#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dqt s GLN 2 N 0.00 0.62 -0.09 6.28 -2.07 0.30 -4.96 119.66 119.75 1dqt s GLN 2 Ca 0.00 0.65 0.03 0.00 -1.82 0.00 0.00 55.36 54.21 1dqt s GLN 2 Cb 0.00 0.30 0.01 0.00 -1.09 0.00 0.00 33.01 32.23 1dqt s GLN 2 CO 0.00 -0.09 -0.17 0.08 -1.32 0.00 0.00 175.29 173.78 1dqt s VAL 3 N 0.08 1.55 0.12 3.63 1.01 -1.26 -1.08 120.40 124.45 1dqt s VAL 3 Ca 0.01 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.35 1dqt s VAL 3 Cb -0.04 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 1dqt s VAL 3 CO -0.03 0.45 -0.17 0.42 0.00 0.00 0.00 175.10 175.77 1dqt s THR 4 N 0.62 1.52 0.03 3.92 -4.23 0.13 -3.71 115.64 113.92 1dqt s THR 4 Ca -0.14 -1.67 -0.14 0.00 -1.18 0.00 0.00 61.69 58.55 1dqt s THR 4 Cb -0.16 -1.56 0.02 0.00 1.34 0.00 0.00 72.50 72.14 1dqt s THR 4 CO 0.04 -0.28 0.32 0.00 -0.54 0.00 0.00 174.62 174.16 1dqt s GLN 5 N -2.39 0.79 0.70 3.99 -2.07 -1.26 -0.61 119.66 118.81 1dqt s GLN 5 Ca 0.09 -0.42 -0.16 0.00 -1.82 0.00 0.00 55.36 53.04 1dqt s GLN 5 Cb -0.07 0.34 -0.02 0.00 -1.09 0.00 0.00 33.01 32.18 1dqt s GLN 5 CO 0.04 -0.25 0.85 -2.30 -1.32 0.00 0.00 175.29 172.31 1dqt n PRO 6 N 0.72 0.52 0.06 9.60 -0.02 -1.26 -4.85 135.00 139.77 1dqt n PRO 6 Ca -0.19 0.23 -0.18 0.00 -2.02 0.00 0.00 63.50 61.33 1dqt n PRO 6 Cb 0.59 -2.10 -0.09 0.00 -0.02 0.00 0.00 33.50 31.88 1dqt n PRO 6 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1dqt h SER 7 N -0.14 0.80 -3.72 2.55 0.87 -1.95 -3.36 113.55 108.60 1dqt h SER 7 Ca -0.47 -0.65 -0.24 0.00 -1.23 0.00 0.00 61.79 59.19 1dqt h SER 7 Cb 1.35 -0.24 -0.29 0.00 -0.44 0.00 0.00 62.40 62.77 1dqt h SER 7 CO 0.46 1.45 -0.72 -0.69 -0.53 0.00 0.00 176.83 176.81 1dqt s VAL 8 N -3.25 0.02 -0.04 2.23 1.01 -1.26 -1.22 120.40 117.89 1dqt s VAL 8 Ca -0.08 0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.91 1dqt s VAL 8 Cb 0.07 -0.04 0.02 0.00 0.00 0.00 0.00 36.38 36.44 1dqt s VAL 8 CO 0.91 0.02 -0.02 -0.69 0.00 0.00 0.00 175.10 175.31 1dqt s VAL 9 N 0.10 0.39 -0.41 2.92 1.01 -0.53 -4.93 120.40 118.94 1dqt s VAL 9 Ca -0.01 -0.03 -0.18 0.00 0.00 0.00 0.00 61.98 61.77 1dqt s VAL 9 Cb -0.01 -0.46 0.02 0.00 0.00 0.00 0.00 36.38 35.93 1dqt s VAL 9 CO -0.00 0.20 0.49 -0.76 0.00 0.00 0.00 175.10 175.03 1dqt s LEU 10 N 1.05 4.69 0.56 3.92 1.43 -1.26 -1.76 118.68 127.31 1dqt s LEU 10 Ca -0.09 -0.49 -0.20 0.00 -1.03 0.00 0.00 54.13 52.32 1dqt s LEU 10 Cb -0.14 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 1dqt s LEU 10 CO -0.01 -0.60 1.24 0.00 0.23 0.00 0.00 176.35 177.21 1dqt s ALA 11 N 2.33 2.66 0.93 4.21 0.00 -0.26 -4.95 121.76 126.68 1dqt s ALA 11 Ca 0.15 1.09 -0.12 0.00 0.00 0.00 0.00 51.96 53.08 1dqt s ALA 11 Cb -0.16 -3.47 0.15 0.00 0.00 0.00 0.00 23.12 19.63 1dqt s ALA 11 CO 0.15 -1.16 1.09 -1.54 0.00 0.00 0.00 175.76 174.30 1dqt s SER 12 N -1.40 3.18 0.16 0.00 1.04 0.73 -4.72 113.70 112.70 1dqt s SER 12 Ca 0.74 1.44 0.17 0.00 0.48 0.00 0.00 55.95 58.78 1dqt s SER 12 Cb -0.33 -2.11 0.76 0.00 0.10 0.00 0.00 66.02 64.44 1dqt s SER 12 CO 0.37 -2.81 1.51 -1.54 0.98 0.00 0.00 173.24 171.75 1dqt n SER 13 N -3.99 0.36 -1.56 7.02 3.41 -1.26 -1.09 113.62 116.50 1dqt n SER 13 Ca 0.07 0.62 0.09 0.00 -0.26 0.00 0.00 58.87 59.38 1dqt n SER 13 Cb 0.56 -0.68 0.35 0.00 -0.26 0.00 0.00 64.21 64.18 1dqt n SER 13 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1dqt n HIS 14 N -1.93 1.52 -2.51 7.33 8.25 -1.26 -4.47 115.22 122.15 1dqt n HIS 14 Ca 0.01 -0.65 -0.08 0.00 -0.26 0.00 0.00 57.72 56.75 1dqt n HIS 14 Cb 0.13 -0.29 0.01 0.00 1.12 0.00 0.00 29.99 30.96 1dqt n HIS 14 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dqt n GLY 15 N 0.90 0.26 3.44 -1.41 0.00 -0.25 -4.48 105.19 103.65 1dqt n GLY 15 Ca 0.25 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1dqt n GLY 