#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dqq n ILE 2 N 0.00 0.68 -3.51 5.18 5.41 -1.26 -4.95 119.36 120.91 1dqq n ILE 2 Ca 0.00 -0.12 -0.38 0.00 1.00 0.00 0.00 62.75 63.25 1dqq n ILE 2 Cb 0.00 -2.18 -0.09 0.00 -0.71 0.00 0.00 39.64 36.66 1dqq n ILE 2 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1dqq s VAL 3 N 4.16 5.27 -0.21 1.39 1.01 -1.26 -4.77 120.40 125.99 1dqq s VAL 3 Ca 0.89 0.46 -0.07 0.00 0.00 0.00 0.00 61.98 63.26 1dqq s VAL 3 Cb -0.51 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1dqq s VAL 3 CO 0.44 0.28 0.06 -0.76 0.00 0.00 0.00 175.10 175.13 1dqq s LEU 4 N 1.27 3.66 -0.28 3.92 1.43 -1.26 -1.24 118.68 126.18 1dqq s LEU 4 Ca 0.14 -0.03 -0.06 0.00 -1.03 0.00 0.00 54.13 53.14 1dqq s LEU 4 Cb -0.14 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.14 1dqq s LEU 4 CO 0.07 0.09 0.05 -0.89 0.23 0.00 0.00 176.35 175.91 1dqq s THR 5 N 0.85 3.83 -0.09 5.49 2.01 0.12 -3.91 115.64 123.94 1dqq s THR 5 Ca 0.03 -0.67 -0.05 0.00 0.31 0.00 0.00 61.69 61.31 1dqq s THR 5 Cb -0.14 -2.94 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 1dqq s THR 5 CO 0.02 0.14 0.13 -1.10 -0.69 0.00 0.00 174.62 173.12 1dqq s GLN 6 N 1.49 3.36 -0.02 4.92 -0.21 -1.26 -0.21 119.66 127.73 1dqq s GLN 6 Ca 0.03 -0.22 -0.11 0.00 0.02 0.00 0.00 55.36 55.08 1dqq s GLN 6 Cb -0.17 -3.11 0.02 0.00 1.00 0.00 0.00 33.01 30.75 1dqq s GLN 6 CO 0.01 0.74 0.24 -1.12 -2.12 0.00 0.00 175.29 173.04 1dqq s SER 7 N -1.25 -0.13 0.84 5.90 0.01 -0.71 -4.46 113.70 113.91 1dqq s SER 7 Ca 0.18 0.06 -0.12 0.00 1.31 0.00 0.00 55.95 57.37 1dqq s SER 7 Cb -0.12 0.31 0.09 0.00 0.21 0.00 0.00 66.02 66.52 1dqq s SER 7 CO 0.07 -0.35 1.16 -2.16 0.41 0.00 0.00 173.24 172.37 1dqq s PRO 8 N -1.08 1.76 0.20 12.44 0.04 -1.26 -0.75 135.00 146.34 1dqq s PRO 8 Ca -0.12 0.18 -0.10 0.00 0.04 0.00 0.00 61.00 61.01 1dqq s PRO 8 Cb -0.05 -1.92 0.14 0.00 0.04 0.00 0.00 34.50 32.71 1dqq s PRO 8 CO 0.03 -1.75 1.83 0.00 0.04 0.00 0.00 177.00 177.14 1dqq h ALA 9 N -1.17 0.95 -3.42 8.56 0.00 -1.88 -3.43 119.26 118.87 1dqq h ALA 9 Ca -0.47 -0.11 -0.24 0.00 0.00 0.00 0.00 54.91 54.08 1dqq h ALA 9 Cb 1.33 -0.30 -0.24 0.00 0.00 0.00 0.00 17.79 18.57 1dqq h ALA 9 CO 0.65 0.46 -0.72 0.99 0.00 0.00 0.00 179.25 180.62 1dqq s THR 10 N -5.87 0.24 -0.12 0.00 2.01 -1.26 -1.50 115.64 109.14 1dqq s THR 10 Ca -0.13 -0.56 -0.00 0.00 0.31 0.00 0.00 61.69 61.31 1dqq s THR 10 Cb 0.15 -0.29 0.02 0.00 0.01 0.00 0.00 72.50 72.39 1dqq s THR 10 CO 0.80 -0.21 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.66 1dqq s LEU 11 N -0.81 1.33 -0.33 4.42 1.43 0.14 -4.93 118.68 119.92 1dqq s LEU 11 Ca -0.07 -0.35 -0.10 0.00 -1.03 0.00 0.00 54.13 52.58 1dqq s LEU 11 Cb -0.06 -0.94 0.01 0.00 0.03 0.00 0.00 46.19 45.24 1dqq s LEU 11 CO -0.00 -0.10 0.17 -0.44 0.23 0.00 0.00 176.35 176.21 1dqq s SER 12 N 1.62 5.59 0.23 2.29 0.01 -1.26 -0.20 113.70 121.98 1dqq s SER 12 Ca 0.04 -0.72 0.03 0.00 1.31 0.00 0.00 55.95 56.62 1dqq s SER 12 Cb -0.13 -2.00 -0.05 0.00 0.21 0.00 0.00 66.02 64.05 1dqq s SER 12 CO -0.09 -0.27 -0.00 0.68 0.41 0.00 0.00 173.24 173.97 1dqq s VAL 13 N 1.58 1.01 -0.11 3.43 -7.23 -0.73 -4.74 120.40 113.63 1dqq s VAL 13 Ca 0.03 -2.03 -0.09 0.00 -1.81 0.00 0.00 61.98 58.08 1dqq s VAL 13 Cb -0.18 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 1dqq s VAL 13 CO 0.06 -0.33 0.20 -0.89 -0.31 0.00 0.00 175.10 173.83 1dqq s THR 14 N -3.43 5.39 0.42 5.32 2.01 -1.26 -1.14 115.64 122.94 1dqq s THR 14 Ca 0.28 0.36 -0.26 0.00 0.31 0.00 0.00 61.69 62.38 1dqq s THR 14 Cb 0.06 -3.49 -0.10 0.00 0.01 0.00 0.00 72.50 68.98 1dqq s THR 14 CO 0.08 0.58 1.39 -0.81 -0.69 0.00 0.00 174.62 175.17 1dqq n PRO 15 N 2.19 2.25 0.00 4.92 -0.04 -1.26 -1.62 135.00 141.44 1dqq n PRO 15 Ca -0.18 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.08 1dqq n PRO 15 Cb 0.54 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 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 0.63 0.84 3.88 0.55 0.00 0.90 -4.93 105.19 107.07 1dqq n GLY 16 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.08 6.48 -0.18 1.61 1.11 -0.64 -4.29 116.67 118.68 1dqq s ASP 17 Ca 0.00 1.10 -0.07 0.00 0.18 0.00 0.00 52.55 53.76 1dqq s ASP 17 Cb 0.00 -2.31 -0.04 0.00 1.07 0.00 0.00 42.92 41.64 1dqq s ASP 17 CO 0.00 -0.42 0.06 -0.44 1.18 0.00 0.00 175.17 175.55 1dqq s SER 18 N -3.29 5.59 0.29 0.27 0.01 -1.26 0.92 113.70 116.23 1dqq s SER 18 Ca 0.51 0.08 0.08 0.00 1.31 0.00 0.00 55.95 57.93 1dqq s SER 18 Cb -0.10 -1.95 -0.06 0.00 0.21 0.00 0.00 66.02 64.12 1dqq s SER 18 CO 0.33 0.18 -0.10 0.54 0.41 0.00 0.00 173.24 174.61 1dqq s VAL 19 N 0.31 1.91 -0.03 3.43 0.11 0.05 -4.89 120.40 121.28 1dqq s VAL 19 Ca 0.03 -2.19 -0.01 0.00 -2.93 0.00 0.00 61.98 56.88 1dqq s VAL 19 Cb -0.12 -2.43 0.03 0.00 -1.53 0.00 0.00 36.38 32.32 1dqq s VAL 19 CO 0.00 -0.32 0.05 -0.55 -3.33 0.00 0.00 175.10 170.95 1dqq s SER 20 N -3.48 0.78 -0.07 3.54 0.15 -1.26 -0.81 113.70 112.56 1dqq s SER 20 Ca 0.29 0.06 -0.02 0.00 0.70 0.00 0.00 55.95 56.98 1dqq s SER 20 Cb 0.02 -0.12 -0.04 0.00 -1.71 0.00 0.00 66.02 64.17 1dqq s SER 20 CO 0.13 -0.21 0.05 -0.76 1.20 0.00 0.00 173.24 173.65 1dqq s LEU 21 N 1.79 3.81 0.09 3.45 1.43 0.17 -4.87 118.68 124.55 1dqq s LEU 21 Ca 0.00 0.20 0.03 0.00 -1.03 0.00 0.00 54.13 53.33 1dqq s LEU 21 Cb -0.12 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 1dqq s LEU 21 CO -0.03 0.35 0.09 -0.55 0.23 0.00 0.00 176.35 176.45 1dqq s SER 22 N -1.17 5.56 -0.18 2.29 0.15 0.07 -0.62 113.70 119.80 1dqq s SER 22 Ca 0.16 -0.02 -0.05 0.00 0.70 0.00 0.00 55.95 56.74 1dqq s SER 22 Cb -0.12 -1.50 0.09 0.00 -1.71 0.00 0.00 66.02 62.79 1dqq s SER 22 CO 0.06 0.15 0.33 0.00 1.20 0.00 0.00 173.24 174.99 1dqq s ARG 24 N 2.50 3.32 0.13 0.00 1.81 0.71 -2.16 118.95 125.25 1dqq s ARG 24 Ca 0.03 -0.71 -0.13 0.00 -1.72 0.00 0.00 55.73 53.19 1dqq s ARG 24 Cb -0.13 -2.58 -0.07 0.00 -0.45 0.00 0.00 34.95 31.73 1dqq s ARG 24 CO -0.12 0.22 0.51 0.00 -0.68 0.00 0.00 175.30 175.23 1dqq s ALA 25 N 0.32 3.62 -1.99 2.13 0.00 -0.78 0.12 121.76 125.18 1dqq s ALA 25 Ca -0.12 -0.21 0.25 0.00 0.00 0.00 0.00 51.96 51.89 1dqq s ALA 25 Cb -0.16 -2.45 1.50 0.00 0.00 0.00 0.00 23.12 22.01 1dqq s ALA 25 CO 0.06 0.49 1.86 -1.13 0.00 0.00 0.00 175.76 177.04 1dqq n SER 26 N 0.81 0.00 -3.59 0.00 3.41 -0.38 -4.76 113.62 109.11 1dqq n SER 26 Ca -0.06 -0.78 -0.11 0.00 -0.26 0.00 0.00 58.87 57.67 1dqq n SER 26 Cb 0.52 -0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.43 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 -2.01 1.21 0.16 4.33 -0.21 -1.26 -4.96 119.66 116.93 1dqq s GLN 27 Ca 0.37 -0.66 -0.31 0.00 0.02 0.00 0.00 55.36 54.78 1dqq s GLN 27 Cb 0.17 0.52 -0.09 0.00 1.00 0.00 0.00 33.01 34.62 1dqq s GLN 27 CO 0.29 -0.50 1.40 0.45 -2.12 0.00 0.00 175.29 174.81 1dqq s SER 28 N -2.80 6.78 -0.10 5.90 0.15 -1.26 -4.56 113.70 117.80 1dqq s SER 28 Ca 0.04 2.44 0.14 0.00 0.70 0.00 0.00 55.95 59.27 1dqq s SER 28 Cb 0.00 -2.60 0.27 0.00 -1.71 0.00 0.00 66.02 61.98 1dqq s SER 28 CO -0.10 -0.66 1.13 