ca -0.09 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.77 1dqq s VAL 191 Cb -0.16 -2.62 -0.11 0.00 0.56 0.00 0.00 36.38 34.05 1dqq s VAL 191 CO 0.00 0.00 1.65 0.42 -0.31 0.00 0.00 175.10 176.86 1dqq s THR 192 N -3.65 2.20 0.45 5.32 -4.23 -1.26 -0.83 115.64 113.63 1dqq s THR 192 Ca 0.37 0.15 0.10 0.00 -1.18 0.00 0.00 61.69 61.13 1dqq s THR 192 Cb 0.07 -3.09 0.27 0.00 1.34 0.00 0.00 72.50 71.09 1dqq s THR 192 CO 0.15 0.01 2.08 0.77 -0.54 0.00 0.00 174.62 177.09 1dqq h SER 193 N 6.31 0.32 0.70 3.99 4.64 -1.55 -2.67 113.55 125.29 1dqq h SER 193 Ca -0.44 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 60.84 1dqq h SER 193 Cb 1.21 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 1dqq h SER 193 CO 0.91 0.23 -0.19 0.77 -0.87 0.00 0.00 176.83 177.68 1dqq h SER 194 N 0.38 0.00 0.40 4.97 4.64 -1.90 -3.10 113.55 118.94 1dqq h SER 194 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1dqq h SER 194 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1dqq h SER 194 CO -0.02 0.19 -0.27 0.35 -0.87 0.00 0.00 176.83 176.20 1dqq n THR 196 N -3.47 0.00 -4.53 2.95 -2.24 -1.01 -4.74 114.28 101.23 1dqq n THR 196 Ca -0.01 -0.06 -0.21 0.00 -2.27 0.00 0.00 64.05 61.50 1dqq n THR 196 Cb 0.35 0.16 -0.15 0.00 -2.10 0.00 0.00 70.33 68.60 1dqq n THR 196 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1dqq s TRP 197 N -2.68 1.20 -2.01 4.78 -0.00 -1.17 0.33 118.94 119.39 1dqq s TRP 197 Ca 0.21 -0.26 0.10 0.00 -0.00 0.00 0.00 56.10 56.15 1dqq s TRP 197 Cb 0.19 -0.76 0.56 0.00 -0.00 0.00 0.00 33.47 33.46 1dqq s TRP 197 CO 0.56 -0.00 1.37 -0.35 -0.00 0.00 0.00 176.95 178.52 1dqq n PRO 198 N 2.51 1.08 -0.32 5.86 -0.04 -1.26 -4.90 135.00 137.93 1dqq n PRO 198 Ca -0.15 -0.12 0.03 0.00 -0.04 0.00 0.00 63.50 63.21 1dqq n PRO 198 Cb 0.55 -1.17 0.21 0.00 -0.04 0.00 0.00 33.50 33.05 1dqq n PRO 198 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1dqq h SER 200 N 0.23 0.97 -3.50 3.54 4.64 -1.85 -3.29 113.55 114.29 1dqq h SER 200 Ca 0.00 0.00 -0.71 0.00 -0.47 0.00 0.00 61.79 60.61 1dqq h SER 200 Cb 0.05 -0.21 -0.32 0.00 -0.31 0.00 0.00 62.40 61.61 1dqq h SER 200 CO 0.00 0.63 -0.42 -1.10 -0.87 0.00 0.00 176.83 175.07 1dqq s GLN 201 N -5.96 2.36 0.68 4.77 -0.21 0.15 -5.07 119.66 116.38 1dqq s GLN 201 Ca -0.12 -1.92 -0.17 0.00 0.02 0.00 0.00 55.36 53.17 1dqq s GLN 201 Cb 0.20 -3.80 -0.04 0.00 1.00 0.00 0.00 33.01 30.37 1dqq s GLN 201 CO 0.80 -1.15 0.65 -1.13 -2.12 0.00 0.00 175.29 172.34 1dqq n SER 202 N 4.56 -0.68 -3.94 5.90 3.41 -1.24 -4.60 113.62 117.04 1dqq n SER 202 Ca -0.03 0.66 -0.25 0.00 -0.26 0.00 0.00 58.87 58.99 1dqq n SER 202 Cb 0.41 -1.26 -0.17 0.00 -0.26 0.00 0.00 64.21 62.93 1dqq n SER 202 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1dqq s ILE 203 N -1.81 0.94 -0.06 -1.33 1.01 -1.26 -5.00 121.20 113.69 1dqq s ILE 203 Ca 0.69 -0.30 0.05 0.00 0.00 0.00 0.00 60.65 61.09 1dqq s ILE 203 Cb -0.38 -0.93 -0.01 0.00 0.01 0.00 0.00 42.46 41.16 1dqq s ILE 203 CO 0.55 0.33 -0.22 -0.89 0.00 0.00 0.00 174.94 174.71 1dqq s THR 204 N 1.21 1.85 -0.12 2.92 2.01 -1.26 -1.14 115.64 121.11 1dqq s THR 204 Ca -0.05 -0.94 -0.19 0.00 0.31 0.00 0.00 61.69 60.83 1dqq s THR 204 Cb -0.14 -1.58 -0.04 0.00 0.01 0.00 0.00 72.50 70.75 1dqq s THR 204 CO -0.02 0.52 0.50 0.00 -0.69 0.00 0.00 174.62 174.92 1dqq s ASN 207 N 0.68 3.89 -0.08 0.00 -0.87 -0.22 -0.97 114.94 117.37 1dqq s ASN 207 Ca 0.27 -0.42 0.03 0.00 -1.57 0.00 0.00 52.86 51.17 1dqq s ASN 207 Cb -0.15 -1.62 0.01 0.00 -0.02 0.00 0.00 41.25 39.47 1dqq s ASN 207 CO 0.11 0.07 -0.18 -0.69 -2.57 0.00 0.00 177.10 173.84 1dqq s VAL 208 N 0.90 1.57 -0.07 1.60 1.01 0.02 -1.58 120.40 123.85 1dqq s VAL 208 Ca -0.03 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.25 1dqq s VAL 208 Cb -0.15 -1.38 -0.00 0.00 0.00 0.00 0.00 36.38 34.85 1dqq s VAL 208 CO -0.01 0.45 -0.20 0.00 0.00 0.00 0.00 175.10 175.35 1dqq s ALA 209 N 0.46 1.79 -0.43 5.51 0.00 -0.25 -1.09 121.76 127.75 1dqq s ALA 209 Ca -0.15 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.03 1dqq s ALA 209 Cb -0.16 -0.64 0.13 0.00 0.00 0.00 0.00 23.12 22.45 1dqq s ALA 209 CO 0.06 0.28 0.22 -1.58 0.00 0.00 0.00 175.76 174.74 1dqq s HIS 210 N 0.20 1.96 0.27 0.00 2.46 -0.05 -0.80 115.29 119.33 1dqq s HIS 210 Ca -0.10 -2.37 -0.02 0.00 0.47 0.00 0.00 55.06 53.04 1dqq s HIS 210 Cb -0.15 -1.87 0.59 0.00 -0.13 0.00 0.00 32.58 31.02 1dqq s HIS 210 CO 0.05 -0.79 1.64 -1.35 -2.47 0.00 0.00 174.74 171.81 1dqq h PRO 211 N 6.86 0.15 -0.73 2.88 0.11 -1.78 -1.95 132.00 137.54 1dqq h PRO 211 Ca -0.02 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.17 1dqq h PRO 211 Cb 0.94 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.97 1dqq h PRO 211 CO 0.48 0.10 0.48 0.00 -0.21 0.00 0.00 178.00 178.85 1dqq h ALA 212 N 1.76 1.81 -0.48 -0.75 0.00 -1.91 -1.74 119.26 117.96 1dqq h ALA 212 Ca 