#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 0.71 -0.13 0.38 0.74 0.97 -4.96 119.66 117.37 1dqt s GLN 2 Ca 0.00 1.21 0.02 0.00 0.05 0.00 0.00 55.36 56.64 1dqt s GLN 2 Cb 0.00 0.15 0.01 0.00 1.10 0.00 0.00 33.01 34.27 1dqt s GLN 2 CO 0.00 -0.15 -0.19 0.08 -0.55 0.00 0.00 175.29 174.49 1dqt s VAL 3 N 1.60 1.80 0.14 1.34 1.01 -1.26 -0.39 120.40 124.63 1dqt s VAL 3 Ca -0.10 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.12 1dqt s VAL 3 Cb -0.05 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1dqt s VAL 3 CO -0.19 0.50 -0.12 0.42 0.00 0.00 0.00 175.10 175.71 1dqt s THR 4 N 0.92 1.26 0.11 3.92 -4.23 0.69 -3.56 115.64 114.74 1dqt s THR 4 Ca -0.06 -1.90 -0.16 0.00 -1.18 0.00 0.00 61.69 58.38 1dqt s THR 4 Cb -0.15 -1.69 0.03 0.00 1.34 0.00 0.00 72.50 72.03 1dqt s THR 4 CO -0.02 -0.59 0.39 0.00 -0.54 0.00 0.00 174.62 173.85 1dqt s GLN 5 N -3.23 1.02 0.49 3.99 -2.07 -1.26 -0.87 119.66 117.73 1dqt s GLN 5 Ca 0.13 -0.65 -0.23 0.00 -1.82 0.00 0.00 55.36 52.79 1dqt s GLN 5 Cb -0.01 0.45 -0.06 0.00 -1.09 0.00 0.00 33.01 32.29 1dqt s GLN 5 CO 0.02 -0.39 1.31 -2.14 -1.32 0.00 0.00 175.29 172.77 1dqt s PRO 6 N -3.53 3.48 0.15 9.60 0.02 -1.26 -4.82 135.00 138.64 1dqt s PRO 6 Ca 0.01 2.13 -0.16 0.00 0.02 0.00 0.00 61.00 63.00 1dqt s PRO 6 Cb 0.01 -2.41 0.01 0.00 0.02 0.00 0.00 34.50 32.13 1dqt s PRO 6 CO -0.10 -0.88 1.76 0.77 -0.33 0.00 0.00 177.00 178.22 1dqt h SER 7 N 1.88 0.50 -4.19 2.53 0.02 -1.95 -3.34 113.55 109.00 1dqt h SER 7 Ca -0.50 -0.07 -0.30 0.00 -0.84 0.00 0.00 61.79 60.07 1dqt h SER 7 Cb 1.27 -0.13 -0.26 0.00 0.14 0.00 0.00 62.40 63.43 1dqt h SER 7 CO 0.59 0.42 -0.75 -0.69 -1.14 0.00 0.00 176.83 175.27 1dqt s VAL 8 N -5.93 0.43 -0.04 2.27 1.01 -1.26 0.02 120.40 116.91 1dqt s VAL 8 Ca -0.13 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1dqt s VAL 8 Cb 0.11 -0.42 0.03 0.00 0.00 0.00 0.00 36.38 36.10 1dqt s VAL 8 CO 0.73 -0.05 -0.00 -0.69 0.00 0.00 0.00 175.10 175.09 1dqt s VAL 9 N -0.53 0.23 -0.32 2.92 1.01 -0.08 -4.90 120.40 118.74 1dqt s VAL 9 Ca -0.02 0.08 -0.17 0.00 0.00 0.00 0.00 61.98 61.87 1dqt s VAL 9 Cb -0.05 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 35.99 1dqt s VAL 9 CO -0.00 0.17 0.47 -0.76 0.00 0.00 0.00 175.10 174.98 1dqt s LEU 10 N 1.17 4.25 0.69 3.92 1.43 -1.26 -1.37 118.68 127.51 1dqt s LEU 10 Ca -0.08 0.10 -0.13 0.00 -1.03 0.00 0.00 54.13 53.00 1dqt s LEU 10 Cb -0.13 -2.53 0.01 0.00 0.03 0.00 0.00 46.19 43.57 1dqt s LEU 10 CO -0.02 -0.37 1.09 0.00 0.23 0.00 0.00 176.35 177.28 1dqt s ALA 11 N 2.27 2.47 0.82 4.21 0.00 -0.47 -4.94 121.76 126.12 1dqt s ALA 11 Ca 0.17 0.35 -0.11 0.00 0.00 0.00 0.00 51.96 52.38 1dqt s ALA 11 Cb -0.16 -3.27 0.08 0.00 0.00 0.00 0.00 23.12 19.78 1dqt s ALA 11 CO 0.12 -1.36 1.09 -1.54 0.00 0.00 0.00 175.76 174.07 1dqt s SER 12 N -3.08 4.19 0.08 0.00 1.04 0.09 -4.62 113.70 111.39 1dqt s SER 12 Ca 0.63 1.51 0.11 0.00 0.48 0.00 0.00 55.95 58.68 1dqt s SER 12 Cb -0.18 -2.23 0.50 0.00 0.10 0.00 0.00 66.02 64.22 1dqt s SER 12 CO 0.48 -2.19 1.34 -1.54 0.98 0.00 0.00 173.24 172.31 1dqt n SER 13 N -3.59 0.16 -1.36 7.02 3.41 -1.26 -0.99 113.62 117.00 1dqt n SER 13 Ca 0.07 0.56 0.09 0.00 -0.26 0.00 0.00 58.87 59.33 1dqt n SER 13 Cb 0.55 -0.59 0.32 0.00 -0.26 0.00 0.00 64.21 64.23 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 -1.70 1.26 -2.13 7.33 8.25 -1.26 -4.61 115.22 122.35 1dqt n HIS 14 Ca 0.01 -0.62 -0.04 0.00 -0.26 0.00 0.00 57.72 56.81 1dqt n HIS 14 Cb 0.09 -0.21 -0.00 0.00 1.12 0.00 0.00 29.99 30.99 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 0.86 0.24 3.50 -1.41 0.00 -0.16 -4.50 105.19 103.71 1dqt n GLY 15 Ca 0.23 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.28 3.88 -0.13 1.61 1.01 -1.25 -1.27 120.40 121.96 1dqt s VAL 16 Ca 0.01 -0.36 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 1dqt s VAL 16 Cb -0.00 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.70 1dqt s VAL 16 CO 0.01 0.49 -0.10 0.00 0.00 0.00 0.00 175.10 175.51 1dqt s ALA 17 N 0.35 1.53 -0.07 5.51 0.00 0.12 -0.73 121.76 128.47 1dqt s ALA 17 Ca -0.04 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.27 1dqt s ALA 17 Cb -0.14 -0.96 0.01 0.00 0.00 0.00 0.00 23.12 22.02 1dqt s ALA 17 CO 0.03 -0.40 -0.16 -1.12 0.00 0.00 0.00 175.76 174.11 1dqt s SER 18 N 1.62 2.19 0.11 0.00 0.01 -1.26 -0.41 113.70 115.96 1dqt s SER 18 Ca 0.05 -0.38 -0.23 0.00 1.31 0.00 0.00 55.95 56.71 1dqt s SER 18 Cb -0.13 -0.90 0.06 0.00 0.21 0.00 0.00 66.02 65.27 1dqt s SER 18 CO -0.09 0.10 0.57 0.72 0.41 0.00 0.00 173.24 174.94 1dqt s PHE 19 N 0.41 -0.48 0.27 2.43 -0.71 -0.53 -5.00 117.98 114.36 1dqt s PHE 19 Ca -0.13 0.38 -0.11 0.00 -1.04 0.00 0.00 56.93 56.03 1dqt s PHE 19 Cb -0.15 0.46 -0.08 0.00 -1.21 0.00 0.00 43.02 42.04 1dqt s PHE 19 CO 0.05 -0.76 0.62 -1.25 -1.34 0.00 0.00 175.22 172.53 1dqt s PRO 20 N -3.23 3.87 -0.23 1.99 0.04 -1.26 -0.86 135.00 135.32 1dqt s PRO 20 Ca -0.01 0.41 0.01 0.00 0.04 0.00 0.00 61.00 61.45 1dqt s PRO 20 Cb -0.00 -2.57 0.06 0.00 0.04 0.00 0.00 34.50 32.03 1dqt s PRO 20 CO -0.08 0.25 -0.06 0.00 0.04 0.00 0.00 177.00 177.15 1dqt s GLU 22 N 1.40 3.24 0.06 0.00 0.41 -0.05 -0.75 118.70 123.00 1dqt s GLU 22 Ca -0.05 -0.41 0.00 0.00 -0.41 0.00 0.00 54.97 54.10 1dqt s GLU 22 Cb -0.18 -2.97 -0.04 0.00 -1.78 0.00 0.00 34.13 29.16 1dqt s GLU 22 CO -0.06 0.66 -0.04 1.52 -0.49 0.00 0.00 175.26 176.84 1dqt s TYR 23 N -1.25 0.58 -0.08 1.61 1.13 -0.71 -0.22 117.35 118.40 1dqt s TYR 23 Ca 0.25 -0.88 -0.10 0.00 -1.41 0.00 0.00 57.07 54.92 1dqt s TYR 23 Cb -0.12 -0.39 0.02 0.00 -1.10 0.00 0.00 41.96 40.37 1dqt s TYR 23 CO 0.16 -0.26 0.27 0.45 -2.51 0.00 0.00 175.55 173.66 1dqt s SER 24 N -2.56 -0.24 0.65 -0.18 0.15 0.47 -4.54 113.70 107.45 1dqt s SER 24 Ca 0.02 0.40 -0.09 0.00 0.70 0.00 0.00 55.95 56.98 1dqt s SER 24 Cb 0.02 0.49 0.01 0.00 -1.71 0.00 0.00 66.02 64.83 1dqt s SER 24 CO -0.06 -0.19 1.00 -2.16 1.20 0.00 0.00 173.24 173.03 1dqt s PRO 25 N -0.27 2.93 0.31 5.44 0.04 -1.26 -0.02 135.00 142.17 1dqt s PRO 25 Ca -0.04 0.26 0.06 0.00 0.04 0.00 0.00 61.00 61.32 1dqt s PRO 25 Cb -0.03 -2.14 -0.06 0.00 0.04 0.00 0.00 34.50 32.30 1dqt s PRO 25 CO 0.01 -0.85 -0.03 -1.54 