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dqt s VAL 16 N -2.74 3.58 -0.14 1.61 1.01 -1.25 -1.65 120.40 120.82 1dqt s VAL 16 Ca 0.10 -0.47 -0.00 0.00 0.00 0.00 0.00 61.98 61.61 1dqt s VAL 16 Cb -0.04 -2.56 0.03 0.00 0.00 0.00 0.00 36.38 33.81 1dqt s VAL 16 CO 0.13 0.50 -0.06 0.00 0.00 0.00 0.00 175.10 175.66 1dqt s ALA 17 N 0.45 1.42 -0.03 5.51 0.00 0.03 -0.19 121.76 128.94 1dqt s ALA 17 Ca -0.06 -0.72 0.06 0.00 0.00 0.00 0.00 51.96 51.25 1dqt s ALA 17 Cb -0.15 -1.04 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 1dqt s ALA 17 CO 0.03 -0.64 -0.23 -1.12 0.00 0.00 0.00 175.76 173.81 1dqt s SER 18 N 1.66 2.73 -0.01 0.00 0.01 -1.26 -0.40 113.70 116.43 1dqt s SER 18 Ca 0.02 -0.43 -0.28 0.00 1.31 0.00 0.00 55.95 56.57 1dqt s SER 18 Cb -0.14 -0.50 0.09 0.00 0.21 0.00 0.00 66.02 65.68 1dqt s SER 18 CO -0.08 0.25 0.79 0.72 0.41 0.00 0.00 173.24 175.33 1dqt s PHE 19 N -0.35 -0.49 0.45 2.43 -0.71 -0.39 -5.00 117.98 113.93 1dqt s PHE 19 Ca 0.03 0.59 -0.07 0.00 -1.04 0.00 0.00 56.93 56.45 1dqt s PHE 19 Cb -0.11 0.49 -0.04 0.00 -1.21 0.00 0.00 43.02 42.15 1dqt s PHE 19 CO 0.01 -0.59 0.77 -1.25 -1.34 0.00 0.00 175.22 172.82 1dqt s PRO 20 N -2.28 3.61 -0.16 1.99 0.04 -1.26 -0.98 135.00 135.96 1dqt s PRO 20 Ca -0.02 0.26 -0.01 0.00 0.04 0.00 0.00 61.00 61.27 1dqt s PRO 20 Cb -0.01 -2.40 0.04 0.00 0.04 0.00 0.00 34.50 32.18 1dqt s PRO 20 CO -0.02 -0.13 -0.03 0.00 0.04 0.00 0.00 177.00 176.85 1dqt s GLU 22 N 1.69 2.43 0.19 0.00 2.02 0.23 -0.83 118.70 124.42 1dqt s GLU 22 Ca 0.01 -0.79 0.03 0.00 0.02 0.00 0.00 54.97 54.24 1dqt s GLU 22 Cb -0.15 -2.42 -0.05 0.00 0.10 0.00 0.00 34.13 31.61 1dqt s GLU 22 CO -0.07 0.59 -0.01 1.52 0.02 0.00 0.00 175.26 177.30 1dqt s TYR 23 N -0.96 1.36 -0.07 1.61 1.13 -0.86 0.17 117.35 119.72 1dqt s TYR 23 Ca 0.16 -0.95 -0.24 0.00 -1.41 0.00 0.00 57.07 54.63 1dqt s TYR 23 Cb -0.11 -0.77 0.05 0.00 -1.10 0.00 0.00 41.96 40.03 1dqt s TYR 23 CO 0.07 -0.11 0.55 0.45 -2.51 0.00 0.00 175.55 174.00 1dqt s SER 24 N -3.23 -0.51 0.71 -0.18 0.15 -0.24 -4.59 113.70 105.81 1dqt s SER 24 Ca 0.25 0.62 -0.11 0.00 0.70 0.00 0.00 55.95 57.40 1dqt s SER 24 Cb 0.05 0.60 0.02 0.00 -1.71 0.00 0.00 66.02 64.98 1dqt s SER 24 CO 0.05 -0.48 1.09 -2.16 1.20 0.00 0.00 173.24 172.94 1dqt s PRO 25 N -0.94 2.83 0.35 5.44 0.04 -1.26 -0.54 135.00 140.92 1dqt s PRO 25 Ca -0.10 0.55 0.06 0.00 0.04 0.00 0.00 61.00 61.55 1dqt s PRO 25 Cb -0.02 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.44 1dqt s PRO 25 CO 0.06 -1.08 0.01 -1.54 0.04 0.00 0.00 177.00 174.50 1dqt s SER 26 N -4.24 3.03 0.00 6.66 1.04 -1.26 -5.01 113.70 113.93 1dqt s SER 26 Ca 0.58 -1.34 -0.14 0.00 0.48 0.00 0.00 55.95 55.53 1dqt s SER 26 Cb -0.12 -0.22 0.02 0.00 0.10 0.00 0.00 66.02 65.80 1dqt s SER 26 CO 0.53 -0.49 0.30 -1.00 0.98 0.00 0.00 173.24 173.55 1dqt s HIS 27 N -3.01 -0.15 0.53 5.02 3.76 -1.26 -5.03 115.29 115.15 1dqt s HIS 27 Ca 0.35 0.17 0.22 0.00 -0.15 0.00 0.00 55.06 55.65 1dqt s HIS 27 Cb 0.08 0.09 1.38 0.00 1.11 0.00 0.00 32.58 35.23 1dqt s HIS 27 CO 0.16 -0.41 2.07 -0.91 -0.85 0.00 0.00 174.74 174.80 1dqt h ASN 28 N 3.74 0.00 -0.23 1.40 -0.26 -2.00 -1.35 115.58 116.87 1dqt h ASN 28 Ca -0.30 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.44 1dqt h ASN 28 Cb 1.18 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.44 1dqt h ASN 28 CO 0.42 0.00 0.00 0.35 -1.06 0.00 0.00 177.43 177.14 1dqt n THR 29 N -4.38 0.30 -1.54 2.81 -2.24 -1.26 -4.96 114.28 103.00 1dqt n THR 29 Ca 0.04 -0.48 -0.46 0.00 -2.27 0.00 0.00 64.05 60.89 1dqt n THR 29 Cb 0.38 0.59 -0.02 0.00 -2.10 0.00 0.00 70.33 69.18 1dqt n THR 29 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1dqt n ASP 30 N 0.72 0.64 -3.78 3.42 10.43 -0.51 -4.40 116.55 123.05 1dqt n ASP 30 Ca 0.17 1.17 -0.20 0.00 2.57 0.00 0.00 54.79 58.50 1dqt n ASP 30 