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1dqq h ALA 212 Cb 0.94 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1dqq h ALA 212 CO -0.67 0.04 0.00 -1.13 0.00 0.00 0.00 179.25 177.49 1dqq n SER 213 N -4.49 3.91 -3.91 0.00 3.41 -0.88 -4.96 113.62 106.70 1dqq n SER 213 Ca 0.12 -2.37 -0.25 0.00 -0.26 0.00 0.00 58.87 56.11 1dqq n SER 213 Cb 0.32 -0.45 -0.01 0.00 -0.26 0.00 0.00 64.21 63.81 1dqq n SER 213 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1dqq n SER 214 N 0.64 -0.49 -4.59 4.04 2.88 -0.66 -4.95 113.62 110.49 1dqq n SER 214 Ca 0.20 -0.98 -0.34 0.00 -1.33 0.00 0.00 58.87 56.42 1dqq n SER 214 Cb 0.71 -3.22 -0.11 0.00 -0.75 0.00 0.00 64.21 60.85 1dqq n SER 214 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1dqq s THR 215 N -3.91 3.98 -0.28 2.46 2.01 -0.79 -5.00 115.64 114.12 1dqq s THR 215 Ca 0.01 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.66 1dqq s THR 215 Cb -0.00 -2.68 0.16 0.00 0.01 0.00 0.00 72.50 69.99 1dqq s THR 215 CO 0.88 0.57 0.43 -0.75 -0.69 0.00 0.00 174.62 175.05 1dqq s LYS 216 N -0.45 0.42 0.16 4.92 2.20 -1.26 -0.87 119.74 124.88 1dqq s LYS 216 Ca 0.07 0.33 0.06 0.00 -0.36 0.00 0.00 55.97 56.07 1dqq s LYS 216 Cb -0.12 -0.23 -0.04 0.00 -1.51 0.00 0.00 37.83 35.92 1dqq s LYS 216 CO 0.02 -0.92 -0.12 0.14 -0.36 0.00 0.00 175.35 174.12 1dqq s VAL 217 N 2.59 1.38 -0.05 4.02 -7.23 -0.25 -4.99 120.40 115.88 1dqq s VAL 217 Ca 0.11 -2.08 0.04 0.00 -1.81 0.00 0.00 61.98 58.24 1dqq s VAL 217 Cb -0.13 -1.88 0.00 0.00 0.56 0.00 0.00 36.38 34.93 1dqq s VAL 217 CO -0.26 -0.66 -0.16 -1.81 -0.31 0.00 0.00 175.10 171.91 1dqq s ASP 218 N -3.14 2.00 -0.18 4.85 -0.00 -1.26 -0.80 116.67 118.14 1dqq s ASP 218 Ca 0.18 -0.33 -0.01 0.00 -0.00 0.00 0.00 52.55 52.39 1dqq s ASP 218 Cb 0.01 -0.62 0.05 0.00 -0.00 0.00 0.00 42.92 42.36 1dqq s ASP 218 CO 0.03 0.12 -0.01 -0.75 -0.00 0.00 0.00 175.17 174.57 1dqq s LYS 219 N 0.16 1.03 0.08 8.23 2.47 -0.15 -4.98 119.74 126.58 1dqq s LYS 219 Ca -0.06 -0.49 -0.30 0.00 -1.56 0.00 0.00 55.97 53.56 1dqq s LYS 219 Cb -0.12 -2.05 -0.06 0.00 -1.46 0.00 0.00 37.83 34.15 1dqq s LYS 219 CO 0.02 -0.54 1.16 0.21 0.16 0.00 0.00 175.35 176.36 1dqq s LYS 220 N 1.73 4.47 0.00 4.03 2.20 -1.26 -1.07 119.74 129.83 1dqq s LYS 220 Ca -0.01 1.73 0.29 0.00 -0.36 0.00 0.00 55.97 57.62 1dqq s LYS 220 Cb -0.16 -3.34 1.71 0.00 -1.51 0.00 0.00 37.83 34.53 1dqq s LYS 220 CO -0.07 -0.18 2.05 -0.89 -0.36 0.00 0.00 175.35 175.90