0.04 0.00 0.00 177.00 174.63 1dqt s SER 26 N -4.32 2.91 0.08 6.66 1.04 -1.26 -4.99 113.70 113.82 1dqt s SER 26 Ca 0.56 -1.25 -0.06 0.00 0.48 0.00 0.00 55.95 55.67 1dqt s SER 26 Cb -0.11 -0.20 -0.01 0.00 0.10 0.00 0.00 66.02 65.80 1dqt s SER 26 CO 0.49 -0.40 0.13 -1.00 0.98 0.00 0.00 173.24 173.44 1dqt s HIS 27 N -2.99 0.28 0.47 5.02 3.76 -1.26 -5.02 115.29 115.54 1dqt s HIS 27 Ca 0.32 -0.74 0.21 0.00 -0.15 0.00 0.00 55.06 54.70 1dqt s HIS 27 Cb 0.05 -0.16 1.32 0.00 1.11 0.00 0.00 32.58 34.91 1dqt s HIS 27 CO 0.14 -0.50 2.08 -0.91 -0.85 0.00 0.00 174.74 174.70 1dqt h ASN 28 N 2.86 0.00 -0.62 1.40 -0.26 -2.00 -2.60 115.58 114.36 1dqt h ASN 28 Ca -0.34 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.40 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 0.59 0.11 0.00 0.35 -1.06 0.00 0.00 177.43 177.42 1dqt n THR 29 N -4.05 1.89 -1.71 2.81 -2.24 -1.26 -4.97 114.28 104.75 1dqt n THR 29 Ca -0.02 -1.16 -0.42 0.00 -2.27 0.00 0.00 64.05 60.17 1dqt n THR 29 Cb 0.19 0.05 -0.01 0.00 -2.10 0.00 0.00 70.33 68.47 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 1.03 2.91 -3.80 3.42 10.43 -0.98 -4.26 116.55 125.31 1dqt n ASP 30 Ca 0.25 1.20 -0.22 0.00 2.57 0.00 0.00 54.79 58.60 1dqt n ASP 30 Cb 0.91 -1.50 -0.17 0.00 1.84 0.00 0.00 41.12 42.20 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 -1.75 0.61 0.21 -1.24 2.02 -0.34 -4.71 118.70 113.51 1dqt s GLU 31 Ca 0.56 0.06 0.08 0.00 0.02 0.00 0.00 54.97 55.70 1dqt s GLU 31 Cb -0.56 -0.88 -0.05 0.00 0.10 0.00 0.00 34.13 32.74 1dqt s GLU 31 CO 0.61 -0.24 -0.15 0.14 0.02 0.00 0.00 175.26 175.64 1dqt s VAL 32 N 1.64 1.84 -0.17 2.63 -7.23 -0.37 -0.72 120.40 118.02 1dqt s VAL 32 Ca -0.00 -2.22 0.00 0.00 -1.81 0.00 0.00 61.98 57.95 1dqt s VAL 32 Cb -0.13 -2.07 0.01 0.00 0.56 0.00 0.00 36.38 34.75 1dqt s VAL 32 CO -0.04 -0.56 -0.16 -0.60 -0.31 0.00 0.00 175.10 173.43 1dqt s ARG 33 N -3.58 3.14 -0.10 4.82 6.06 -0.40 0.15 118.95 129.04 1dqt s ARG 33 Ca 0.23 -0.78 0.02 0.00 -2.50 0.00 0.00 55.73 52.70 1dqt s ARG 33 Cb -0.02 -2.62 -0.02 0.00 0.06 0.00 0.00 34.95 32.36 1dqt s ARG 33 CO 0.08 -0.07 -0.16 0.08 -2.50 0.00 0.00 175.30 172.73 1dqt s VAL 34 N 1.02 2.85 -0.05 7.11 1.01 0.19 -1.04 120.40 131.48 1dqt s VAL 34 Ca -0.02 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.25 1dqt s VAL 34 Cb -0.15 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.08 1dqt s VAL 34 CO -0.04 0.55 -0.17 -0.89 0.00 0.00 0.00 175.10 174.55 1dqt s THR 35 N 0.06 1.41 -0.21 3.92 2.01 -0.32 -1.41 115.64 121.11 1dqt s THR 35 Ca -0.06 -0.68 -0.07 0.00 0.31 0.00 0.00 61.69 61.18 1dqt s THR 35 Cb -0.15 -1.23 -0.03 0.00 0.01 0.00 0.00 72.50 71.10 1dqt s THR 35 CO 0.05 0.41 0.05 -0.69 -0.69 0.00 0.00 174.62 173.75 1dqt s VAL 36 N 0.22 4.45 -0.05 3.82 1.01 -0.14 -0.39 120.40 129.33 1dqt s VAL 36 Ca -0.08 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 61.81 1dqt s VAL 36 Cb -0.13 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 1dqt s VAL 36 CO 0.03 0.41 -0.21 -0.76 0.00 0.00 0.00 175.10 174.57 1dqt s LEU 37 N 0.92 2.00 -0.20 3.92 1.43 0.16 -0.66 118.68 126.25 1dqt s LEU 37 Ca 0.03 -0.43 -0.10 0.00 -1.03 0.00 0.00 54.13 52.60 1dqt s LEU 37 Cb -0.14 -1.18 -0.05 0.00 0.03 0.00 0.00 46.19 44.86 1dqt s LEU 37 CO 0.03 0.21 0.12 -0.60 0.23 0.00 0.00 176.35 176.34 1dqt s ARG 38 N -0.14 4.15 -0.19 1.70 3.52 0.03 0.16 118.95 128.19 1dqt s ARG 38 Ca -0.02 -0.24 -0.09 0.00 -0.13 0.00 0.00 55.73 55.25 1dqt s ARG 38 Cb -0.12 -3.39 -0.05 0.00 -1.56 0.00 0.00 34.95 29.84 1dqt s ARG 38 CO 0.02 0.30 0.10 -1.14 -0.81 0.00 0.00 175.30 173.77 1dqt s GLN 39 N 0.35 4.08 0.00 5.12 0.74 0.37 -0.66 119.66 129.66 1dqt s GLN 39 Ca 0.07 -0.28 0.00 0.00 0.05 0.00 0.00 55.36 55.20 1dqt s GLN 39 Cb -0.11 -3.33 0.00 0.00 1.10 0.00 0.00 33.01 30.66 1dqt s GLN 39 CO -0.02 0.27 0.00 0.25 -0.55 0.00 0.00 175.29 175.24 1dqt n THR 40 N 3.59 0.00 -1.82 -0.34 -2.24 -0.26 -4.25 114.28 108.97 1dqt n THR 40 Ca -0.16 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.30 1dqt n THR 40 Cb 0.52 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.71 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 4.78 0.00 3.42 0.01 -1.26 -3.65 114.94 119.23 1dqt s ASN 41 Ca 0.00 0.34 0.00 0.00 -0.71 0.00 0.00 52.86 52.49 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 -2.83 0.00 0.47 -1.51 0.00 0.00 177.10 173.23 1dqt n ASP 42 N 14.86 0.00 -4.73 -1.22 9.92 -1.26 -4.95 116.55 129.16 1dqt n ASP 42 Ca 0.33 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 54.34 1dqt n ASP 42 Cb 0.51 -0.03 -0.07 0.00 -0.64 0.00 0.00 41.12 40.88 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 0.01 -1.24 -0.21 -1.24 -5.14 119.66 114.05 1dqt s GLN 43 Ca 0.00 -1.85 0.06 0.00 0.02 0.00 0.00 55.36 53.59 1dqt s GLN 43 Cb 0.00 -1.97 -0.02 0.00 1.00 0.00 0.00 33.01 32.02 1dqt s GLN 43 CO 0.00 -0.11 -0.18 -1.64 -2.12 0.00 0.00 175.29 171.24 1dqt s MET 44 N -3.89 1.39 -0.14 2.91 -1.94 -1.26 -1.10 119.30 115.26 1dqt s MET 44 Ca 0.41 -0.75 0.02 0.00 -1.71 0.00 0.00 55.69 53.65 1dqt s MET 44 Cb 0.04 -1.40 0.00 0.00 2.01 0.00 0.00 34.83 35.49 1dqt s MET 44 CO 0.22 0.37 -0.20 0.99 -0.01 0.00 0.00 175.02 176.40 1dqt s THR 45 N -0.59 2.29 0.01 2.05 2.01 0.16 -4.93 115.64 116.64 1dqt s THR 45 Ca 0.07 -0.90 -0.30 0.00 0.31 0.00 0.00 61.69 60.86 1dqt s THR 45 Cb -0.08 -1.93 -0.05 0.00 0.01 0.00 0.00 72.50 70.45 1dqt s THR 45 CO 0.00 0.54 1.33 -0.70 -0.69 0.00 0.00 174.62 175.10 1dqt s GLU 46 N 0.78 4.32 -0.17 4.92 2.12 -1.26 -0.79 118.70 128.62 1dqt s GLU 46 Ca -0.07 1.89 -0.19 0.00 0.36 0.00 0.00 54.97 56.96 1dqt s GLU 46 Cb -0.16 -3.51 -0.16 0.00 0.26 0.00 0.00 34.13 30.57 1dqt s GLU 46 CO -0.00 -0.49 0.25 0.28 -0.54 0.00 0.00 175.26 174.75 1dqt h VAL 47 N 4.81 0.85 -2.50 3.70 2.07 -1.25 -3.48 116.25 120.45 1dqt h VAL 47 Ca -0.38 -1.86 0.10 0.00 0.82 0.00 0.00 66.70 65.38 1dqt h VAL 47 Cb 1.18 1.83 -0.11 0.00 -1.52 0.00 0.00 31.29 32.67 1dqt h VAL 47 CO 0.88 0.29 0.41 0.00 0.02 0.00 0.00 177.57 179.17 1dqt s ALA 49 N -3.37 -1.24 0.20 0.00 0.00 -1.26 -0.96 121.76 115.13 1dqt s ALA 49 Ca 0.07 0.42 -0.22 0.00 0.00 0.00 0.00 51.96 52.24 1dqt s ALA 49 Cb -0.02 0.49 0.05 0.00 0.00 