2.30 1.20 0.00 0.00 173.24 177.12 1dqq n ILE 29 N 3.36 1.30 0.00 6.45 -5.35 0.88 -4.97 119.36 121.03 1dqq n ILE 29 Ca 0.10 -1.81 0.00 0.00 -0.27 0.00 0.00 62.75 60.76 1dqq n ILE 29 Cb 0.41 0.08 0.00 0.00 -1.74 0.00 0.00 39.64 38.40 1dqq n ILE 29 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1dqq n SER 30 N -0.80 0.00 -0.81 7.28 2.88 -1.25 -1.56 113.62 119.36 1dqq n SER 30 Ca 0.12 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.74 1dqq n SER 30 Cb 0.73 0.00 0.25 0.00 -0.75 0.00 0.00 64.21 64.43 1dqq n SER 30 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1dqq n ASN 31 N 3.75 3.69 -3.30 -3.46 2.04 -1.26 -0.67 115.26 116.06 1dqq n ASN 31 Ca 0.00 -3.04 -0.38 0.00 -0.44 0.00 0.00 54.58 50.72 1dqq n ASN 31 Cb 0.00 -0.53 -0.03 0.00 -2.53 0.00 0.00 39.78 36.69 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 -0.63 8.32 -4.11 0.53 5.03 -0.60 -3.07 115.26 120.72 1dqq n ASN 32 Ca 0.21 -2.80 -0.24 0.00 0.87 0.00 0.00 54.58 52.62 1dqq n ASN 32 Cb 0.87 -1.47 -0.15 0.00 -1.02 0.00 0.00 39.78 38.00 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 -0.77 1.96 0.07 3.41 1.98 -1.26 -1.61 118.68 122.45 1dqq s LEU 33 Ca 0.64 -0.29 0.05 0.00 -2.89 0.00 0.00 54.13 51.63 1dqq s LEU 33 Cb 0.19 -0.81 -0.03 0.00 0.66 0.00 0.00 46.19 46.20 1dqq s LEU 33 CO -0.08 0.16 -0.13 -1.00 -1.89 0.00 0.00 176.35 173.42 1dqq s HIS 34 N -0.17 1.10 0.00 5.38 3.76 0.26 0.19 115.29 125.81 1dqq s HIS 34 Ca 0.02 -0.47 0.06 0.00 -0.15 0.00 0.00 55.06 54.51 1dqq s HIS 34 Cb -0.08 -0.62 -0.03 0.00 1.11 0.00 0.00 32.58 32.96 1dqq s HIS 34 CO 0.00 0.03 -0.17 -1.58 -0.85 0.00 0.00 174.74 172.17 1dqq s TRP 35 N -1.34 2.60 0.08 1.40 0.52 -0.58 -0.45 118.94 121.17 1dqq s TRP 35 Ca -0.03 -0.23 0.03 0.00 0.02 0.00 0.00 56.10 55.89 1dqq s TRP 35 Cb -0.10 -1.53 -0.03 0.00 -1.15 0.00 0.00 33.47 30.66 1dqq s TRP 35 CO 0.02 0.21 -0.10 0.71 0.02 0.00 0.00 176.95 177.80 1dqq s TYR 36 N -0.83 0.99 -0.02 -1.98 2.02 0.88 -0.76 117.35 117.65 1dqq s TYR 36 Ca 0.13 -0.61 0.07 0.00 -0.37 0.00 0.00 57.07 56.30 1dqq s TYR 36 Cb -0.11 -0.56 -0.02 0.00 -0.40 0.00 0.00 41.96 40.88 1dqq s TYR 36 CO 0.03 -0.02 -0.24 -1.14 -1.57 0.00 0.00 175.55 172.61 1dqq s GLN 37 N -2.44 2.17 -0.08 -0.62 0.74 -0.62 -1.20 119.66 117.61 1dqq s GLN 37 Ca 0.01 -0.90 -0.03 0.00 0.05 0.00 0.00 55.36 54.49 1dqq s GLN 37 Cb -0.05 -2.09 0.04 0.00 1.10 0.00 0.00 33.01 32.01 1dqq s GLN 37 CO 0.00 0.57 0.17 -1.14 -0.55 0.00 0.00 175.29 174.34 1dqq s GLN 38 N -0.63 0.10 0.35 1.67 0.74 0.14 0.03 119.66 122.07 1dqq s GLN 38 Ca 0.10 0.45 0.07 0.00 0.05 0.00 0.00 55.36 56.04 1dqq s GLN 38 Cb -0.10 -0.18 -0.02 0.00 1.10 0.00 0.00 33.01 33.80 1dqq s GLN 38 CO -0.01 -0.20 0.33 0.15 -0.55 0.00 0.00 175.29 175.01 1dqq s LYS 39 N 1.46 2.73 0.40 1.67 1.02 -1.26 -1.65 119.74 124.10 1dqq s LYS 39 Ca -0.06 -1.31 -0.26 0.00 0.02 0.00 0.00 55.97 54.36 1dqq s LYS 39 Cb -0.11 -2.49 -0.11 0.00 -0.52 0.00 0.00 37.83 34.59 1dqq s LYS 39 CO -0.07 0.04 1.18 -1.13 -0.92 0.00 0.00 175.35 174.45 1dqq n SER 40 N -1.43 2.11 -4.20 2.83 3.41 -1.26 -1.97 113.62 113.11 1dqq n SER 40 Ca -0.01 1.11 -0.36 0.00 -0.26 0.00 0.00 58.87 59.35 1dqq n SER 40 Cb 0.60 -1.44 -0.02 0.00 -0.26 0.00 0.00 64.21 63.09 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 -0.16 -1.81 -3.86 7.33 8.25 -1.26 -4.93 115.22 118.79 1dqq n HIS 41 Ca 0.07 0.81 -0.11 0.00 -0.26 0.00 0.00 57.72 58.23 1dqq n HIS 41 Cb 0.38 -3.05 -0.11 0.00 1.12 0.00 0.00 29.99 28.34 1dqq n HIS 41 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1dqq s GLU 42 N -6.90 0.37 0.55 -0.41 2.12 -0.83 -5.15 118.70 108.44 1dqq s GLU 42 Ca 0.75 -0.20 -0.16 0.00 0.36 0.00 0.00 54.97 55.72 1dqq s GLU 42 Cb -0.40 0.16 -0.06 0.00 0.26 0.00 0.00 34.13 34.08 1dqq s GLU 42 CO 0.92 -0.08 1.02 -1.12 -0.54 0.00 0.00 175.26 175.46 1dqq s SER 43 N -0.88 6.26 0.71 -1.70 0.01 -1.26 -4.45 113.70 112.40 1dqq s SER 43 Ca -0.10 1.65 -0.16 0.00 1.31 0.00 0.00 55.95 58.65 1dqq s SER 43 Cb -0.05 -2.51 0.03 0.00 0.21 0.00 0.00 66.02 63.69 1dqq s SER 43 CO 0.01 -0.84 1.26 -2.84 0.41 0.00 0.00 173.24 171.24 1dqq s PRO 44 N -4.17 2.17 -0.13 12.44 0.02 -1.26 -4.65 135.00 139.42 1dqq s PRO 44 Ca 0.60 1.94 0.01 0.00 0.02 0.00 0.00 61.00 63.58 1dqq s PRO 44 Cb -0.12 -1.81 0.02 0.00 0.02 0.00 0.00 34.50 32.60 1dqq s PRO 44 CO 0.35 -1.86 -0.15 0.50 -0.33 0.00 0.00 177.00 175.51 1dqq s ARG 45 N -3.69 2.29 0.03 5.54 3.52 0.10 -4.95 118.95 121.80 1dqq s ARG 45 Ca 0.79 -0.57 -0.30 0.00 -0.13 0.00 0.00 55.73 55.51 1dqq s ARG 45 Cb -0.34 -2.00 -0.08 0.00 -1.56 0.00 0.00 34.95 30.97 1dqq s ARG 45 CO 0.44 -0.13 1.74 -1.17 -0.81 0.00 0.00 175.30 175.37 1dqq s LEU 46 N 1.17 4.37 -0.23 -0.88 2.96 -1.26 -1.58 118.68 123.23 1dqq s LEU 46 Ca -0.02 2.47 -0.14 0.00 -0.22 0.00 0.00 54.13 56.21 1dqq s LEU 46 Cb -0.14 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 42.91 1dqq s LEU 46 CO -0.05 -0.95 -0.33 0.18 -1.32 0.00 0.00 176.35 173.88 1dqq n LEU 47 N 6.54 1.84 -4.14 -0.68 4.77 0.06 -4.94 117.00 120.45 1dqq n LEU 47 Ca 0.17 0.32 -0.20 0.00 -0.03 0.00 0.00 56.01 56.27 1dqq n LEU 47 Cb 0.41 -0.74 -0.13 0.00 -2.33 0.00 0.00 43.42 40.62 1dqq n LEU 47 CO 0.64 0.24 -0.46 -0.63 -1.33 0.00 0.00 177.39 175.85 1dqq s ILE 48 N -2.60 1.11 -0.03 -0.08 -1.09 -1.17 -3.85 121.20 113.48 1dqq s ILE 48 Ca -0.33 -0.99 0.07 0.00 -2.23 0.00 0.00 60.65 57.17 1dqq s ILE 48 Cb 0.10 -1.01 -0.02 0.00 -1.58 0.00 0.00 42.46 39.96 1dqq s ILE 48 CO 0.44 0.01 -0.25 -0.75 -1.23 0.00 0.00 174.94 173.16 1dqq s LYS 49 N -1.12 2.27 -1.22 2.79 2.20 -0.16 -1.53 119.74 122.97 1dqq s LYS 49 Ca 0.02 -0.90 -0.18 0.00 -0.36 0.00 0.00 55.97 54.54 1dqq s LYS 49 Cb -0.08 -2.10 0.00 0.00 -1.51 0.00 0.00 37.83 34.14 1dqq s LYS 49 CO 0.01 0.51 0.67 0.66 -0.36 0.00 0.00 175.35 176.85 1dqq n TYR 50 N 2.58 -1.75 0.00 4.03 4.01 -0.77 0.24 117.16 125.51 1dqq n TYR 50 Ca -0.16 0.45 0.00 0.00 -0.16 0.00 0.00 57.90 58.03 1dqq n TYR 50 Cb 0.51 -3.38 0.00 0.00 -0.31 0.00 0.00 39.34 36.16 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 -4.40 0.00 -1.02 -0.72 0.00 0.13 -3.93 120.51 110.57 1dqq n ALA 51 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1dqq n ALA 51 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 1.66 0.00 -4.68 0.00 3.41 -1.20 -2.38 113.62 110.44 1dqq n SER 52 Ca 0.00 -1.00 -0.43 0.00 -0.26 0.00 0.00 58.87 57.18 1dqq n SER 52 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 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 4.31 0.61 4.33 -0.21 0.14 -4.68 119.66 124.16 1dqq s GLN 53 Ca 0.00 1.63 -0.18 0.00 0.02 0.00 0.00 55.36 56.83 1dqq s GLN 53 Cb 0.00 -3.63 -0.03 0.00 1.00 0.00 0.00 33.01 30.36 1dqq s GLN 53 CO 0.00 -0.53 1.17 0.45 -2.12 0.00 0.00 175.29 174.26 1dqq s SER 54 N 1.59 5.20 -0.10 5.90 0.15 -1.26 -0.99 113.70 124.19 1dqq s SER 54 Ca 0.54 2.27 0.02 0.00 0.70 0.00 0.00 55.95 59.48 1dqq s SER 54 Cb -0.23 -2.59 -0.02 0.00 -1.71 0.00 0.00 66.02 61.48 1dqq s SER 54 CO 0.18 -1.58 -0.15 -0.63 1.20 0.00 0.00 173.24 172.27 1dqq s ILE 55 N -1.80 2.93 0.19 