Cb 0.42 -1.20 -0.17 0.00 1.84 0.00 0.00 41.12 42.02 1dqt n ASP 30 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1dqt s GLU 31 N -1.36 0.39 0.17 -1.24 2.02 -0.10 -4.73 118.70 113.84 1dqt s GLU 31 Ca 0.61 0.12 0.06 0.00 0.02 0.00 0.00 54.97 55.78 1dqt s GLU 31 Cb -0.77 -0.68 -0.05 0.00 0.10 0.00 0.00 34.13 32.74 1dqt s GLU 31 CO 0.59 -0.22 -0.12 0.14 0.02 0.00 0.00 175.26 175.67 1dqt s VAL 32 N 1.52 1.43 -0.16 2.63 -7.23 -0.76 -0.47 120.40 117.36 1dqt s VAL 32 Ca -0.03 -2.12 -0.00 0.00 -1.81 0.00 0.00 61.98 58.02 1dqt s VAL 32 Cb -0.13 -1.93 -0.00 0.00 0.56 0.00 0.00 36.38 34.88 1dqt s VAL 32 CO -0.03 -0.67 -0.14 -0.60 -0.31 0.00 0.00 175.10 173.35 1dqt s ARG 33 N -3.67 3.25 -0.12 4.82 6.06 -0.41 -0.27 118.95 128.61 1dqt s ARG 33 Ca 0.19 -0.73 0.00 0.00 -2.50 0.00 0.00 55.73 52.70 1dqt s ARG 33 Cb 0.01 -2.66 -0.02 0.00 0.06 0.00 0.00 34.95 32.34 1dqt s ARG 33 CO 0.03 0.02 -0.13 0.08 -2.50 0.00 0.00 175.30 172.80 1dqt s VAL 34 N 0.82 3.06 -0.05 7.11 1.01 0.53 -1.26 120.40 131.61 1dqt s VAL 34 Ca -0.05 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.30 1dqt s VAL 34 Cb -0.15 -2.27 -0.00 0.00 0.00 0.00 0.00 36.38 33.96 1dqt s VAL 34 CO 0.00 0.54 -0.17 -0.89 0.00 0.00 0.00 175.10 174.58 1dqt s THR 35 N 0.15 1.44 -0.23 3.92 2.01 -0.29 -0.95 115.64 121.70 1dqt s THR 35 Ca -0.07 -0.71 -0.06 0.00 0.31 0.00 0.00 61.69 61.16 1dqt s THR 35 Cb -0.15 -1.25 -0.03 0.00 0.01 0.00 0.00 72.50 71.08 1dqt s THR 35 CO 0.05 0.42 0.03 -0.69 -0.69 0.00 0.00 174.62 173.74 1dqt s VAL 36 N 0.17 4.10 -0.05 3.82 1.01 0.38 -0.53 120.40 129.30 1dqt s VAL 36 Ca -0.07 -0.25 0.06 0.00 0.00 0.00 0.00 61.98 61.72 1dqt s VAL 36 Cb -0.13 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 1dqt s VAL 36 CO 0.03 0.38 -0.25 -0.76 0.00 0.00 0.00 175.10 174.51 1dqt s LEU 37 N 1.36 2.06 -0.21 3.92 1.43 -0.07 -0.30 118.68 126.87 1dqt s LEU 37 Ca 0.05 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 52.53 1dqt s LEU 37 Cb -0.15 -1.34 -0.05 0.00 0.03 0.00 0.00 46.19 44.69 1dqt s LEU 37 CO 0.02 0.25 0.23 -0.60 0.23 0.00 0.00 176.35 176.48 1dqt s ARG 38 N -0.22 4.16 -0.19 1.70 3.52 0.86 0.89 118.95 129.66 1dqt s ARG 38 Ca -0.02 -0.09 -0.09 0.00 -0.13 0.00 0.00 55.73 55.41 1dqt s ARG 38 Cb -0.13 -3.49 -0.04 0.00 -1.56 0.00 0.00 34.95 29.73 1dqt s ARG 38 CO 0.03 0.13 0.09 -1.14 -0.81 0.00 0.00 175.30 173.60 1dqt s GLN 39 N 0.84 4.06 0.00 5.12 0.74 0.07 -0.66 119.66 129.83 1dqt s GLN 39 Ca 0.12 -0.29 0.00 0.00 0.05 0.00 0.00 55.36 55.23 1dqt s GLN 39 Cb -0.13 -3.31 0.00 0.00 1.10 0.00 0.00 33.01 30.67 1dqt s GLN 39 CO 0.04 0.27 0.00 0.25 -0.55 0.00 0.00 175.29 175.30 1dqt n THR 40 N 3.58 0.00 -1.99 -0.34 -2.24 -0.24 -4.34 114.28 108.71 1dqt n THR 40 Ca -0.16 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.26 1dqt n THR 40 Cb 0.52 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 1dqt n THR 40 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1dqt s ASN 41 N 1.00 5.14 0.00 3.42 0.01 -1.26 -3.84 114.94 119.41 1dqt s ASN 41 Ca 0.00 0.22 0.00 0.00 -0.71 0.00 0.00 52.86 52.37 1dqt s ASN 41 Cb 0.00 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.13 1dqt s ASN 41 CO 0.00 -2.52 0.00 0.47 -1.51 0.00 0.00 177.10 173.54 1dqt n ASP 42 N 13.40 0.00 -4.72 -1.22 9.92 -1.26 -4.94 116.55 127.72 1dqt n ASP 42 Ca 0.26 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 54.27 1dqt n ASP 42 Cb 0.51 -0.06 -0.07 0.00 -0.64 0.00 0.00 41.12 40.86 1dqt n ASP 42 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1dqt s GLN 43 N 0.00 2.22 0.06 -1.24 -0.21 -1.25 -5.15 119.66 114.09 1dqt s GLN 43 Ca 0.00 -1.81 0.06 0.00 0.02 0.00 0.00 55.36 53.63 1dqt s GLN 43 Cb 0.00 -1.99 -0.03 0.00 1.00 0.00 0.00 33.01 32.00 1dqt s GLN 43 CO 0.00 -0.07 -0.18 -1.64 -2.12 0.00 0.00 175.29 171.29 1dqt s MET 44 N -3.87 