0.00 0.00 23.12 23.65 1dqt s ALA 49 CO -0.05 -0.55 0.62 -0.08 0.00 0.00 0.00 175.76 175.70 1dqt s THR 50 N -2.85 0.00 -0.06 0.00 -1.32 -0.50 -4.73 115.64 106.18 1dqt s THR 50 Ca -0.03 -0.37 0.02 0.00 -1.21 0.00 0.00 61.69 60.10 1dqt s THR 50 Cb -0.00 -1.34 -0.03 0.00 -1.51 0.00 0.00 72.50 69.62 1dqt s THR 50 CO -0.05 -0.02 -0.10 -0.89 -2.21 0.00 0.00 174.62 171.35 1dqt s THR 51 N -3.81 3.41 -0.18 5.08 2.01 -1.26 -0.64 115.64 120.25 1dqt s THR 51 Ca 0.05 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.47 1dqt s THR 51 Cb -0.02 -2.37 0.02 0.00 0.01 0.00 0.00 72.50 70.14 1dqt s THR 51 CO -0.06 0.59 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.92 1dqt s PHE 52 N -0.70 2.63 -1.07 4.92 0.40 0.12 -4.89 117.98 119.38 1dqt s PHE 52 Ca 0.11 -1.58 0.12 0.00 -0.60 0.00 0.00 56.93 54.98 1dqt s PHE 52 Cb -0.11 -1.82 -0.01 0.00 0.51 0.00 0.00 43.02 41.59 1dqt s PHE 52 CO 0.01 -0.77 0.70 0.25 0.70 0.00 0.00 175.22 176.11 1dqt n THR 53 N 4.65 0.00 -3.64 0.64 -2.24 -1.26 -1.23 114.28 111.20 1dqt n THR 53 Ca -0.19 -0.36 -0.16 0.00 -2.27 0.00 0.00 64.05 61.07 1dqt n THR 53 Cb 0.49 1.13 -0.07 0.00 -2.10 0.00 0.00 70.33 69.78 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 -1.60 0.87 0.82 -0.78 -1.05 -1.26 -4.85 118.70 110.84 1dqt s GLU 54 Ca 0.10 0.04 -0.11 0.00 -0.15 0.00 0.00 54.97 54.84 1dqt s GLU 54 Cb 0.10 0.40 0.08 0.00 -0.44 0.00 0.00 34.13 34.27 1dqt s GLU 54 CO 0.32 -0.26 1.10 0.15 0.95 0.00 0.00 175.26 177.52 1dqt s LYS 55 N -1.26 1.91 -1.46 -4.83 3.01 -1.26 -3.98 119.74 111.87 1dqt s LYS 55 Ca -0.12 0.67 -0.09 0.00 -1.01 0.00 0.00 55.97 55.41 1dqt s LYS 55 Cb -0.03 -1.90 0.04 0.00 -1.01 0.00 0.00 37.83 34.94 1dqt s LYS 55 CO 0.07 -1.75 0.88 0.09 0.51 0.00 0.00 175.35 175.15 1dqt n ASN 56 N -3.52 -5.55 -4.14 2.83 5.03 -0.99 -5.00 115.26 103.92 1dqt n ASN 56 Ca 0.07 -0.52 -0.24 0.00 0.87 0.00 0.00 54.58 54.77 1dqt n ASN 56 Cb 0.56 -4.44 -0.15 0.00 -1.02 0.00 0.00 39.78 34.73 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 -3.22 1.24 0.00 3.41 2.01 -1.26 -5.04 115.64 112.79 1dqt s THR 57 Ca 0.51 -0.67 -0.23 0.00 0.31 0.00 0.00 61.69 61.60 1dqt s THR 57 Cb -0.24 -1.04 -0.05 0.00 0.01 0.00 0.00 72.50 71.19 1dqt s THR 57 CO 0.63 0.35 0.70 -0.69 -0.69 0.00 0.00 174.62 174.92 1dqt s VAL 58 N -0.36 4.87 0.11 3.82 1.01 -1.26 -3.92 120.40 124.66 1dqt s VAL 58 Ca 0.06 1.47 0.01 0.00 0.00 0.00 0.00 61.98 63.52 1dqt s VAL 58 Cb -0.06 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.28 1dqt s VAL 58 CO -0.01 0.35 0.06 0.61 0.00 0.00 0.00 175.10 176.11 1dqt n GLY 59 N 2.60 3.33 2.92 4.51 0.00 0.11 -4.73 105.19 113.93 1dqt n GLY 59 Ca -0.03 -2.21 -0.21 0.00 0.00 0.00 0.00 46.02 43.56 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 -0.61 -1.73 0.28 1.61 3.01 -1.26 -3.72 117.46 115.04 1dqt n PHE 60 Ca -0.02 0.38 0.14 0.00 1.01 0.00 0.00 57.45 58.96 1dqt n PHE 60 Cb 0.13 -3.99 0.87 0.00 -0.01 0.00 0.00 39.48 36.47 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 -0.96 0.00 -2.11 4.37 4.07 -1.85 -1.81 115.31 117.02 1dqt h LEU 61 Ca -0.49 