6.45 -1.09 -1.25 -4.80 121.20 121.83 1dqq s ILE 55 Ca 0.74 -0.73 -0.33 0.00 -2.23 0.00 0.00 60.65 58.10 1dqq s ILE 55 Cb -0.27 -2.19 -0.14 0.00 -1.58 0.00 0.00 42.46 38.28 1dqq s ILE 55 CO 0.34 0.55 1.47 -0.24 -1.23 0.00 0.00 174.94 175.83 1dqq n SER 56 N 3.08 2.75 0.00 3.58 2.88 -1.26 -1.97 113.62 122.68 1dqq n SER 56 Ca -0.18 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 1dqq n SER 56 Cb 0.52 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 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 2.74 3.14 3.73 0.46 0.00 -1.26 -5.03 105.19 108.98 1dqq n GLY 57 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.93 3.93 0.61 -0.61 -1.09 -0.83 -4.99 121.20 116.29 1dqq s ILE 58 Ca 0.00 1.55 -0.18 0.00 -2.23 0.00 0.00 60.65 59.80 1dqq s ILE 58 Cb 0.00 -3.99 -0.06 0.00 -1.58 0.00 0.00 42.46 36.82 1dqq s ILE 58 CO 0.00 0.21 0.65 -2.65 -1.23 0.00 0.00 174.94 171.92 1dqq n PRO 59 N 2.92 0.56 -0.20 2.79 -0.02 -1.26 -4.90 135.00 134.89 1dqq n PRO 59 Ca 0.05 0.23 -0.04 0.00 -2.02 0.00 0.00 63.50 61.71 1dqq n PRO 59 Cb 0.46 -1.86 0.06 0.00 -0.02 0.00 0.00 33.50 32.14 1dqq n PRO 59 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1dqq h SER 60 N 0.16 0.57 0.00 2.55 0.02 -1.99 -2.84 113.55 112.03 1dqq h SER 60 Ca -0.46 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1dqq h SER 60 Cb 1.38 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1dqq h SER 60 CO 0.47 0.40 0.23 -2.11 -1.14 0.00 0.00 176.83 174.68 1dqq n ARG 61 N -4.76 0.06 -3.33 3.45 1.85 -1.26 -4.47 116.66 108.20 1dqq n ARG 61 Ca 0.05 0.49 -0.39 0.00 -1.00 0.00 0.00 57.85 57.00 1dqq n ARG 61 Cb 0.09 -1.94 -0.08 0.00 -1.05 0.00 0.00 32.46 29.48 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 -3.10 3.29 -0.02 2.89 0.08 -1.07 -1.56 117.98 118.48 1dqq s PHE 62 Ca -0.01 0.55 -0.12 0.00 0.12 0.00 0.00 56.93 57.47 1dqq s PHE 62 Cb 0.03 -2.62 0.02 0.00 -0.57 0.00 0.00 43.02 39.88 1dqq s PHE 62 CO 0.08 -0.19 0.25 -1.54 -0.10 0.00 0.00 175.22 173.73 1dqq s SER 63 N 1.44 -0.14 0.13 1.36 1.04 -0.67 -4.99 113.70 111.89 1dqq s SER 63 Ca 0.18 0.05 0.07 0.00 0.48 0.00 0.00 55.95 56.74 1dqq s SER 63 Cb -0.15 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.24 1dqq s SER 63 CO 0.09 -0.38 -0.16 -0.83 0.98 0.00 0.00 173.24 172.94 1dqq s GLY 64 N -1.16 1.19 0.21 7.32 0.00 -1.26 -0.20 107.32 113.43 1dqq s GLY 64 Ca -0.12 -1.35 -0.14 0.00 0.00 0.00 0.00 44.72 43.11 1dqq s GLY 64 CO 0.03 -1.41 0.46 -1.35 0.00 0.00 0.00 173.10 170.84 1dqq s SER 65 N -2.48 -0.12 0.00 1.64 1.04 -0.77 -4.06 113.70 108.94 1dqq s SER 65 Ca 0.11 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.78 1dqq s SER 65 Cb -0.06 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1dqq s SER 65 CO 0.04 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.80 1dqq n GLY 66 N -0.34 2.03 3.59 7.32 0.00 -1.26 -1.40 105.19 115.12 1dqq n GLY 66 Ca -0.06 -2.20 -0.05 0.00 0.00 0.00 0.00 46.02 43.71 1dqq n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1dqq s SER 67 N 0.00 -0.18 0.19 1.61 0.15 -0.35 -4.88 113.70 110.23 1dqq s SER 67 Ca 0.00 0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.72 1dqq s SER 67 Cb 0.00 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 1dqq s SER 67 CO 0.00 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.78 1dqq n GLY 68 N 0.10 1.69 0.00 9.45 0.00 0.16 -2.97 105.19 113.62 1dqq n GLY 68 Ca -0.02 0.09 0.02 0.00 0.00 0.00 0.00 46.02 46.10 1dqq n GLY 68 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1dqq n THR 69 N 0.00 0.00 -4.85 2.61 -1.04 -1.26 -0.08 114.28 109.66 1dqq n THR 69 Ca 0.00 -0.31 -0.33 0.00 -2.04 0.00 0.00 64.05 61.37 1dqq n THR 69 Cb 0.00 0.82 -0.16 0.00 -1.82 0.00 0.00 70.33 69.17 1dqq n THR 69 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1dqq s ASP 70 N -1.64 3.42 0.02 8.00 -0.00 -1.16 -1.87 116.67 123.44 1dqq s ASP 70 Ca 0.00 -0.50 -0.00 0.00 -0.00 0.00 0.00 52.55 52.05 1dqq s ASP 70 Cb 0.02 -1.49 -0.02 0.00 -0.00 0.00 0.00 42.92 41.43 1dqq s ASP 70 CO 0.13 0.13 -0.03 -0.36 -0.00 0.00 0.00 175.17 175.04 1dqq s PHE 71 N 0.56 0.26 -0.04 4.23 0.40 -0.92 -1.21 117.98 121.26 1dqq s PHE 71 Ca -0.12 -0.53 -0.04 0.00 -0.60 0.00 0.00 56.93 55.65 1dqq s PHE 71 Cb -0.16 -0.19 0.01 0.00 0.51 0.00 0.00 43.02 43.19 1dqq s PHE 71 CO 0.04 -0.19 0.11 -0.08 0.70 0.00 0.00 175.22 175.80 1dqq s THR 72 N -1.49 -0.01 -0.17 0.64 -1.32 -0.50 -1.96 115.64 110.83 1dqq s THR 72 Ca -0.16 0.02 -0.03 0.00 -1.21 0.00 0.00 61.69 60.31 1dqq s THR 72 Cb -0.10 -0.17 -0.02 0.00 -1.51 0.00 0.00 72.50 70.70 1dqq s THR 72 CO -0.01 0.01 -0.05 -0.22 -2.21 0.00 0.00 174.62 172.13 1dqq s LEU 73 N 0.19 3.06 -0.09 9.08 2.96 0.21 -1.84 118.68 132.25 1dqq s LEU 73 Ca -0.01 -0.23 0.03 0.00 -0.22 0.00 0.00 54.13 53.70 1dqq s LEU 73 Cb -0.02 -1.74 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 1dqq s LEU 73 CO -0.01 0.12 -0.18 -0.44 -1.32 0.00 0.00 176.35 174.52 1dqq s SER 74 N 0.65 3.60 -0.30 3.68 0.01 0.71 0.42 113.70 122.47 1dqq s SER 74 Ca -0.03 -0.39 0.03 0.00 1.31 0.00 0.00 55.95 56.87 1dqq s SER 74 Cb -0.15 -1.20 0.08 0.00 0.21 0.00 0.00 66.02 64.97 1dqq s SER 74 CO 0.02 0.22 -0.01 -0.63 0.41 0.00 0.00 173.24 173.26 1dqq s ILE 75 N -0.02 2.10 -0.24 1.44 1.01 0.01 -1.66 121.20 123.83 1dqq s ILE 75 Ca -0.05 -1.97 -0.25 0.00 0.00 0.00 0.00 60.65 58.37 1dqq s ILE 75 Cb -0.15 -2.42 -0.00 0.00 0.01 0.00 0.00 42.46 39.90 1dqq s ILE 75 CO 0.05 -0.38 0.86 0.20 0.00 0.00 0.00 174.94 175.67 1dqq s ASN 76 N 1.05 6.87 -0.57 3.58 0.01 -0.60 -0.77 114.94 124.51 1dqq s ASN 76 Ca 0.03 1.08 -0.01 0.00 -0.71 0.00 0.00 52.86 53.25 1dqq s ASN 76 Cb -0.19 -2.45 0.00 0.00 0.41 0.00 0.00 41.25 39.02 1dqq s ASN 76 CO -0.08 -0.54 0.55 -0.24 -1.51 0.00 0.00 177.10 175.28 1dqq n SER 77 N 6.06 -6.61 -4.69 -1.22 2.88 -0.94 -4.69 113.62 104.41 1dqq n SER 77 Ca 0.06 -0.02 -0.43 0.00 -1.33 0.00 0.00 58.87 57.15 1dqq n SER 77 Cb 0.47 -4.43 -0.02 0.00 -0.75 0.00 0.00 64.21 59.49 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 -1.52 1.36 -3.50 2.46 0.31 0.26 -4.53 118.33 113.18 1dqq n VAL 78 Ca 0.01 -0.34 -0.20 0.00 -0.01 0.00 0.00 64.34 63.80 1dqq n VAL 78 Cb 0.49 -1.59 -0.02 0.00 -0.91 0.00 0.00 33.84 31.81 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 -0.99 2.69 0.55 5.55 2.02 -1.26 -0.07 118.70 127.19 1dqq s GLU 79 Ca 0.63 -1.37 0.24 0.00 0.02 0.00 0.00 54.97 54.48 1dqq s GLU 79 Cb -0.59 -2.52 1.54 0.00 0.10 0.00 0.00 34.13 32.66 1dqq s GLU 79 CO 0.54 -0.12 2.18 1.79 0.02 0.00 0.00 175.26 179.67 1dqq h THR 80 N 0.99 0.74 -0.01 3.63 1.35 -1.99 -1.97 112.91 115.64 1dqq h THR 80 Ca -0.42 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 1dqq h THR 80 Cb 1.27 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1dqq h THR 80 CO 0.55 0.03 -0.01 -1.84 -0.25 0.00 0.00 175.52 173.99 1dqq n GLU 81 N -4.09 1.27 0.00 4.72 0.28 -1.26 -3.82 120.64 117.74 1dqq n GLU 81 Ca -0.03 -0.46 0.12 0.00 -0.16 0.00 0.00 57.16 56.63 1dqq n GLU 81 Cb 0.11 -1.49 0.29 0.00 1.43 0.00 0.00 31.44 31.78 1dqq