1.11 -0.11 2.91 -1.94 -1.26 -1.08 119.30 115.05 1dqt s MET 44 Ca 0.40 -0.93 0.03 0.00 -1.71 0.00 0.00 55.69 53.48 1dqt s MET 44 Cb 0.03 -1.21 -0.00 0.00 2.01 0.00 0.00 34.83 35.66 1dqt s MET 44 CO 0.22 0.29 -0.21 0.99 -0.01 0.00 0.00 175.02 176.30 1dqt s THR 45 N -0.95 2.29 -0.17 2.05 2.01 0.17 -4.94 115.64 116.09 1dqt s THR 45 Ca 0.04 -0.93 -0.29 0.00 0.31 0.00 0.00 61.69 60.82 1dqt s THR 45 Cb -0.09 -1.90 -0.01 0.00 0.01 0.00 0.00 72.50 70.51 1dqt s THR 45 CO 0.02 0.55 1.14 -0.70 -0.69 0.00 0.00 174.62 174.94 1dqt s GLU 46 N 0.42 4.28 -0.17 4.92 2.12 -1.26 -0.10 118.70 128.91 1dqt s GLU 46 Ca -0.15 1.51 -0.24 0.00 0.36 0.00 0.00 54.97 56.45 1dqt s GLU 46 Cb -0.17 -3.67 -0.21 0.00 0.26 0.00 0.00 34.13 30.34 1dqt s GLU 46 CO 0.07 -0.60 0.45 0.28 -0.54 0.00 0.00 175.26 174.91 1dqt h VAL 47 N 5.38 1.26 -2.14 3.70 2.07 -1.01 -3.48 116.25 122.02 1dqt h VAL 47 Ca -0.25 -2.17 0.14 0.00 0.82 0.00 0.00 66.70 65.25 1dqt h VAL 47 Cb 1.10 2.60 -0.15 0.00 -1.52 0.00 0.00 31.29 33.32 1dqt h VAL 47 CO 0.95 0.43 0.55 0.00 0.02 0.00 0.00 177.57 179.52 1dqt s ALA 49 N -3.01 -1.13 0.16 0.00 0.00 -1.26 -0.47 121.76 116.05 1dqt s ALA 49 Ca 0.07 0.38 -0.20 0.00 0.00 0.00 0.00 51.96 52.20 1dqt s ALA 49 Cb -0.01 0.41 0.05 0.00 0.00 0.00 0.00 23.12 23.58 1dqt s ALA 49 CO -0.07 -0.50 0.55 -0.08 0.00 0.00 0.00 175.76 175.65 1dqt s THR 50 N -2.64 0.02 -0.10 0.00 -1.32 -0.12 -4.77 115.64 106.71 1dqt s THR 50 Ca -0.04 -0.31 0.00 0.00 -1.21 0.00 0.00 61.69 60.13 1dqt s THR 50 Cb -0.00 -1.18 -0.02 0.00 -1.51 0.00 0.00 72.50 69.78 1dqt s THR 50 CO -0.03 -0.09 -0.09 -0.89 -2.21 0.00 0.00 174.62 171.30 1dqt s THR 51 N -3.79 3.44 -0.18 5.08 2.01 -1.26 -0.35 115.64 120.59 1dqt s THR 51 Ca 0.03 -0.55 -0.01 0.00 0.31 0.00 0.00 61.69 61.47 1dqt s THR 51 Cb -0.01 -2.43 -0.00 0.00 0.01 0.00 0.00 72.50 70.08 1dqt s THR 51 CO -0.10 0.56 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.90 1dqt s PHE 52 N -0.23 2.85 -0.69 4.92 0.40 0.62 -4.91 117.98 120.95 1dqt s PHE 52 Ca 0.02 -1.09 0.11 0.00 -0.60 0.00 0.00 56.93 55.37 1dqt s PHE 52 Cb -0.13 -1.97 -0.07 0.00 0.51 0.00 0.00 43.02 41.35 1dqt s PHE 52 CO 0.03 -0.55 0.53 0.25 0.70 0.00 0.00 175.22 176.18 1dqt n THR 53 N 4.41 0.00 -3.70 0.64 -2.24 -1.26 -1.83 114.28 110.29 1dqt n THR 53 Ca -0.19 -0.30 -0.14 0.00 -2.27 0.00 0.00 64.05 61.15 1dqt n THR 53 Cb 0.51 1.05 -0.08 0.00 -2.10 0.00 0.00 70.33 69.71 1dqt n THR 53 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1dqt s GLU 54 N -1.80 0.78 0.95 -0.78 -1.05 -1.26 -4.85 118.70 110.69 1dqt s GLU 54 Ca 0.06 -0.16 -0.12 0.00 -0.15 0.00 0.00 54.97 54.60 1dqt s GLU 54 Cb 0.08 0.35 0.16 0.00 -0.44 0.00 0.00 34.13 34.29 1dqt s GLU 54 CO 0.38 -0.23 1.09 0.15 0.95 0.00 0.00 175.26 177.60 1dqt s LYS 55 N -1.55 0.81 -1.45 -4.83 3.01 -1.26 -3.96 119.74 110.51 1dqt s LYS 55 Ca -0.11 0.69 -0.09 0.00 -1.01 0.00 0.00 55.97 55.45 1dqt s LYS 55 Cb -0.03 -1.77 0.04 0.00 -1.01 0.00 0.00 37.83 35.06 1dqt s LYS 55 CO 0.04 -2.52 0.73 0.09 0.51 0.00 0.00 175.35 174.20 1dqt n ASN 56 N -4.05 -5.23 -4.20 2.83 5.03 -0.80 -4.98 115.26 103.85 1dqt n ASN 56 Ca 0.06 -0.45 -0.23 0.00 0.87 0.00 0.00 54.58 54.83 1dqt n ASN 56 Cb 0.56 -4.22 -0.14 0.00 -1.02 0.00 0.00 39.78 34.97 1dqt n ASN 56 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1dqt s THR 57 N -3.15 1.42 -0.16 3.41 2.01 -1.25 -5.02 115.64 112.89 1dqt s THR 57 Ca 0.45 -1.12 -0.16 0.00 0.31 0.00 0.00 61.69 61.16 1dqt s THR 57 Cb -0.21 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.00 1dqt s THR 57 CO 0.55 0.10 0.38 -0.69 -0.69 0.00 0.00 174.62 174.27 1dqt s VAL 58 N -0.84 5.24 0.18 3.82 1.01 -1.26 -3.49 120.40 125.06 1dqt s VAL 58 Ca 0.05 0.72 0.02 0.00 0.00 0.00 0.00 61.98 62.76 1dqt s VAL 58 Cb -0.08 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.60 1dqt s