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.47 1dqt h LEU 61 Cb 1.34 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.08 1dqt h LEU 61 CO 0.55 0.00 0.00 -0.90 -1.08 0.00 0.00 178.44 177.01 1dqt n ASP 62 N -3.95 3.12 -4.15 -0.43 3.85 -1.26 -4.78 116.55 108.94 1dqt n ASP 62 Ca -0.03 -2.12 -0.33 0.00 -0.71 0.00 0.00 54.79 51.61 1dqt n ASP 62 Cb 0.11 -0.40 -0.15 0.00 -1.35 0.00 0.00 41.12 39.32 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 -1.46 2.92 0.37 2.11 1.51 -0.68 -4.99 117.35 117.12 1dqt s TYR 63 Ca 0.36 -1.64 0.18 0.00 -1.01 0.00 0.00 57.07 54.96 1dqt s TYR 63 Cb 0.20 -1.97 0.95 0.00 -0.11 0.00 0.00 41.96 41.04 1dqt s TYR 63 CO 0.22 -0.77 1.90 -1.35 -1.11 0.00 0.00 175.55 174.44 1dqt h PRO 64 N 7.95 0.00 -0.55 -1.71 0.11 -1.86 -3.21 132.00 132.73 1dqt h PRO 64 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1dqt h PRO 64 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1dqt h PRO 64 CO 0.60 0.28 0.00 1.97 -0.21 0.00 0.00 178.00 180.63 1dqt n PHE 65 N -3.94 0.72 -3.98 0.65 1.16 -1.26 -4.91 117.46 105.90 1dqt n PHE 65 Ca -0.02 -0.36 -0.09 0.00 -1.87 0.00 0.00 57.45 55.11 1dqt n PHE 65 Cb 0.35 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.11 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 -1.65 -0.21 0.00 0.00 0.15 -0.42 -4.68 113.70 106.90 1dqt s SER 67 Ca -0.13 -0.70 0.00 0.00 0.70 0.00 0.00 55.95 55.82 1dqt s SER 67 Cb -0.07 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 1dqt s SER 67 CO -0.02 -1.28 0.00 0.61 1.20 0.00 0.00 173.24 173.75 1dqt n GLY 68 N -0.44 1.09 3.29 9.45 0.00 -1.24 -1.18 105.19 116.16 1dqt n GLY 68 Ca -0.03 -0.94 -0.15 0.00 0.00 0.00 0.00 46.02 44.90 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 0.84 -0.00 2.61 -4.23 -0.48 -0.71 115.64 111.67 1dqt s THR 69 Ca 0.00 -2.01 0.01 0.00 -1.18 0.00 0.00 61.69 58.51 1dqt s THR 69 Cb 0.00 -2.25 -0.00 0.00 1.34 0.00 0.00 72.50 71.59 1dqt s THR 69 CO 0.00 -0.38 -0.04 0.12 -0.54 0.00 0.00 174.62 173.78 1dqt s PHE 70 N -3.55 0.35 0.10 3.99 5.36 -1.25 -0.68 117.98 122.30 1dqt s PHE 70 Ca 0.27 -0.08 -0.07 0.00 -0.96 0.00 0.00 56.93 56.09 1dqt s PHE 70 Cb 0.06 -0.23 -0.01 0.00 -0.34 0.00 0.00 43.02 42.50 1dqt s PHE 70 CO 0.07 -0.01 0.17 1.21 -1.46 0.00 0.00 175.22 175.20 1dqt s ASN 71 N -0.13 0.16 -0.14 6.13 3.84 -0.50 -2.34 114.94 121.96 1dqt s ASN 71 Ca 0.01 -0.78 -0.39 0.00 0.21 0.00 0.00 52.86 51.91 1dqt s ASN 71 Cb -0.02 0.34 -0.16 0.00 -0.55 0.00 0.00 41.25 40.86 1dqt s ASN 71 CO -0.00 -0.75 1.58 1.21 -2.79 0.00 0.00 177.10 176.35 1dqt n GLU 72 N -0.07 1.10 -0.38 0.43 2.13 -1.26 -0.87 120.64 121.72 1dqt n GLU 72 Ca -0.13 0.40 0.00 0.00 0.66 0.00 0.00 57.16 58.10 1dqt n GLU 72 Cb 0.62 -2.06 0.00 0.00 0.27 0.00 0.00 31.44 30.27 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 4.23 0.00 -3.73 4.31 3.41 -1.26 -5.00 113.62 115.58 1dqt n SER 73 Ca 0.23 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.72 1dqt n SER 73 Cb 0.15 -0.16 -0.12 0.00 -0.26 0.00 0.00 64.21 63.82 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 -0.03 0.28 -0.16 4.33 3.52 -0.05 -1.74 118.95 125.10 1dqt s ARG 74 Ca 0.00 0.56 -0.03 0.00 -0.13 0.00 0.00 55.73 56.13 1dqt s ARG 74 Cb 0.00 -0.02 -0.02 0.00 -1.56 0.00 0.00 34.95 33.34 1dqt s ARG 74 CO 0.00 -0.13 -0.06 0.08 -0.81 0.00 0.00 175.30 174.38 1dqt s VAL 75 N 1.01 3.64 -0.42 7.11 1.01 0.07 -1.41 120.40 131.42 1dqt s VAL 75 Ca -0.07 -0.44 -0.16 0.00 0.00 0.00 0.00 61.98 61.31 1dqt s VAL 75 Cb -0.08 -2.59 0.02 0.00 0.00 0.00 0.00 36.38 33.73 1dqt s VAL 75 CO -0.07 0.49 0.34 0.20 0.00 0.00 0.00 175.10 176.06 1dqt s ASN 76 N 0.51 6.13 0.10 3.32 0.01 0.14 0.07 114.94 125.22 1dqt s ASN 76 Ca -0.04 -0.86 -0.04 0.00 -0.71 0.00 0.00 52.86 51.21 1dqt s ASN 76 Cb -0.15 -2.18 -0.05 0.00 0.41 0.00 0.00 41.25 39.29 1dqt s ASN 76 CO 0.03 -0.49 0.31 -0.76 -1.51 0.00 0.00 177.10 174.68 1dqt s LEU 77 N 1.80 4.31 -0.05 0.60 1.43 -0.04 -1.38 118.68 125.35 1dqt s LEU 77 Ca 0.07 0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 53.65 1dqt s LEU 77 Cb -0.19 -3.11 0.04 0.00 0.03 0.00 0.00 46.19 42.96 1dqt s LEU 77 CO 0.11 0.12 0.11 -0.89 0.23 0.00 0.00 176.35 176.02 1dqt s THR 78 N -1.56 -0.09 -0.13 5.49 2.01 -0.32 -1.45 115.64 119.59 1dqt s THR 78 Ca 0.37 0.24 0.02 0.00 0.31 0.00 0.00 61.69 62.63 1dqt s THR 78 Cb -0.13 -0.19 0.00 0.00 0.01 0.00 0.00 72.50 72.19 1dqt s THR 78 CO 0.24 0.10 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.44 1dqt s ILE 79 N 1.39 2.34 0.49 1.82 1.01 0.45 -1.30 121.20 127.41 1dqt s ILE 79 Ca -0.06 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 59.73 1dqt s ILE 79 Cb -0.12 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.39 1dqt s ILE 79 CO -0.05 0.54 0.13 -1.10 0.00 0.00 0.00 174.94 174.46 1dqt s GLN 80 N 0.60 2.19 -1.79 2.79 -0.21 -0.15 -0.70 119.66 122.40 1dqt s GLN 80 Ca -0.11 -2.19 0.00 0.00 0.02 0.00 0.00 55.36 53.08 1dqt s GLN 80 Cb -0.16 -1.75 0.00 0.00 1.00 0.00 0.00 33.01 32.10 1dqt s GLN 80 CO 0.03 -0.35 0.00 0.41 -2.12 0.00 0.00 175.29 173.26 1dqt n GLY 81 N -1.34 0.96 3.75 3.09 0.00 -0.96 -4.83 105.19 105.86 1dqt n GLY 81 Ca -0.11 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 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 -4.54 4.50 0.46 0.99 1.43 -0.40 -5.02 118.68 116.10 1dqt s LEU 82 Ca 0.00 2.27 0.06 0.00 -1.03 0.00 0.00 54.13 55.44 1dqt s LEU 82 Cb 0.00 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.58 1dqt s LEU 82 CO 0.00 -0.27 0.25 -0.13 0.23 0.00 0.00 176.35 176.43 1dqt s ARG 83 N -0.92 2.27 0.25 1.70 0.52 -1.26 -4.27 118.95 117.25 1dqt s ARG 83 Ca 0.48 -1.91 -0.03 0.00 -0.52 0.00 0.00 55.73 53.76 1dqt s ARG 83 Cb -0.33 -2.02 0.46 0.00 0.52 0.00 0.00 34.95 33.58 1dqt s ARG 83 CO 0.40 -0.29 1.79 0.00 0.02 0.00 0.00 175.30 177.22 1dqt h ALA 84 N 1.18 1.24 0.00 2.13 0.00 -1.97 0.76 119.26 122.60 1dqt h ALA 84 Ca -0.41 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1dqt h ALA 84 Cb 1.