n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1dqq n ASP 82 N -0.46 0.64 -4.77 -1.84 8.00 -0.74 -4.91 116.55 112.46 1dqq n ASP 82 Ca 0.21 -0.42 -0.39 0.00 0.71 0.00 0.00 54.79 54.90 1dqq n ASP 82 Cb 0.24 0.22 -0.02 0.00 -0.02 0.00 0.00 41.12 41.53 1dqq n ASP 82 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1dqq s PHE 83 N -2.86 3.11 -5.00 1.24 0.40 -1.25 -4.87 117.98 108.75 1dqq s PHE 83 Ca 0.15 1.53 0.00 0.00 -0.60 0.00 0.00 56.93 58.01 1dqq s PHE 83 Cb 0.18 -3.47 0.00 0.00 0.51 0.00 0.00 43.02 40.24 1dqq s PHE 83 CO 0.65 -1.40 0.00 0.41 0.70 0.00 0.00 175.22 175.58 1dqq n GLY 84 N 0.75 0.40 3.88 4.36 0.00 -0.55 -4.92 105.19 109.12 1dqq n GLY 84 Ca 0.02 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 44.16 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 3.65 -0.08 1.61 -1.94 -0.66 -0.39 119.30 119.49 1dqq s MET 85 Ca 0.00 -0.01 0.01 0.00 -1.71 0.00 0.00 55.69 53.98 1dqq s MET 85 Cb 0.00 -2.98 0.02 0.00 2.01 0.00 0.00 34.83 33.87 1dqq s MET 85 CO 0.00 0.57 -0.10 0.71 -0.01 0.00 0.00 175.02 176.19 1dqq s TYR 86 N -1.44 1.41 0.14 -0.03 1.51 -0.81 -0.68 117.35 117.44 1dqq s TYR 86 Ca 0.33 -0.60 0.09 0.00 -1.01 0.00 0.00 57.07 55.89 1dqq s TYR 86 Cb -0.13 -1.11 -0.04 0.00 -0.11 0.00 0.00 41.96 40.57 1dqq s TYR 86 CO 0.20 -0.37 -0.21 -0.06 -1.11 0.00 0.00 175.55 174.00 1dqq s PHE 87 N 1.12 1.89 0.12 2.71 0.40 -0.34 -0.55 117.98 123.33 1dqq s PHE 87 Ca -0.06 -0.43 0.09 0.00 -0.60 0.00 0.00 56.93 55.93 1dqq s PHE 87 Cb -0.14 -0.99 -0.04 0.00 0.51 0.00 0.00 43.02 42.35 1dqq s PHE 87 CO -0.02 0.29 -0.17 0.00 0.70 0.00 0.00 175.22 176.03 1dqq s GLN 89 N -2.17 0.03 -0.04 0.00 0.74 0.40 -0.61 119.66 118.02 1dqq s GLN 89 Ca 0.19 0.09 -0.01 0.00 0.05 0.00 0.00 55.36 55.67 1dqq s GLN 89 Cb -0.11 -0.03 -0.04 0.00 1.10 0.00 0.00 33.01 33.93 1dqq s GLN 89 CO 0.11 -0.04 0.06 1.14 -0.55 0.00 0.00 175.29 176.01 1dqq s GLN 90 N 0.25 3.06 -0.11 1.67 1.03 -0.46 -0.58 119.66 124.53 1dqq s GLN 90 Ca -0.02 -0.43 0.15 0.00 0.04 0.00 0.00 55.36 55.10 1dqq s GLN 90 Cb -0.03 -2.87 0.32 0.00 0.03 0.00 0.00 33.01 30.46 1dqq s GLN 90 CO -0.01 0.68 1.15 -1.13 -2.54 0.00 0.00 175.29 173.44 1dqq n SER 91 N 1.56 1.45 -0.02 12.60 3.41 -0.63 -3.10 113.62 128.89 1dqq n SER 91 Ca -0.16 -2.97 -0.16 0.00 -0.26 0.00 0.00 58.87 55.32 1dqq n SER 91 Cb 0.53 -0.40 -0.13 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 0.57 0.23 -4.24 4.04 -0.73 -1.86 -3.47 115.58 110.12 1dqq h ASN 92 Ca -0.05 -0.92 -0.38 0.00 1.87 0.00 0.00 56.30 56.82 1dqq h ASN 92 Cb 1.26 -0.07 -0.26 0.00 0.27 0.00 0.00 38.32 39.51 1dqq h ASN 92 CO 0.02 1.13 -0.77 -0.44 -0.37 0.00 0.00 177.43 177.00 1dqq s SER 93 N -6.51 1.15 0.13 1.15 0.01 -1.26 -5.13 113.70 103.24 1dqq s SER 93 Ca -0.16 -0.31 -0.25 0.00 1.31 0.00 0.00 55.95 56.53 1dqq s SER 93 Cb -0.01 -0.08 -0.07 0.00 0.21 0.00 0.00 66.02 66.07 1dqq s SER 93 CO 0.75 0.03 0.78 0.86 0.41 0.00 0.00 173.24 176.07 1dqq s TRP 94 N -0.60 3.86 0.38 2.43 -0.11 -1.26 -3.41 118.94 120.23 1dqq s TRP 94 Ca 0.00 1.60 -0.25 0.00 1.22 0.00 0.00 56.10 58.67 1dqq s TRP 94 Cb -0.06 -2.80 -0.09 0.00 -1.50 0.00 0.00 33.47 29.03 1dqq s TRP 94 CO 0.00 0.44 1.13 -1.25 -4.62 0.00 0.00 176.95 172.64 1dqq s PRO 95 N -0.79 4.16 0.34 5.86 0.04 -1.26 -4.85 135.00 138.50 1dqq s PRO 95 Ca 0.37 1.74 -0.27 0.00 0.04 0.00 0.00 61.00 62.88 1dqq s PRO 95 Cb -0.22 -2.71 -0.09 0.00 0.04 0.00 0.00 34.50 31.52 1dqq s PRO 95 CO 0.26 -0.20 1.19 0.71 0.04 0.00 0.00 177.00 178.99 1dqq s TYR 96 N -1.45 3.22 0.11 0.56 4.12 -1.22 -4.48 117.35 118.21 1dqq s TYR 96 Ca 0.56 1.56 0.03 0.00 0.02 0.00 0.00 57.07 59.24 1dqq s TYR 96 Cb -0.28 -3.44 -0.04 0.00 -1.52 0.00 0.00 41.96 36.68 1dqq s TYR 96 CO 0.36 -1.23 -0.09 0.95 0.02 0.00 0.00 175.55 175.56 1dqq s THR 97 N -1.26 0.94 0.10 -0.71 -4.23 -1.18 -4.98 115.64 104.32 1dqq s THR 97 Ca 0.51 -1.88 0.06 0.00 -1.18 0.00 0.00 61.69 59.20 1dqq s THR 97 Cb -0.34 -1.63 -0.04 0.00 1.34 0.00 0.00 72.50 71.84 1dqq s THR 97 CO 0.43 -0.72 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.38 1dqq s PHE 98 N -3.12 2.85 0.86 3.99 0.40 -1.26 -1.35 117.98 120.35 1dqq s PHE 98 Ca 0.11 -0.10 -0.13 0.00 -0.60 0.00 0.00 56.93 56.21 1dqq s PHE 98 Cb 0.02 -1.47 0.11 0.00 0.51 0.00 0.00 43.02 42.19 1dqq s PHE 98 CO -0.01 0.46 1.21 0.20 0.70 0.00 0.00 175.22 177.78 1dqq s GLY 99 N -2.31 1.64 0.11 4.36 0.00 0.22 -4.60 107.32 106.74 1dqq s GLY 99 Ca 0.24 -0.79 0.18 0.00 0.00 0.00 0.00 44.72 44.36 1dqq s GLY 99 CO 0.16 -0.22 1.57 0.61 0.00 0.00 0.00 173.10 175.23 1dqq n GLY 100 N -3.36 -1.12 0.00 0.20 0.00 -1.25 -4.71 105.19 94.95 1dqq n GLY 100 Ca 0.10 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.01 -1.23 3.02 -0.02 0.00 -1.26 -5.01 105.19 100.70 1dqq n GLY 101 Ca 0.03 -1.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.30 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 -3.35 1.54 -0.10 2.61 2.01 0.28 -4.83 115.64 113.81 1dqq s THR 102 Ca 0.00 -0.62 -0.27 0.00 0.31 0.00 0.00 61.69 61.11 1dqq s THR 102 Cb 0.00 -1.44 -0.02 0.00 0.01 0.00 0.00 72.50 71.05 1dqq s THR 102 CO 0.00 0.45 0.87 -0.75 -0.69 0.00 0.00 174.62 174.50 1dqq s LYS 103 N 1.43 4.41 -0.37 4.92 2.20 -0.56 -1.93 119.74 129.85 1dqq s LYS 103 Ca 0.03 1.15 -0.11 0.00 -0.36 0.00 0.00 55.97 56.68 1dqq s LYS 103 Cb -0.13 -3.51 0.03 0.00 -1.51 0.00 0.00 37.83 32.70 1dqq s LYS 103 CO -0.09 -0.18 0.20 -1.17 -0.36 0.00 0.00 175.35 173.75 1dqq s LEU 104 N 1.57 4.65 0.30 5.43 0.20 0.48 0.25 118.68 131.56 1dqq s LEU 104 Ca 0.43 -0.96 0.09 0.00 0.69 0.00 0.00 54.13 54.38 1dqq s LEU 104 Cb -0.18 -2.01 -0.05 0.00 -0.43 0.00 0.00 46.19 43.52 1dqq s LEU 104 CO 0.18 -0.37 0.01 -1.83 -0.29 0.00 0.00 176.35 174.05 1dqq s GLU 105 N 1.55 2.18 -0.09 1.98 -1.05 0.72 -1.48 118.70 122.52 1dqq s GLU 105 Ca 0.02 -1.57 -0.21 0.00 -0.15 0.00 0.00 54.97 53.06 1dqq s GLU 105 Cb -0.19 -2.06 -0.04 0.00 -0.44 0.00 0.00 34.13 31.41 1dqq s GLU 105 CO 0.06 0.25 0.59 -1.50 0.95 0.00 0.00 175.26 175.62 1dqq s ILE 106 N -2.42 5.11 0.34 1.83 2.07 -1.26 -1.77 121.20 125.11 1dqq s ILE 106 Ca 0.33 1.21 -0.24 0.00 -1.41 0.00 0.00 60.65 60.54 1dqq s ILE 106 Cb -0.04 -3.93 -0.10 0.00 0.13 0.00 0.00 42.46 38.52 1dqq s ILE 106 CO 0.20 0.29 0.92 -0.75 -1.91 0.00 0.00 174.94 173.69 1dqq s LYS 107 N 0.72 4.45 0.27 3.50 2.20 -0.29 -4.81 119.74 125.77 1dqq s LYS 107 Ca 0.32 1.22 -0.09 0.00 -0.36 0.00 0.00 55.97 57.06 1dqq s LYS 107 Cb -0.16 -2.64 -0.00 0.00 -1.51 0.00 0.00 37.83 33.51 1dqq s LYS 107 CO 0.14 0.21 0.45 -0.98 -0.36 0.00 0.00 175.35 174.81 1dqq s ARG 108 N -2.36 1.62 0.45 4.03 1.70 -1.26 -4.84 118.95 118.30 1dqq s ARG 108 Ca 0.53 -1.41 -0.24 0.00 -0.47 0.00 0.00 55.73 54.13 1dqq s ARG 108 Cb -0.16 0.45 -0.08 0.00 -0.57 0.00 0.00 34.95 34.60 1dqq s ARG 108 CO 0.21 -0.67 1.31 0.00 -1.08 0.00 0.00 175.30 175.07 1dqq s ALA 109 N -3.75 3.11 0.53 7.88 0.00 -1.26 -4.93 121.76 123.34 1dqq s ALA 109 Ca 0.26 1.24 -0.23 0.00 0.00 0.00 0.00 51.96 53.23 1dqq s ALA 109 Cb 0.00 -3.50 -0.06 0.00 0.00 0.00 0.00 23.12 19.56 1dqq s ALA 109 