VAL 58 CO 0.02 0.33 0.14 0.61 0.00 0.00 0.00 175.10 176.19 1dqt n GLY 59 N 3.52 2.88 2.96 4.51 0.00 0.12 -4.70 105.19 114.48 1dqt n GLY 59 Ca -0.09 -2.21 -0.22 0.00 0.00 0.00 0.00 46.02 43.50 1dqt n GLY 59 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1dqt n PHE 60 N -0.96 -1.84 0.29 1.61 3.01 -1.26 -3.65 117.46 114.66 1dqt n PHE 60 Ca -0.00 0.45 0.13 0.00 1.01 0.00 0.00 57.45 59.04 1dqt n PHE 60 Cb 0.20 -4.33 0.85 0.00 -0.01 0.00 0.00 39.48 36.18 1dqt n PHE 60 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1dqt h LEU 61 N -1.18 0.00 -1.54 4.37 3.38 -1.85 -1.55 115.31 116.93 1dqt h LEU 61 Ca -0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1dqt h LEU 61 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1dqt h LEU 61 CO 0.57 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.20 1dqt n ASP 62 N -4.01 2.24 -4.12 -0.43 3.85 -1.26 -4.78 116.55 108.03 1dqt n ASP 62 Ca -0.03 -2.02 -0.33 0.00 -0.71 0.00 0.00 54.79 51.70 1dqt n ASP 62 Cb 0.09 -0.28 -0.16 0.00 -1.35 0.00 0.00 41.12 39.41 1dqt n ASP 62 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 1dqt s TYR 63 N -1.47 2.83 0.39 2.11 1.51 -0.59 -5.00 117.35 117.14 1dqt s TYR 63 Ca 0.28 -1.67 0.14 0.00 -1.01 0.00 0.00 57.07 54.81 1dqt s TYR 63 Cb 0.15 -1.93 0.84 0.00 -0.11 0.00 0.00 41.96 40.90 1dqt s TYR 63 CO 0.18 -0.80 1.89 -1.35 -1.11 0.00 0.00 175.55 174.35 1dqt h PRO 64 N 7.94 0.00 -0.65 -1.71 0.11 -1.86 -3.20 132.00 132.62 1dqt h PRO 64 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1dqt h PRO 64 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1dqt h PRO 64 CO 0.62 0.30 0.00 1.97 -0.21 0.00 0.00 178.00 180.69 1dqt n PHE 65 N -4.13 1.50 -3.89 0.65 1.16 -1.26 -4.91 117.46 106.59 1dqt n PHE 65 Ca -0.02 -0.61 -0.11 0.00 -1.87 0.00 0.00 57.45 54.84 1dqt n PHE 65 Cb 0.35 -0.25 -0.11 0.00 -1.61 0.00 0.00 39.48 37.87 1dqt n PHE 65 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1dqt s SER 67 N -1.11 -0.10 0.00 0.00 0.15 -0.24 -4.65 113.70 107.75 1dqt s SER 67 Ca -0.12 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 55.68 1dqt s SER 67 Cb -0.07 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 1dqt s SER 67 CO 0.01 -1.11 0.00 0.61 1.20 0.00 0.00 173.24 173.95 1dqt n GLY 68 N -0.36 1.35 3.31 9.45 0.00 -1.24 -1.25 105.19 116.45 1dqt n GLY 68 Ca -0.03 -0.78 -0.16 0.00 0.00 0.00 0.00 46.02 45.04 1dqt n GLY 68 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dqt s THR 69 N -2.00 1.10 0.02 2.61 -4.23 -0.70 0.15 115.64 112.59 1dqt s THR 69 Ca 0.00 -2.05 0.02 0.00 -1.18 0.00 0.00 61.69 58.48 1dqt s THR 69 Cb 0.00 -2.20 -0.01 0.00 1.34 0.00 0.00 72.50 71.63 1dqt s THR 69 CO 0.00 -0.45 -0.06 0.12 -0.54 0.00 0.00 174.62 173.69 1dqt s PHE 70 N -3.38 0.55 0.12 3.99 5.36 -1.23 -0.56 117.98 122.84 1dqt s PHE 70 Ca 0.25 -0.27 -0.12 0.00 -0.96 0.00 0.00 56.93 55.83 1dqt s PHE 70 Cb 0.05 -0.34 0.01 0.00 -0.34 0.00 0.00 43.02 42.40 1dqt s PHE 70 CO 0.06 -0.04 0.30 1.21 -1.46 0.00 0.00 175.22 175.29 1dqt s ASN 71 N -0.78 -0.03 -0.14 6.13 3.84 -0.29 -1.91 114.94 121.76 1dqt s ASN 71 Ca -0.04 -0.57 -0.39 0.00 0.21 0.00 0.00 52.86 52.08 1dqt s ASN 71 Cb -0.06 0.42 -0.16 0.00 -0.55 0.00 0.00 41.25 40.90 1dqt s ASN 71 CO 0.00 -0.82 1.60 1.21 -2.79 0.00 0.00 177.10 176.29 1dqt n GLU 72 N -0.16 1.18 -0.87 0.43 2.13 -1.26 -1.00 120.64 121.08 1dqt n GLU 72 Ca -0.14 0.43 0.00 0.00 0.66 0.00 0.00 57.16 58.11 1dqt n GLU 72 Cb 0.63 -2.10 0.00 0.00 0.27 0.00 0.00 31.44 30.24 1dqt n GLU 72 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1dqt n SER 73 N 4.32 -0.14 -3.71 4.31 3.41 -1.26 -4.99 113.62 115.56 1dqt n SER 73 Ca 0.23 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1dqt n SER 73 Cb 0.16 -0.71 -0.10 0.00 -0.26 0.00 0.00 64.21 63.29 1dqt n SER 73 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1dqt s ARG 74 N -0.28 0.44 -0.14 4.33 3.52 -0.17 -2.03 118.95 124.61 1dqt s ARG 74 Ca 0.00 0.69 0.00 0.00 -0.13 0.00 0.00 55.73 56.30 1dqt s ARG 74 Cb 0.00 0.10 -0.01 0.00 -1.56 0.00 0.00 34.95 33.49 1dqt s ARG 74 CO 0.00 -0.11 -0.15 0.08 -0.81 0.00 0.00 175.30 174.31 1dqt s VAL 75 N 0.84 2.77 -0.41 7.11 1.01 -0.01 -1.13 120.40 130.57 1dqt s VAL 75 Ca -0.05 -0.75 -0.17 0.00 0.00 0.00 0.00 61.98 61.01 1dqt s VAL 75 Cb -0.06 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.18 1dqt s VAL 75 CO -0.06 0.52 0.41 0.20 0.00 0.00 0.00 175.10 176.17 1dqt s ASN 76 N 0.56 6.18 0.11 3.32 0.01 0.28 -0.54 114.94 124.86 1dqt s ASN 76 Ca -0.09 -0.68 -0.00 0.00 -0.71 0.00 0.00 52.86 51.37 1dqt s ASN 76 Cb -0.16 -2.21 -0.04 0.00 0.41 0.00 0.00 41.25 39.25 1dqt s ASN 76 CO 0.04 -0.54 0.28 -0.76 -1.51 0.00 0.00 177.10 174.60 1dqt s LEU 77 N 2.06 4.32 -0.05 0.60 1.43 -0.15 -1.72 118.68 125.17 1dqt s LEU 77 Ca 0.11 0.33 -0.02 0.00 -1.03 0.00 0.00 54.13 53.52 1dqt s LEU 77 Cb -0.17 -3.04 0.04 0.00 0.03 0.00 0.00 46.19 43.04 1dqt s LEU 77 CO 0.13 0.10 0.09 -0.89 0.23 0.00 0.00 176.35 176.00 1dqt s THR 78 N -1.63 -0.11 -0.11 5.49 2.01 -0.38 -1.26 115.64 119.64 1dqt s THR 78 Ca 0.36 0.30 0.02 0.00 0.31 0.00 0.00 61.69 62.69 1dqt s THR 78 Cb -0.12 -0.17 -0.01 0.00 0.01 0.00 0.00 72.50 72.21 1dqt s THR 78 CO 0.28 0.12 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.51 1dqt s ILE 79 N 1.65 2.48 0.46 1.82 1.01 0.46 -1.08 121.20 128.01 1dqt s ILE 79 Ca -0.03 -0.87 0.03 0.00 0.00 0.00 0.00 60.65 59.78 1dqt s ILE 79 Cb -0.12 -1.99 -0.02 0.00 0.01 0.00 0.00 42.46 40.34 1dqt s ILE 79 CO -0.04 0.54 0.08 0.00 0.00 0.00 0.00 174.94 175.52 1dqt s GLN 80 N 0.35 2.07 -0.32 2.79 -2.07 -0.45 -0.79 119.66 121.24 1dqt s GLN 80 Ca -0.16 -2.30 0.00 0.00 -1.82 0.00 0.00 55.36 51.08 1dqt s GLN 80 Cb -0.17 -0.98 0.00 0.00 -1.09 0.00 0.00 33.01 30.77 1dqt s GLN 80 CO 0.08 -0.46 0.00 0.41 -1.32 0.00 0.00 175.29 174.00 1dqt n GLY 81 N -1.09 0.54 3.77 2.60 0.00 -1.07 -4.77 105.19 105.18 1dqt n GLY 81 Ca -0.12 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 1dqt n GLY 81 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dqt s LEU 82 N -0.68 4.29 0.36 0.99 1.43 -0.66 -5.02 118.68 119.39 1dqt s LEU 82 Ca 0.00 2.58 0.08 0.00 -1.03 0.00 0.00 54.13 55.77 1dqt s LEU 82 Cb 0.00 -3.84 -0.05 0.00 0.03 0.00 0.00 46.19 42.33 1dqt s LEU 82 CO 0.00 -0.68 0.05 -0.13 0.23 0.00 0.00 176.35 175.82 1dqt s ARG 83 N -2.07 2.12 0.26 1.70 0.52 -1.26 -4.33 118.95 115.89 1dqt s ARG 83 Ca 0.54 -1.77 -0.02 0.00 -0.52 0.00 0.00 55.73 53.95 1dqt s ARG 83 Cb -0.37 -1.94 0.48 0.00 0.52 0.00 0.00 34.95 33.64 1dqt s ARG 83 CO 0.48 0.08 1.78 0.00 0.02 0.00 0.00 175.30 177.65 1dqt h ALA 84 N 1.71 1.23 0.00 2.13 0.00 -1.95 0.14 119.26 122.53 1dqt h ALA 84 Ca -0.43 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1dqt h ALA 84 Cb 1.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1dqt h ALA 84 CO 0.68 -0.02 0.00 -0.39 0.00 0.00 0.00 179.25 179.52 1dqt h VAL 85 N 0.68 0.00 0.00 0.00 -1.51 -1.96 -1.36 116.25 112.11 1dqt h VAL 85 Ca 0.44 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.70 1dqt h VAL 85 Cb 0.54 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.83 1dqt h VAL 85 CO -0.32 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 176.49 1dqt n ASP 86 N -2.92 0.00 -4.64 4.19 10.43 0.50 -4.84 116.55 119.26 1dqt n ASP 86 Ca -0.01 -0.38 -0.46 0.00 2.57 0.00 0.00 54.79 56.51 1dqt n ASP 86 Cb 0.17 -0.20 -0.03 0.00 1.84 0.00 0.00 41.12 42.89 1dqt n ASP 86 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 1dqt n THR 87 N -1.20 1.06 -3.17 -3.53 -1.04 -0.51 -4.84 114.28 101.05 1dqt n THR 87 Ca 0.17 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1dqt n THR 87 Cb 0.20 -1.28 0.00 0.00 -1.82 0.00 