CO 0.12 -0.97 1.38 -0.51 0.00 0.00 0.00 175.76 175.78 1dqq s ASP 110 N -0.85 5.37 -0.02 0.00 1.01 -1.26 -4.80 116.67 116.11 1dqq s ASP 110 Ca 0.62 2.82 -0.00 0.00 0.71 0.00 0.00 52.55 56.70 1dqq s ASP 110 Cb -0.38 -2.64 0.03 0.00 1.01 0.00 0.00 42.92 40.94 1dqq s ASP 110 CO 0.47 -1.51 0.03 0.00 0.21 0.00 0.00 175.17 174.38 1dqq s ALA 111 N -1.27 0.13 0.39 5.23 0.00 0.69 -4.90 121.76 122.03 1dqq s ALA 111 Ca 0.69 0.28 -0.25 0.00 0.00 0.00 0.00 51.96 52.69 1dqq s ALA 111 Cb -0.42 -0.29 -0.09 0.00 0.00 0.00 0.00 23.12 22.33 1dqq s ALA 111 CO 0.50 -0.13 1.09 0.00 0.00 0.00 0.00 175.76 177.22 1dqq s ALA 112 N 1.15 3.12 0.49 0.00 0.00 -1.26 -0.94 121.76 124.32 1dqq s ALA 112 Ca -0.08 0.80 -0.20 0.00 0.00 0.00 0.00 51.96 52.48 1dqq s ALA 112 Cb -0.13 -3.31 -0.08 0.00 0.00 0.00 0.00 23.12 19.59 1dqq s ALA 112 CO -0.03 -0.32 1.02 -1.25 0.00 0.00 0.00 175.76 175.19 1dqq s PRO 113 N -2.35 3.84 -0.34 0.00 0.04 -1.26 -4.52 135.00 130.40 1dqq s PRO 113 Ca 0.57 1.29 -0.13 0.00 0.04 0.00 0.00 61.00 62.76 1dqq s PRO 113 Cb -0.26 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.16 1dqq s PRO 113 CO 0.32 -0.39 0.27 0.99 0.04 0.00 0.00 177.00 178.23 1dqq s THR 114 N -2.09 5.26 -0.19 1.26 2.01 -0.52 -4.86 115.64 116.52 1dqq s THR 114 Ca 0.66 -0.15 -0.08 0.00 0.31 0.00 0.00 61.69 62.42 1dqq s THR 114 Cb -0.15 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 1dqq s THR 114 CO 0.21 -0.03 0.08 -0.69 -0.69 0.00 0.00 174.62 173.49 1dqq s VAL 115 N 1.80 4.91 -0.04 3.82 1.01 -1.26 -1.15 120.40 129.49 1dqq s VAL 115 Ca 0.07 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.08 1dqq s VAL 115 Cb -0.17 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 33.00 1dqq s VAL 115 CO 0.11 0.46 -0.08 -0.44 0.00 0.00 0.00 175.10 175.14 1dqq s SER 116 N 0.38 1.24 -0.06 3.32 0.01 -0.13 -4.95 113.70 113.51 1dqq s SER 116 Ca 0.04 -0.19 0.03 0.00 1.31 0.00 0.00 55.95 57.14 1dqq s SER 116 Cb -0.12 -0.50 -0.02 0.00 0.21 0.00 0.00 66.02 65.58 1dqq s SER 116 CO -0.00 0.01 -0.15 -0.51 0.41 0.00 0.00 173.24 173.00 1dqq s ILE 117 N 0.58 3.03 -0.07 1.44 2.07 -1.26 -0.60 121.20 126.39 1dqq s ILE 117 Ca -0.09 -0.73 0.02 0.00 -1.41 0.00 0.00 60.65 58.43 1dqq s ILE 117 Cb -0.13 -2.19 0.02 0.00 0.13 0.00 0.00 42.46 40.29 1dqq s ILE 117 CO 0.01 0.58 -0.11 -0.36 -1.91 0.00 0.00 174.94 173.16 1dqq s PHE 118 N -0.62 1.38 0.84 3.50 0.40 0.16 -5.00 117.98 118.63 1dqq s PHE 118 Ca 0.09 -0.53 -0.12 0.00 -0.60 0.00 0.00 56.93 55.77 1dqq s PHE 118 Cb -0.11 -1.05 0.10 0.00 0.51 0.00 0.00 43.02 42.47 1dqq s PHE 118 CO 0.01 -0.30 1.18 -1.25 0.70 0.00 0.00 175.22 175.55 1dqq s PRO 119 N 0.85 1.75 0.51 0.24 0.04 -1.26 -1.49 135.00 135.63 1dqq s PRO 119 Ca -0.11 0.13 -0.23 0.00 0.04 0.00 0.00 61.00 60.83 1dqq s PRO 119 Cb -0.15 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.40 1dqq s PRO 119 CO 0.02 -1.75 1.34 -2.14 0.04 0.00 0.00 177.00 174.51 1dqq s PRO 120 N -5.53 3.37 0.54 0.56 0.02 -1.22 -4.81 135.00 127.93 1dqq s PRO 120 Ca 0.63 2.20 -0.16 0.00 0.02 0.00 0.00 61.00 63.69 1dqq s PRO 120 Cb -0.11 -2.38 -0.07 0.00 0.02 0.00 0.00 34.50 31.96 1dqq s PRO 120 CO 0.50 -1.00 1.00 -1.54 -0.33 0.00 0.00 177.00 175.63 1dqq s SER 121 N -0.91 6.48 0.42 2.53 1.04 -1.26 -4.93 113.70 117.07 1dqq s SER 121 Ca 0.68 1.58 0.09 0.00 0.48 0.00 0.00 55.95 58.78 1dqq s SER 121 Cb -0.39 -2.51 0.90 0.00 0.10 0.00 0.00 66.02 64.12 1dqq s SER 121 CO 0.48 -0.69 2.03 0.77 0.98 0.00 0.00 173.24 176.81 1dqq h SER 122 N 0.72 0.32 -0.42 7.02 4.64 -1.99 -1.89 113.55 121.96 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 1.19 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 1dqq h SER 122 CO 0.61 0.30 0.23 -0.33 -0.87 0.00 0.00 176.83 176.77 1dqq h GLU 123 N 0.36 0.58 -0.36 4.77 3.07 -1.99 -2.08 114.58 118.94 1dqq h GLU 123 Ca 0.09 -0.07 -0.14 0.00 -0.50 0.00 0.00 59.36 58.75 1dqq h GLU 123 Cb 0.08 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 1dqq h GLU 123 CO -0.01 0.46 -0.31 0.37 -1.40 0.00 0.00 179.01 178.13 1dqq h GLN 124 N 0.54 0.84 -0.80 2.33 4.15 -1.74 -3.10 115.11 117.34 1dqq h GLN 124 Ca 0.15 -0.43 0.08 0.00 0.77 0.00 0.00 58.65 59.23 1dqq h GLN 124 Cb 0.05 0.01 -0.07 0.00 0.21 0.00 0.00 27.48 27.68 1dqq h GLN 124 CO -0.02 1.07 0.46 -0.07 -1.93 0.00 0.00 178.83 178.33 1dqq h LEU 125 N 0.64 0.67 -1.75 -2.39 3.38 -1.21 0.23 115.31 114.87 1dqq h LEU 125 Ca 0.06 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.17 1dqq h LEU 125 Cb 0.89 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 1dqq h LEU 125 CO 0.08 0.40 0.36 0.74 0.09 0.00 0.00 178.44 180.11 1dqq h THR 126 N 0.80 0.87 -0.00 0.22 2.02 -1.30 0.37 112.91 115.89 1dqq h THR 126 Ca 0.38 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.46 1dqq h THR 126 Cb 0.31 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1dqq h THR 126 CO -0.23 0.05 -0.07 -1.20 0.37 0.00 0.00 175.52 174.45 1dqq n SER 127 N -4.46 0.53 0.00 4.18 7.64 0.02 -4.91 113.62 116.62 1dqq n SER 127 Ca 0.08 -0.79 0.00 0.00 1.01 0.00 0.00 58.87 59.17 1dqq n SER 127 Cb 0.39 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 1dqq n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dqq n GLY 128 N 1.21 0.67 3.90 0.23 0.00 0.13 -5.06 105.19 106.27 1dqq n GLY 128 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.37 1.46 -0.42 -0.02 0.00 -0.93 -1.15 107.32 104.89 1dqq s GLY 129 Ca 0.00 -1.42 0.05 0.00 0.00 0.00 0.00 44.72 43.35 1dqq s GLY 129 CO 0.00 -1.41 0.47 0.00 0.00 0.00 0.00 173.10 172.16 1dqq s ALA 130 N -2.13 -0.43 -0.23 3.20 0.00 -0.13 -3.01 121.76 119.04 1dqq s ALA 130 Ca 0.37 -1.22 -0.17 0.00 0.00 0.00 0.00 51.96 50.94 1dqq s ALA 130 Cb -0.08 -2.13 -0.03 0.00 0.00 0.00 0.00 23.12 20.88 1dqq s ALA 130 CO 0.28 -2.13 0.45 -1.12 0.00 0.00 0.00 175.76 173.24 1dqq s SER 131 N 0.88 6.44 -0.30 0.00 0.01 -1.26 -1.22 113.70 118.25 1dqq s SER 131 Ca 0.25 0.52 -0.10 0.00 1.31 0.00 0.00 55.95 57.93 1dqq s SER 131 Cb -0.05 -2.25 -0.03 0.00 0.21 0.00 0.00 66.02 63.90 1dqq s SER 131 CO -0.08 -0.17 0.17 -0.69 0.41 0.00 0.00 173.24 172.88 1dqq s VAL 132 N 1.75 4.92 -0.11 3.43 1.01 0.21 -3.40 120.40 128.21 1dqq s VAL 132 Ca 0.20 -0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 1dqq s VAL 132 Cb -0.15 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 1dqq s VAL 132 CO 0.09 0.15 0.02 -0.69 0.00 0.00 0.00 175.10 174.67 1dqq s VAL 133 N 1.68 4.49 -0.10 2.92 1.01 -0.55 -0.98 120.40 128.87 1dqq s VAL 133 Ca 0.06 -0.17 -0.00 0.00 0.00 0.00 0.00 61.98 61.87 1dqq s VAL 133 Cb -0.16 -2.92 0.02 0.00 0.00 0.00 0.00 36.38 33.31 1dqq s VAL 133 CO 0.08 0.57 -0.07 0.00 0.00 0.00 0.00 175.10 175.69 1dqq s PHE 135 N 1.58 3.32 -0.35 0.00 0.08 0.24 -0.78 117.98 122.07 1dqq s PHE 135 Ca 0.02 0.25 0.02 0.00 0.12 0.00 0.00 56.93 57.34 1dqq s PHE 135 Cb -0.13 -1.95 0.11 0.00 -0.57 0.00 0.00 43.02 40.48 1dqq s PHE 135 CO -0.06 0.43 0.10 -0.51 -0.10 0.00 0.00 175.22 175.08 1dqq s LEU 136 N -0.44 3.71 0.12 -0.37 1.02 0.15 -0.95 118.68 121.92 1dqq s LEU 136 Ca 0.10 -2.10 0.05 0.00 0.02 0.00 0.00 54.13 52.20 1dqq s LEU 136 Cb -0.12 -1.33 -0.04 0.00 0.02 0.00 0.00 46.19 44.73 1dqq s LEU 136 CO 0.02 -0.37 0.04 0.20 0.02 0.00 0.00 176.35 176.26 1dqq s ASN 137 N 0.99 5.18 -1.15 2.29 0.01 -0.30 -0.82 114.94 121.14 1dqq s ASN 137 Ca 0.12 -0.18 -0.24 0.00 -0.71 0.00 0.00 52.86 51.84 1dqq s ASN 137 Cb -0.19 -1.27 0.00 0.00 0.41 0.00 0.00 41.25 40.20 1dqq s ASN 137 CO -0.12 0.13 0.77 0.59 -1.51 0.00 0.00 177.10 176.96 1dqq n ASN 138 N 0.20 -5.09 -4.54 -1.22 4.13 -0.78 -1.44 115.26 106.51 1dqq n ASN 138 Ca -0.10 -1.08 -0.25 0.00 1.68 0.00 0.00 54.58 54.84 1dqq n ASN 138 Cb 0.53 -2.99 -0.10 0.00 -1.54 0.00 0.00 39.78 35.68 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 -3.47 2.42 -0.26 3.10 -0.71 0.58 -4.56 117.98 115.08 1dqq s PHE 139 Ca 0.48 -0.40 -0.23 0.00 -1.04 0.00 0.00 56.93 55.74 1dqq s PHE 139 Cb -0.19 -1.24 0.07 0.00 -1.21 0.00 0.00 43.02 40.44 1dqq s PHE 139 CO 0.89 0.62 0.69 -0.47 -1.34 0.00 0.00 175.22 175.60 1dqq s TYR 140 N -2.53 -0.79 1.17 3.49 6.14 -0.12 -0.56 117.35 124.17 1dqq s TYR 140 Ca 0.32 1.87 -0.18 0.00 0.64 0.00 0.00 57.07 59.72 1dqq s TYR 140 Cb -0.02 0.30 0.27 0.00 0.42 0.00 0.00 41.96 42.93 1dqq s TYR 140 CO 0.17 -0.38 1.12 -1.25 0.64 0.00 0.00 175.55 175.84 1dqq s PRO 141 N 0.50 -1.00 0.47 4.97 0.04 -1.26 -0.22 135.00 138.50 1dqq s PRO 141 Ca -0.01 -0.02 0.21 0.00 0.04 0.00 0.00 61.00 61.22 1dqq s PRO 141 Cb -0.05 -1.62 1.18 0.00 0.04 0.00 0.00 34.50 34.05 1dqq s PRO 141 CO -0.01 -3.57 1.99 -0.22 0.04 0.00 0.00 177.00 175.23 1dqq h LYS 142 N -2.48 0.00 -6.29 4.56 3.64 -1.97 -3.44 116.57 110.59 1dqq h LYS 142 Ca -0.46 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.38 1dqq h LYS 142 Cb 1.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1dqq h LYS 142 CO 0.37 0.19 1.19 -0.51 -2.27 0.00 0.00 179.45 178.42 1dqq s ASP 143 N -6.50 6.45 -0.11 4.20 1.01 -1.26 -4.96 116.67 115.50 1dqq s ASP 143 Ca -0.03 2.39 -0.24 0.00 0.71 0.00 0.00 52.55 55.38 1dqq s ASP 143 Cb 0.14 -2.53 0.06 0.00 1.01 0.00 0.00 42.92 41.59 1dqq s ASP 143 CO 0.64 -1.09 0.57 -0.51 0.21 0.00 0.00 175.17 174.99 1dqq s ILE 144 N 4.64 0.01 -0.07 0.77 2.07 -1.26 -4.64 121.20 122.72 1dqq s ILE 144 Ca 0.83 -0.10 0.05 0.00 -1.41 0.00 0.00 60.65 60.02 1dqq s ILE 144 Cb -0.37 -0.85 -0.01 0.00 0.13 0.00 0.00 42.46 41.36 1dqq s ILE 144 CO 0.36 -0.06 -0.24 0.21 -1.91 0.00 0.00 174.94 173.30 1dqq s ASN 145 N -0.66 2.98 -0.10 4.50 2.47 -0.85 -5.00 114.94 118.29 1dqq s ASN 145 Ca -0.07 -0.51 0.04 0.00 0.42 0.00 0.00 52.86 52.73 1dqq s ASN 145 Cb -0.03 -0.97 0.00 0.00 -1.45 0.00 0.00 41.25 38.80 1dqq s ASN 145 CO 0.05 0.21 -0.23 -0.69 -3.72 0.00 0.00 177.10 172.72 1dqq s VAL 146 N -0.00 1.99 -0.06 -5.21 1.01 -1.26 -0.58 120.40 116.29 1dqq s VAL 146 Ca -0.08 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 60.97 1dqq s VAL 146 Cb -0.15 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 1dqq s VAL 146 CO 0.05 0.55 -0.22 -0.54 0.00 0.00 0.00 175.10 174.93 1dqq s LYS 147 N 0.38 2.41 -0.14 2.72 1.02 0.57 -4.96 119.74 121.73 1dqq s LYS 147 Ca -0.18 -0.81 -0.06 0.00 0.02 0.00 0.00 55.97 54.94 1dqq s LYS 147 Cb -0.18 -2.00 -0.04 0.00 -0.52 0.00 0.00 37.83 35.09 1dqq s LYS 147 CO 0.08 0.30 0.06 -1.58 -0.92 0.00 0.00 175.35 173.30 1dqq s TRP 148 N -0.01 3.30 -0.05 3.18 0.52 -1.26 -0.53 118.94 124.09 1dqq s TRP 148 Ca -0.06 0.20 0.03 0.00 0.02 0.00 0.00 56.10 56.28 1dqq s TRP 148 Cb -0.14 -1.96 0.01 0.00 -1.15 0.00 0.00 33.47 30.22 1dqq s TRP 148 CO 0.04 0.37 -0.13 0.15 0.02 0.00 0.00 176.95 177.40 1dqq s LYS 149 N -0.29 1.56 -0.20 4.98 1.02 -0.30 -0.03 119.74 126.48 1dqq s LYS 149 Ca 0.08 -0.45 0.00 0.00 0.02 0.00 0.00 55.97 55.63 1dqq s LYS 149 Cb -0.12 -1.34 0.02 0.00 -0.52 0.00 0.00 37.83 35.87 1dqq s LYS 149 CO 0.02 0.11 -0.15 0.42 -0.92 0.00 0.00 175.35 174.82 1dqq s ILE 150 N 0.37 2.35 -1.59 2.17 1.01 0.53 -0.54 121.20 125.50 1dqq s ILE 150 Ca -0.09 -0.93 -0.16 0.00 0.00 0.00 0.00 60.65 59.47 1dqq s ILE 150 Cb -0.13 -2.06 0.11 0.00 0.01 0.00 0.00 42.46 40.40 1dqq s ILE 150 CO 0.03 0.44 0.87 0.47 0.00 0.00 0.00 174.94 176.75 1dqq n ASP 151 N 4.64 -4.20 0.00 3.58 8.00 0.20 -1.09 116.55 127.68 1dqq n ASP 151 Ca -0.20 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.47 1dqq n ASP 151 Cb 0.49 -3.39 0.00 0.00 -0.02 0.00 0.00 41.12 38.21 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 -1.53 2.40 3.83 0.44 0.00 -1.26 -5.03 105.19 104.04 1dqq n GLY 152 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.72 6.37 0.35 1.61 0.01 -0.25 -5.00 113.70 114.07 1dqq s SER 153 Ca 0.00 0.44 -0.29 0.00 1.31 0.00 0.00 55.95 57.41 1dqq s SER 153 Cb 0.00 -2.09 -0.11 0.00 0.21 0.00 0.00 66.02 64.03 1dqq s SER 153 CO 0.00 0.33 1.38 -0.70 0.41 0.00 0.00 173.24 174.65 1dqq s GLU 154 N -0.58 4.26 -0.09 12.44 2.12 -1.26 -0.35 118.70 135.24 1dqq s GLU 154 Ca 0.14 2.35 0.03 0.00 0.36 0.00 0.00 54.97 57.84 1dqq s GLU 154 Cb -0.12 -3.03 0.01 0.00 0.26 0.00 0.00 34.13 31.24 1dqq s GLU 154 CO 0.03 -0.32 -0.17 0.50 -0.54 0.00 0.00 175.26 174.76 1dqq s ARG 155 N -1.86 2.30 -0.05 4.30 6.06 0.96 -4.86 118.95 125.80 1dqq s ARG 155 Ca 0.51 -0.61 0.02 0.00 -2.50 0.00 0.00 55.73 53.14 1dqq s ARG 155 Cb -0.42 -1.85 -0.04 0.00 0.06 0.00 0.00 34.95 32.70 1dqq s ARG 155 CO 0.56 0.05 -0.02 1.04 -2.50 0.00 0.00 175.30 174.43 1dqq n GLN 156 N 3.85 1.46 -2.74 5.12 6.02 -1.26 -4.17 117.38 125.66 1dqq n GLN 156 Ca -0.20 0.02 -0.39 0.00 -0.01 0.00 0.00 57.00 56.41 1dqq n GLN 156 Cb 0.52 -1.10 -0.06 0.00 1.02 0.00 0.00 30.24 30.61 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 -4.09 7.50 0.00 1.08 4.22 -1.26 -3.26 114.94 119.13 1dqq s ASN 157 Ca -0.05 1.94 0.00 0.00 -2.14 0.00 0.00 52.86 52.61 1dqq s ASN 157 Cb 0.02 -2.60 0.00 0.00 1.28 0.00 0.00 41.25 39.94 1dqq s ASN 157 CO 0.14 0.05 0.00 0.61 -2.04 0.00 0.00 177.10 175.86 1dqq n GLY 158 N 1.14 0.74 3.69 0.45 0.00 -1.26 -4.89 105.19 105.06 1dqq n GLY 158 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.65 5.21 -0.06 1.61 1.01 -1.20 -0.78 120.40 123.53 1dqq s VAL 159 Ca 0.00 0.73 0.02 0.00 0.00 0.00 0.00 61.98 62.73 1dqq s VAL 159 Cb 0.00 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.66 1dqq s VAL 159 CO 0.00 0.28 -0.11 -0.76 0.00 0.00 0.00 175.10 174.51 1dqq s LEU 160 N 1.07 1.62 0.14 3.92 1.02 -0.40 -4.97 118.68 121.08 1dqq s LEU 160 Ca 0.20 -0.28 0.07 0.00 0.02 0.00 0.00 54.13 54.14 1dqq s LEU 160 Cb -0.14 -0.78 -0.04 0.00 0.02 0.00 0.00 46.19 45.25 1dqq s LEU 160 CO 0.08 0.03 -0.06 0.20 0.02 0.00 0.00 176.35 176.61 1dqq s ASN 161 N 0.66 4.53 -0.08 2.29 0.02 -1.26 -0.55 114.94 120.55 1dqq s ASN 161 Ca -0.14 -0.41 -0.06 0.00 -1.02 0.00 0.00 52.86 51.23 1dqq s ASN 161 Cb -0.15 -0.89 0.03 0.00 0.02 0.00 0.00 41.25 40.25 1dqq s ASN 161 CO 0.03 0.14 0.21 -0.55 0.02 0.00 0.00 177.10 176.95 1dqq s SER 162 N -2.56 -0.21 0.05 -1.22 0.15 -0.19 -4.99 113.70 104.74 1dqq s SER 162 Ca 0.24 0.43 0.09 0.00 0.70 0.00 0.00 55.95 57.41 1dqq s SER 162 Cb -0.10 0.39 -0.03 0.00 -1.71 0.00 0.00 66.02 64.56 1dqq s SER 162 CO 