0.00 70.33 67.44 1dqt n THR 87 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1dqt n GLY 88 N 1.98 -1.43 3.61 3.41 0.00 -0.58 -5.00 105.19 107.17 1dqt n GLY 88 Ca 0.12 -1.07 -0.39 0.00 0.00 0.00 0.00 46.02 44.68 1dqt n GLY 88 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1dqt s LEU 89 N 0.00 4.05 -0.24 0.99 2.96 -1.26 -0.17 118.68 125.01 1dqt s LEU 89 Ca 0.00 0.22 -0.02 0.00 -0.22 0.00 0.00 54.13 54.11 1dqt s LEU 89 Cb 0.00 -2.34 0.02 0.00 0.50 0.00 0.00 46.19 44.37 1dqt s LEU 89 CO 0.00 -0.12 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.54 1dqt s TYR 90 N 1.86 3.02 0.07 5.38 1.51 0.36 -0.75 117.35 128.79 1dqt s TYR 90 Ca 0.13 -1.36 -0.20 0.00 -1.01 0.00 0.00 57.07 54.63 1dqt s TYR 90 Cb -0.16 -2.07 -0.07 0.00 -0.11 0.00 0.00 41.96 39.55 1dqt s TYR 90 CO 0.10 -0.68 0.59 -0.51 -1.11 0.00 0.00 175.55 173.93 1dqt s LEU 91 N 1.37 4.52 -0.19 -1.29 2.01 0.26 -0.50 118.68 124.86 1dqt s LEU 91 Ca 0.02 1.27 -0.07 0.00 0.01 0.00 0.00 54.13 55.36 1dqt s LEU 91 Cb -0.16 -2.92 -0.04 0.00 0.01 0.00 0.00 46.19 43.08 1dqt s LEU 91 CO -0.04 0.25 0.06 0.00 1.01 0.00 0.00 176.35 177.62 1dqt s LYS 93 N 0.60 2.74 -0.09 0.00 2.20 0.31 -0.97 119.74 124.53 1dqt s LYS 93 Ca 0.03 -0.81 0.02 0.00 -0.36 0.00 0.00 55.97 54.85 1dqt s LYS 93 Cb -0.13 -2.32 0.01 0.00 -1.51 0.00 0.00 37.83 33.89 1dqt s LYS 93 CO 0.01 0.39 -0.15 0.08 -0.36 0.00 0.00 175.35 175.32 1dqt s VAL 94 N -0.15 1.41 -0.15 4.02 1.01 0.41 -1.14 120.40 125.81 1dqt s VAL 94 Ca -0.03 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 1dqt s VAL 94 Cb -0.14 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 1dqt s VAL 94 CO 0.04 0.42 -0.12 -1.61 0.00 0.00 0.00 175.10 173.82 1dqt s GLU 95 N 0.77 3.34 -0.53 2.72 2.02 -0.39 -0.64 118.70 126.00 1dqt s GLU 95 Ca -0.12 -0.69 -0.21 0.00 0.02 0.00 0.00 54.97 53.97 1dqt s GLU 95 Cb -0.16 -2.69 0.05 0.00 0.10 0.00 0.00 34.13 31.44 1dqt s GLU 95 CO 0.02 0.10 0.76 -1.17 0.02 0.00 0.00 175.26 174.99 1dqt s LEU 96 N 0.64 4.64 0.29 1.80 2.96 0.38 -1.29 118.68 128.10 1dqt s LEU 96 Ca -0.07 -0.74 0.17 0.00 -0.22 0.00 0.00 54.13 53.28 1dqt s LEU 96 Cb -0.15 -2.58 0.10 0.00 0.50 0.00 0.00 46.19 44.06 1dqt s LEU 96 CO 0.03 -1.05 1.40 0.24 -1.32 0.00 0.00 176.35 175.65 1dqt h MET 97 N 9.15 0.00 -1.81 1.98 2.86 -1.07 -3.25 114.93 122.79 1dqt h MET 97 Ca -0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1dqt h MET 97 Cb 1.09 0.00 -0.22 0.00 0.06 0.00 0.00 31.60 32.53 1dqt h MET 97 CO 1.03 0.36 0.31 -0.47 1.06 0.00 0.00 176.91 179.20 1dqt s TYR 98 N -3.03 -0.59 0.68 -0.22 5.04 -1.13 -4.75 117.35 113.34 1dqt s TYR 98 Ca 0.04 1.23 -0.08 0.00 -2.44 0.00 0.00 57.07 55.82 1dqt s TYR 98 Cb 0.07 0.37 0.03 0.00 0.35 0.00 0.00 41.96 42.79 1dqt s TYR 98 CO 0.74 -0.41 1.01 -1.25 -1.34 0.00 0.00 175.55 174.30 1dqt s PRO 99 N -0.45 2.56 0.75 4.97 0.04 -1.26 -0.93 135.00 140.69 1dqt s PRO 99 Ca -0.03 0.02 -0.14 0.00 0.04 0.00 0.00 61.00 60.89 1dqt s PRO 99 Cb -0.03 -2.15 0.05 0.00 0.04 0.00 0.00 34.50 32.41 1dqt s PRO 99 CO 0.02 -1.05 1.21 -2.14 0.04 0.00 0.00 177.00 175.08 1dqt s PRO 100 N -5.21 1.99 0.46 0.56 0.02 -1.26 -4.57 135.00 126.99 1dqt s PRO 100 Ca 0.58 1.75 -0.09 0.00 0.02 0.00 0.00 61.00 63.26 1dqt s PRO 100 Cb -0.11 -1.82 -0.05 0.00 0.02 0.00 0.00 34.50 32.54 1dqt s PRO 100 CO 0.47 -1.94 0.82 -1.25 -0.33 0.00 0.00 177.00 174.77 1dqt s PRO 101 N -3.99 3.69 0.33 5.54 0.04 -1.26 -5.13 135.00 134.23 1dqt s PRO 101 Ca 0.74 0.45 -0.29 0.00 0.04 0.00 0.00 61.00 61.94 1dqt s PRO 101 Cb -0.29 -2.33 -0.10 0.00 0.04 0.00 0.00 34.50 31.82 1dqt s PRO 101 CO 0.47 -0.17 1.35 -0.47 0.04 0.00 0.00 177.00 178.21 1dqt s TYR 102 N -2.61 2.96 -0.00 0.56 5.04 -1.26 -4.95 117.35 117.08 1dqt s TYR 102 Ca 0.51 1.35 -0.12 0.00 -2.44 0.00 0.00 57.07 56.36 1dqt s TYR 102 Cb -0.10 -3.75 0.02 0.00 