0.16 -0.11 -0.24 0.26 1.20 0.00 0.00 173.24 174.51 1dqq s TRP 163 N 0.57 2.39 0.41 3.44 0.51 -1.26 -0.71 118.94 124.29 1dqq s TRP 163 Ca -0.04 -0.37 -0.02 0.00 -2.12 0.00 0.00 56.10 53.55 1dqq s TRP 163 Cb -0.05 -1.39 -0.03 0.00 -0.81 0.00 0.00 33.47 31.18 1dqq s TRP 163 CO -0.03 0.19 0.67 0.95 -0.51 0.00 0.00 176.95 178.21 1dqq s THR 164 N -0.87 5.01 0.82 2.01 -4.23 -0.71 -5.01 115.64 112.65 1dqq s THR 164 Ca 0.13 -0.13 -0.12 0.00 -1.18 0.00 0.00 61.69 60.39 1dqq s THR 164 Cb -0.10 -3.86 0.08 0.00 1.34 0.00 0.00 72.50 69.96 1dqq s THR 164 CO 0.03 -0.71 1.11 -1.81 -0.54 0.00 0.00 174.62 172.71 1dqq s ASP 165 N -4.07 4.35 0.23 3.99 -0.00 -1.26 -4.54 116.67 115.37 1dqq s ASP 165 Ca 0.44 1.17 -0.32 0.00 -0.00 0.00 0.00 52.55 53.84 1dqq s ASP 165 Cb -0.10 -1.85 -0.13 0.00 -0.00 0.00 0.00 42.92 40.84 1dqq s ASP 165 CO 0.40 -2.04 1.59 1.67 -0.00 0.00 0.00 175.17 176.79 1dqq n GLN 166 N -3.46 2.45 -2.01 8.23 7.27 -1.26 -4.78 117.38 123.82 1dqq n GLN 166 Ca 0.07 0.88 -0.42 0.00 0.07 0.00 0.00 57.00 57.60 1dqq n GLN 166 Cb 0.57 -2.65 -0.03 0.00 2.41 0.00 0.00 30.24 30.55 1dqq n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1dqq s ASP 167 N 0.73 6.67 0.00 1.69 -1.08 0.11 -4.89 116.67 119.90 1dqq s ASP 167 Ca 0.71 2.49 0.22 0.00 -0.52 0.00 0.00 52.55 55.45 1dqq s ASP 167 Cb -0.57 -2.58 1.11 0.00 -1.46 0.00 0.00 42.92 39.41 1dqq s ASP 167 CO 0.42 -0.79 1.71 -1.54 0.52 0.00 0.00 175.17 175.49 1dqq n SER 168 N 4.40 0.00 -0.12 -0.34 3.41 -1.26 -0.64 113.62 119.07 1dqq n SER 168 Ca 0.14 -0.02 -0.25 0.00 -0.26 0.00 0.00 58.87 58.48 1dqq n SER 168 Cb 0.40 -0.29 -0.08 0.00 -0.26 0.00 0.00 64.21 63.98 1dqq n SER 168 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1dqq n LYS 169 N -1.29 0.53 -0.02 4.33 3.00 -1.26 -4.73 118.16 118.72 1dqq n LYS 169 Ca 0.10 0.23 0.05 0.00 -0.00 0.00 0.00 58.31 58.70 1dqq n LYS 169 Cb 0.18 -1.39 0.06 0.00 0.00 0.00 0.00 35.03 33.87 1dqq n LYS 169 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1dqq n ASP 170 N -4.17 2.00 -0.91 3.14 5.68 -1.25 -5.00 116.55 116.05 1dqq n ASP 170 Ca -0.45 -1.51 -0.12 0.00 -0.50 0.00 0.00 54.79 52.21 1dqq n ASP 170 Cb 0.81 -0.03 -0.05 0.00 -1.14 0.00 0.00 41.12 40.71 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 0.56 -5.36 -4.92 -1.12 7.64 0.19 -4.97 113.62 105.64 1dqq n SER 171 Ca 0.07 0.29 -0.21 0.00 1.01 0.00 0.00 58.87 60.03 1dqq n SER 171 Cb 0.28 -3.90 0.05 0.00 -1.01 0.00 0.00 64.21 59.63 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 -2.13 2.54 0.21 0.44 -4.23 -1.26 -4.60 115.64 106.61 1dqq s THR 172 Ca 0.00 -0.76 0.11 0.00 -1.18 0.00 0.00 61.69 59.87 1dqq s THR 172 Cb 0.00 -2.78 -0.05 0.00 1.34 0.00 0.00 72.50 71.02 1dqq s THR 172 CO 0.00 0.00 -0.22 -0.31 -0.54 0.00 0.00 174.62 173.55 1dqq s TYR 173 N -2.76 2.31 0.04 3.99 2.02 0.28 -0.72 117.35 122.52 1dqq s TYR 173 Ca 0.60 -0.35 -0.02 0.00 -0.37 0.00 0.00 57.07 56.93 1dqq s TYR 173 Cb -0.08 -1.11 -0.03 0.00 -0.40 0.00 0.00 41.96 40.34 1dqq s TYR 173 CO 0.39 0.55 0.00 -1.12 -1.57 0.00 0.00 175.55 173.80 1dqq s SER 174 N -2.88 0.34 0.02 2.29 0.01 -1.26 -0.31 113.70 111.90 1dqq s SER 174 Ca 0.23 -0.74 -0.17 0.00 1.31 0.00 0.00 55.95 56.58 1dqq s SER 174 Cb -0.07 0.18 0.03 0.00 0.21 0.00 0.00 66.02 66.37 1dqq s SER 174 CO 0.11 -0.49 0.39 0.00 0.41 0.00 0.00 173.24 173.66 1dqq s MET 175 N -2.89 0.84 -0.03 12.44 0.23 0.00 -1.74 119.30 128.15 1dqq s MET 175 Ca -0.03 -0.28 0.07 0.00 -1.03 0.00 0.00 55.69 54.42 1dqq s MET 175 Cb 0.01 0.37 -0.02 0.00 -1.53 0.00 0.00 34.83 33.66 1dqq s MET 175 CO -0.06 -0.27 -0.24 -1.54 -2.03 0.00 0.00 175.02 170.88 1dqq s SER 176 N -1.75 3.23 -0.11 -1.18 1.04 0.11 -0.67 113.70 114.38 1dqq s SER 176 Ca -0.08 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1dqq s SER 176 Cb -0.02 -0.53 0.02 0.00 0.10 0.00 0.00 66.02 65.59 1dqq s SER 176 CO 0.00 0.31 -0.09 -0.55 0.98 0.00 0.00 173.24 173.89 1dqq s SER 177 N -0.54 2.13 -0.15 7.02 0.15 0.04 -1.02 113.70 121.33 1dqq s SER 177 Ca 0.08 -0.32 0.01 0.00 0.70 0.00 0.00 55.95 56.42 1dqq s SER 177 Cb -0.11 -0.87 0.02 0.00 -1.71 0.00 0.00 66.02 63.35 1dqq s SER 177 CO 0.00 -0.08 -0.16 -0.89 1.20 0.00 0.00 173.24 173.31 1dqq s THR 178 N 1.45 1.73 -0.41 6.45 2.01 0.29 -1.05 115.64 126.12 1dqq s THR 178 Ca 0.01 -0.74 -0.18 0.00 0.31 0.00 0.00 61.69 61.08 1dqq s THR 178 Cb -0.13 -1.59 0.02 0.00 0.01 0.00 0.00 72.50 70.80 1dqq s THR 178 CO -0.06 0.49 0.48 -0.22 -0.69 0.00 0.00 174.62 174.61 1dqq s LEU 179 N 1.32 4.73 -0.35 4.42 2.96 -0.15 -1.28 118.68 130.33 1dqq s LEU 179 Ca 0.03 -0.54 -0.12 0.00 -0.22 0.00 0.00 54.13 53.28 1dqq s LEU 179 Cb -0.13 -2.46 -0.00 0.00 0.50 0.00 0.00 46.19 44.10 1dqq s LEU 179 CO -0.10 -0.60 0.22 -0.89 -1.32 0.00 0.00 176.35 173.67 1dqq s THR 180 N 2.27 4.94 0.46 3.68 2.01 0.04 -0.62 115.64 128.42 1dqq s THR 180 Ca 0.14 -0.47 0.05 0.00 0.31 0.00 0.00 61.69 61.73 1dqq s THR 180 Cb -0.16 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 1dqq s THR 180 CO 0.14 -0.07 0.09 -0.76 -0.69 0.00 0.00 174.62 173.33 1dqq s LEU 181 N 1.65 2.73 0.35 4.42 1.43 -0.36 -4.74 118.68 124.16 1dqq s LEU 181 Ca 0.05 -1.38 0.02 0.00 -1.03 0.00 0.00 54.13 51.78 1dqq s LEU 181 Cb -0.18 -1.01 -0.03 0.00 0.03 0.00 0.00 46.19 45.01 1dqq s LEU 181 CO 0.08 -0.67 0.54 0.42 0.23 0.00 0.00 176.35 176.95 1dqq s THR 182 N -2.74 4.87 0.23 5.49 -4.23 -1.26 -0.95 115.64 117.04 1dqq s THR 182 Ca 0.27 -0.58 -0.08 0.00 -1.18 0.00 0.00 61.69 60.12 1dqq s THR 182 Cb 0.05 -3.77 0.20 0.00 1.34 0.00 0.00 72.50 70.31 1dqq s THR 182 CO 0.15 -0.46 1.89 0.50 -0.54 0.00 0.00 174.62 176.15 1dqq h LYS 183 N 0.76 1.08 -0.36 3.99 3.64 -1.33 -0.99 116.57 123.37 1dqq h LYS 183 Ca -0.49 -0.07 0.08 0.00 -1.27 0.00 0.00 60.65 58.90 1dqq h LYS 183 Cb 1.23 -0.24 -0.09 0.00 -0.41 0.00 0.00 32.23 32.72 1dqq h LYS 183 CO 0.60 0.72 -0.27 0.22 -2.27 0.00 0.00 179.45 178.44 1dqq h ASP 184 N 1.11 -0.90 0.06 4.20 1.82 -1.94 -0.43 116.42 120.35 1dqq h ASP 184 Ca 0.32 0.17 -0.18 0.00 -0.39 0.00 0.00 57.03 56.95 1dqq h ASP 184 Cb -0.09 0.44 -0.00 0.00 0.68 0.00 0.00 39.33 40.36 1dqq h ASP 184 CO -0.08 -0.29 -0.63 -0.33 -1.61 0.00 0.00 179.24 176.30 1dqq h GLU 185 N -0.22 0.55 -0.74 0.28 5.08 -1.88 -3.18 114.58 114.47 1dqq h GLU 185 Ca 0.17 -0.39 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1dqq h GLU 185 Cb 0.50 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 1dqq h GLU 185 CO -0.49 1.01 0.45 -0.92 -1.00 0.00 0.00 179.01 178.06 1dqq h TYR 186 N 0.40 0.97 -0.03 4.33 3.20 -0.61 -2.42 116.97 122.81 1dqq h TYR 186 Ca -0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1dqq h TYR 186 Cb 1.19 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 39.14 1dqq h TYR 186 CO 0.05 0.64 0.00 0.39 -1.64 0.00 0.00 178.16 177.60 1dqq n GLU 187 N -4.39 1.19 -0.20 1.82 1.02 -0.22 -3.15 120.64 116.71 1dqq n GLU 187 Ca 0.08 -0.28 0.12 0.00 -0.02 0.00 0.00 57.16 57.06 1dqq n GLU 187 Cb 0.06 -1.37 0.23 0.00 -0.02 0.00 0.00 31.44 30.34 1dqq n GLU 187 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1dqq