0.35 0.00 0.00 41.96 38.47 1dqt s TYR 102 CO 0.38 -2.11 0.25 -0.06 -1.34 0.00 0.00 175.55 172.68 1dqt s PHE 103 N -1.06 -0.10 -0.01 4.97 2.99 -1.23 -5.01 117.98 118.54 1dqt s PHE 103 Ca 0.50 0.11 0.01 0.00 0.00 0.00 0.00 56.93 57.55 1dqt s PHE 103 Cb -0.41 0.05 -0.00 0.00 0.00 0.00 0.00 43.02 42.65 1dqt s PHE 103 CO 0.54 -0.37 -0.05 0.08 -0.00 0.00 0.00 175.22 175.43 1dqt s VAL 104 N -1.45 0.38 0.17 -0.44 1.01 -1.26 -0.47 120.40 118.34 1dqt s VAL 104 Ca -0.13 -0.19 -0.07 0.00 0.00 0.00 0.00 61.98 61.58 1dqt s VAL 104 Cb -0.06 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 35.98 1dqt s VAL 104 CO 0.03 0.11 0.25 -0.83 0.00 0.00 0.00 175.10 174.66 1dqt s GLY 105 N -0.03 0.67 -0.08 4.51 0.00 0.19 -5.00 107.32 107.58 1dqt s GLY 105 Ca 0.01 -1.07 -0.11 0.00 0.00 0.00 0.00 44.72 43.55 1dqt s GLY 105 CO -0.00 -0.96 0.28 -0.29 0.00 0.00 0.00 173.10 172.13 1dqt s MET 106 N -4.01 0.44 0.90 2.90 1.75 -1.26 -0.45 119.30 119.58 1dqt s MET 106 Ca 0.21 0.18 -0.13 0.00 -1.25 0.00 0.00 55.69 54.70 1dqt s MET 106 Cb 0.04 0.20 0.17 0.00 2.84 0.00 0.00 34.83 38.09 1dqt s MET 106 CO 0.03 -0.08 1.25 0.20 -0.65 0.00 0.00 175.02 175.76 1dqt s GLY 107 N -0.37 1.76 0.00 2.11 0.00 -0.15 -4.46 107.32 106.21 1dqt s GLY 107 Ca -0.05 -1.24 0.18 0.00 0.00 0.00 0.00 44.72 43.61 1dqt s GLY 107 CO 0.02 -0.53 1.54 0.70 0.00 0.00 0.00 173.10 174.82 1dqt n ASN 108 N -3.55 1.16 0.00 1.64 5.03 -1.26 -4.62 115.26 113.66 1dqt n ASN 108 Ca 0.14 -1.67 0.00 0.00 0.87 0.00 0.00 54.58 53.92 1dqt n ASN 108 Cb 0.60 -0.09 0.00 0.00 -1.02 0.00 0.00 39.78 39.27 1dqt n ASN 108 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1dqt n GLY 109 N 1.00 1.50 3.36 7.41 0.00 -1.26 -4.95 105.19 112.24 1dqt n GLY 109 Ca 0.14 -1.63 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 1dqt n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dqt s THR 110 N -1.91 3.24 -0.34 2.61 2.01 0.35 -4.66 115.64 116.93 1dqt s THR 110 Ca 0.00 -0.57 -0.24 0.00 0.31 0.00 0.00 61.69 61.18 1dqt s THR 110 Cb 0.00 -2.41 0.01 0.00 0.01 0.00 0.00 72.50 70.11 1dqt s THR 110 CO 0.00 0.49 0.83 -1.58 -0.69 0.00 0.00 174.62 173.67 1dqt s GLN 111 N 0.75 3.88 -0.26 4.92 2.00 -0.35 -0.49 119.66 130.12 1dqt s GLN 111 Ca -0.04 0.53 -0.08 0.00 -2.00 0.00 0.00 55.36 53.77 1dqt s GLN 111 Cb -0.15 -3.77 -0.03 0.00 0.80 0.00 0.00 33.01 29.86 1dqt s GLN 111 CO 0.02 -0.79 0.09 0.42 -0.50 0.00 0.00 175.29 174.53 1dqt s ILE 112 N 3.13 4.48 -0.23 -2.34 1.01 0.76 -1.46 121.20 126.55 1dqt s ILE 112 Ca 0.34 -0.14 -0.10 0.00 0.00 0.00 0.00 60.65 60.75 1dqt s ILE 112 Cb -0.13 -3.12 -0.05 0.00 0.01 0.00 0.00 42.46 39.17 1dqt s ILE 112 CO 0.15 0.31 0.14 -0.31 0.00 0.00 0.00 174.94 175.23 1dqt s TYR 113 N 1.64 3.30 -0.14 3.97 1.51 -0.72 -1.53 117.35 125.38 1dqt s TYR 113 Ca 0.06 0.18 0.02 0.00 -1.01 0.00 0.00 57.07 56.33 1dqt s TYR 113 Cb -0.15 -2.23 0.01 0.00 -0.11 0.00 0.00 41.96 39.47 1dqt s TYR 113 CO 0.05 0.08 -0.21 0.08 -1.11 0.00 0.00 175.55 174.44 1dqt s VAL 114 N 0.93 2.17 -0.29 0.71 1.01 -1.26 -1.10 120.40 122.57 1dqt s VAL 114 Ca 0.07 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 1dqt s VAL 114 Cb -0.13 -1.87 0.09 0.00 0.00 0.00 0.00 36.38 34.47 1dqt s VAL 114 CO 0.03 0.54 0.09 -0.63 0.00 0.00 0.00 175.10 175.14 1dqt s ILE 115 N 0.79 0.76 -0.88 2.22 1.01 -1.26 -4.22 121.20 119.62 1dqt s ILE 115 Ca -0.07 -1.24 -0.17 0.00 0.00 0.00 0.00 60.65 59.17 1dqt s ILE 115 Cb -0.16 -1.53 0.17 0.00 0.01 0.00 0.00 42.46 40.95 1dqt s ILE 115 CO -0.01 -0.62 0.95 -1.81 0.00 0.00 0.00 174.94 173.46 1dqt s ASP 116 N 1.69 6.69 0.00 3.58 1.01 -1.26 -4.65 116.67 123.72 1dqt s ASP 116 Ca 0.08 -2.34 0.00 0.00 0.71 0.00 0.00 52.55 51.00 1dqt s ASP 116 Cb -0.17 -2.31 0.00 0.00 1.01 0.00 0.00 42.92 41.45 1dqt s ASP 116 CO -0.24 -0.83 0.28 -2.65 0.21 0.00 0.00 175.17 171.93