n ARG 188 N -0.55 2.52 -4.23 3.49 1.74 -0.91 -4.94 116.66 113.79 1dqq n ARG 188 Ca 0.17 -2.30 -0.13 0.00 -0.77 0.00 0.00 57.85 54.82 1dqq n ARG 188 Cb 0.15 -1.52 -0.10 0.00 -1.02 0.00 0.00 32.46 29.96 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 -1.47 1.15 -0.06 -1.55 3.76 -1.19 -5.11 115.29 110.82 1dqq s HIS 189 Ca 0.40 -1.03 -0.06 0.00 -0.15 0.00 0.00 55.06 54.22 1dqq s HIS 189 Cb 0.23 -0.65 -0.04 0.00 1.11 0.00 0.00 32.58 33.23 1dqq s HIS 189 CO 0.32 -0.23 -0.13 -1.71 -0.85 0.00 0.00 174.74 172.13 1dqq n ASN 190 N -0.21 1.02 -4.74 1.40 5.15 -1.26 -4.79 115.26 111.84 1dqq n ASN 190 Ca -0.07 0.16 -0.38 0.00 -0.60 0.00 0.00 54.58 53.70 1dqq n ASN 190 Cb 0.63 -0.38 -0.06 0.00 -0.53 0.00 0.00 39.78 39.43 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 -5.96 6.65 -0.10 1.20 0.15 -1.26 -0.66 113.70 113.72 1dqq s SER 191 Ca -0.13 0.77 0.02 0.00 0.70 0.00 0.00 55.95 57.31 1dqq s SER 191 Cb 0.04 -2.26 0.01 0.00 -1.71 0.00 0.00 66.02 62.10 1dqq s SER 191 CO 0.18 0.06 -0.15 -0.31 1.20 0.00 0.00 173.24 174.21 1dqq s TYR 192 N 0.38 1.95 -0.02 3.44 1.51 -0.64 -0.63 117.35 123.35 1dqq s TYR 192 Ca 0.24 -0.90 0.03 0.00 -1.01 0.00 0.00 57.07 55.43 1dqq s TYR 192 Cb -0.15 -1.40 -0.00 0.00 -0.11 0.00 0.00 41.96 40.29 1dqq s TYR 192 CO 0.09 -0.46 -0.10 0.99 -1.11 0.00 0.00 175.55 174.96 1dqq s THR 193 N 0.94 0.84 -0.25 -0.71 2.01 0.30 -1.81 115.64 116.95 1dqq s THR 193 Ca -0.08 -0.43 -0.04 0.00 0.31 0.00 0.00 61.69 61.46 1dqq s THR 193 Cb -0.15 -0.72 0.01 0.00 0.01 0.00 0.00 72.50 71.65 1dqq s THR 193 CO -0.01 0.25 -0.02 0.00 -0.69 0.00 0.00 174.62 174.15 1dqq s GLU 195 N 1.41 3.25 -0.16 0.00 2.02 0.31 -1.93 118.70 123.60 1dqq s GLU 195 Ca 0.02 -0.72 -0.02 0.00 0.02 0.00 0.00 54.97 54.28 1dqq s GLU 195 Cb -0.16 -2.73 -0.02 0.00 0.10 0.00 0.00 34.13 31.32 1dqq s GLU 195 CO -0.02 -0.05 -0.08 0.00 0.02 0.00 0.00 175.26 175.13 1dqq s ALA 196 N 1.00 2.79 -0.23 5.21 0.00 0.16 -0.31 121.76 130.37 1dqq s ALA 196 Ca -0.01 -0.92 -0.05 0.00 0.00 0.00 0.00 51.96 50.98 1dqq s ALA 196 Cb -0.15 -1.42 -0.02 0.00 0.00 0.00 0.00 23.12 21.54 1dqq s ALA 196 CO -0.02 0.11 -0.00 0.99 0.00 0.00 0.00 175.76 176.84 1dqq s THR 197 N 0.56 3.70 -0.03 0.00 2.01 0.25 0.17 115.64 122.31 1dqq s THR 197 Ca -0.06 -0.38 -0.06 0.00 0.31 0.00 0.00 61.69 61.50 1dqq s THR 197 Cb -0.15 -2.70 0.01 0.00 0.01 0.00 0.00 72.50 69.66 1dqq s THR 197 CO 0.03 0.39 0.14 -2.28 -0.69 0.00 0.00 174.62 172.22 1dqq s HIS 198 N 1.52 -0.06 0.57 4.92 5.04 -1.26 -2.01 115.29 124.01 1dqq s HIS 198 Ca 0.06 0.13 0.37 0.00 -1.54 0.00 0.00 55.06 54.08 1dqq s HIS 198 Cb -0.15 0.00 1.44 0.00 0.04 0.00 0.00 32.58 33.92 1dqq s HIS 198 CO -0.01 -0.19 1.62 -0.22 -2.34 0.00 0.00 174.74 173.60 1dqq h LYS 199 N 5.06 0.00 0.00 2.88 3.64 -1.94 -1.49 116.57 124.71 1dqq h LYS 199 Ca -0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1dqq h LYS 199 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1dqq h LYS 199 CO 0.41 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.84 1dqq n THR 200 N -3.79 0.00 -3.72 1.00 -2.24 -1.26 -4.76 114.28 99.50 1dqq n THR 200 Ca 0.29 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.94 1dqq n THR 200 Cb 1.49 -0.60 -0.10 0.00 -2.10 0.00 0.00 70.33 69.02 1dqq n THR 200 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1dqq s SER 201 N -2.00 -0.44 0.42 3.42 1.04 -0.56 -4.90 113.70 110.67 1dqq s SER 201 Ca 0.39 0.82 0.13 0.00 0.48 0.00 0.00 55.95 57.77 1dqq s SER 201 Cb 0.18 0.78 0.89 0.00 0.10 0.00 0.00 66.02 67.97 1dqq s SER 201 CO 0.30 -0.16 1.93 0.00 0.98 0.00 0.00 173.24 176.30 1dqq h THR 202 N 4.89 1.18 -3.54 2.02 1.03 -1.85 -3.42 112.91 113.20 1dqq h THR 202 Ca -0.30 -0.84 -0.66 0.00 -0.01 0.00 0.00 66.41 64.60 1dqq h THR 202 Cb 1.18 1.43 -0.17 0.00 -1.07 0.00 0.00 68.15 69.52 1dqq h THR 202 CO 0.27 0.24 -0.77 -0.94 -0.01 0.00 0.00 175.52 174.31 1dqq s SER 203 N -6.97 4.05 0.63 0.00 1.04 -1.26 -5.08 113.70 106.11 1dqq s SER 203 Ca -0.04 -0.53 -0.17 0.00 0.48 0.00 0.00 55.95 55.69 1dqq s SER 203 Cb 0.15 -0.63 -0.02 0.00 0.10 0.00 0.00 66.02 65.62 1dqq s SER 203 CO 0.71 0.16 1.19 -2.16 0.98 0.00 0.00 173.24 174.12 1dqq s PRO 204 N -2.30 2.79 -0.16 4.02 0.04 -1.26 -4.84 135.00 133.29 1dqq s PRO 204 Ca 0.20 1.73 -0.22 0.00 0.04 0.00 0.00 61.00 62.75 1dqq s PRO 204 Cb -0.10 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 1dqq s PRO 204 CO 0.12 -1.32 0.68 0.42 0.04 0.00 0.00 177.00 176.93 1dqq s ILE 205 N -1.80 5.01 -0.12 0.56 1.01 0.13 -4.87 121.20 121.11 1dqq s ILE 205 Ca 0.75 1.32 0.01 0.00 0.00 0.00 0.00 60.65 62.73 1dqq s ILE 205 Cb -0.28 -4.00 -0.01 0.00 0.01 0.00 0.00 42.46 38.18 1dqq s ILE 205 CO 0.36 0.14 -0.16 -0.69 0.00 0.00 0.00 174.94 174.59 1dqq s VAL 206 N 1.64 2.79 -0.07 2.92 1.01 -1.26 -0.67 120.40 126.76 1dqq s VAL 206 Ca 0.32 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1dqq s VAL 206 Cb -0.16 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.09 1dqq s VAL 206 CO 0.12 0.54 -0.07 -0.54 0.00 0.00 0.00 175.10 175.15 1dqq s LYS 207 N 0.30 1.24 0.23 2.72 -0.14 -0.81 -5.02 119.74 118.25 1dqq s LYS 207 Ca -0.12 -0.21 -0.07 0.00 -1.36 0.00 0.00 55.97 54.21 1dqq s LYS 207 Cb -0.16 -1.21 -0.02 0.00 -1.68 0.00 0.00 37.83 34.76 1dqq s LYS 207 CO 0.06 -0.12 0.33 0.45 -0.76 0.00 0.00 175.35 175.31 1dqq s SER 208 N 1.15 0.08 0.04 2.83 0.15 -1.26 -0.98 113.70 115.70 1dqq s SER 208 Ca -0.06 -1.16 -0.22 0.00 0.70 0.00 0.00 55.95 55.20 1dqq s SER 208 Cb -0.14 0.50 0.05 0.00 -1.71 0.00 0.00 66.02 64.72 1dqq s SER 208 CO -0.01 -1.02 0.51 0.72 1.20 0.00 0.00 173.24 174.63 1dqq s PHE 209 N -4.03 -0.41 -0.09 3.44 -0.12 -0.75 -5.01 117.98 111.01 1dqq s PHE 209 Ca 0.30 0.46 0.01 0.00 -0.05 0.00 0.00 56.93 57.65 1dqq s PHE 209 Cb 0.03 0.32 -0.03 0.00 -0.63 0.00 0.00 43.02 42.71 1dqq s PHE 209 CO 0.11 -0.63 -0.09 -0.80 -0.05 0.00 0.00 175.22 173.76 1dqq s ASN 210 N -1.92 4.39 0.52 1.98 0.01 -1.26 -1.62 114.94 117.03 1dqq s ASN 210 Ca -0.06 -0.14 0.18 0.00 -0.71 0.00 0.00 52.86 52.13 1dqq s ASN 210 Cb -0.01 -1.27 1.30 0.00 0.41 0.00 0.00 41.25 41.68 1dqq s ASN 210 CO -0.01 0.29 2.14 0.03 -1.51 0.00 0.00 177.10 178.03 1dqq h ARG 211 N 5.78 0.00 -0.08 -0.60 3.08 -1.20 -1.87 114.38 119.49 1dqq h ARG 211 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.64 1dqq h ARG 211 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1dqq h ARG 211 CO 0.54 0.04 0.00 0.27 -1.07 0.00 0.00 179.97 179.75 1dqq n ASN 212 N -4.39 0.46 0.00 7.04 0.23 -1.26 -4.79 115.26 112.56 1dqq n ASN 212 Ca -0.03 -1.97 0.00 0.00 -0.53 0.00 0.00 54.58 52.05 1dqq n ASN 212 Cb 0.12 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 1dqq n ASN 212 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1dqq n GLU 213 N -0.26 0.00 0.00 -3.83 1.02 -0.70 -5.26 120.64 111.61 1dqq n GLU 213 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1dqq n GLU 213 Cb 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.50 1dqq n GLU 213 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31