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1dqt h ALA 84 CO 0.65 0.03 0.00 1.33 0.00 0.00 0.00 179.25 181.27 1dqt n VAL 85 N -4.78 0.67 1.49 0.00 0.24 -1.26 -2.61 118.33 112.07 1dqt n VAL 85 Ca 0.15 0.17 0.14 0.00 -2.04 0.00 0.00 64.34 62.76 1dqt n VAL 85 Cb 0.34 -0.90 0.58 0.00 -1.47 0.00 0.00 33.84 32.39 1dqt n VAL 85 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1dqt n ASP 86 N -1.35 0.90 -4.74 -1.34 10.43 0.26 -4.88 116.55 115.82 1dqt n ASP 86 Ca 0.06 -1.04 -0.42 0.00 2.57 0.00 0.00 54.79 55.97 1dqt n ASP 86 Cb 0.14 0.01 -0.02 0.00 1.84 0.00 0.00 41.12 43.10 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 -0.49 1.06 -3.42 -3.53 -1.04 -1.07 -4.88 114.28 100.91 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 0.30 -1.95 0.00 0.00 -1.82 0.00 0.00 70.33 66.86 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 2.09 -1.36 3.69 3.41 0.00 -0.69 -5.00 105.19 107.32 1dqt n GLY 88 Ca 0.08 -1.06 -0.37 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 4.17 -0.18 0.99 2.96 -1.26 -0.91 118.68 124.45 1dqt s LEU 89 Ca 0.00 0.36 0.01 0.00 -0.22 0.00 0.00 54.13 54.28 1dqt s LEU 89 Cb 0.00 -2.31 0.03 0.00 0.50 0.00 0.00 46.19 44.41 1dqt s LEU 89 CO 0.00 0.04 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.60 1dqt s TYR 90 N 0.92 2.61 -0.02 5.38 1.51 -0.46 -0.48 117.35 126.82 1dqt s TYR 90 Ca 0.14 -1.60 -0.15 0.00 -1.01 0.00 0.00 57.07 54.44 1dqt s TYR 90 Cb -0.13 -1.79 -0.06 0.00 -0.11 0.00 0.00 41.96 39.87 1dqt s TYR 90 CO 0.05 -0.77 0.42 -0.51 -1.11 0.00 0.00 175.55 173.63 1dqt s LEU 91 N 1.34 4.44 -0.19 -1.29 2.01 0.43 -0.49 118.68 124.93 1dqt s LEU 91 Ca 0.02 0.95 -0.08 0.00 0.01 0.00 0.00 54.13 55.03 1dqt s LEU 91 Cb -0.14 -2.61 -0.04 0.00 0.01 0.00 0.00 46.19 43.41 1dqt s LEU 91 CO -0.11 0.27 0.07 0.00 1.01 0.00 0.00 176.35 177.59 1dqt s LYS 93 N 0.54 2.98 -0.09 0.00 2.20 0.47 -0.72 119.74 125.12 1dqt s LYS 93 Ca 0.03 -0.83 0.03 0.00 -0.36 0.00 0.00 55.97 54.84 1dqt s LYS 93 Cb -0.13 -2.35 0.01 0.00 -1.51 0.00 0.00 37.83 33.85 1dqt s LYS 93 CO 0.01 0.26 -0.18 0.08 -0.36 0.00 0.00 175.35 175.16 1dqt s VAL 94 N 0.16 1.65 -0.17 4.02 1.01 0.72 -1.17 120.40 126.61 1dqt s VAL 94 Ca -0.12 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.09 1dqt s VAL 94 Cb -0.16 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.76 1dqt s VAL 94 CO 0.07 0.47 -0.14 -0.70 0.00 0.00 0.00 175.10 174.79 1dqt s GLU 95 N 0.60 3.19 -0.57 2.72 2.12 -0.21 -0.65 118.70 125.89 1dqt s GLU 95 Ca -0.15 -0.75 -0.23 0.00 0.36 0.00 0.00 54.97 54.21 1dqt s GLU 95 Cb -0.17 -2.69 0.05 0.00 0.26 0.00 0.00 34.13 31.59 1dqt s GLU 95 CO 0.05 -0.08 0.90 -1.17 -0.54 0.00 0.00 175.26 174.41 1dqt s LEU 96 N 1.07 4.31 0.35 2.70 2.96 0.52 -1.28 118.68 129.31 1dqt s LEU 96 Ca -0.00 -0.60 0.24 0.00 -0.22 0.00 0.00 54.13 53.54 1dqt s LEU 96 Cb -0.14 -2.66 0.39 0.00 0.50 0.00 0.00 46.19 44.27 1dqt s LEU 96 CO -0.04 -1.23 1.55 0.24 -1.32 0.00 0.00 176.35 175.56 1dqt h MET 97 N 9.33 0.00 -1.52 1.98 2.86 -1.22 -3.28 114.93 123.07 1dqt h MET 97 Ca -0.27 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.46 1dqt h MET 97 Cb 1.08 0.00 -0.26 0.00 0.06 0.00 0.00 31.60 32.48 1dqt h MET 97 CO 1.09 0.00 0.54 -0.47 1.06 0.00 0.00 176.91 179.14 1dqt s TYR 98 N -3.21 -0.38 0.71 -0.22 5.04 -1.14 -4.80 117.35 113.35 1dqt s TYR 98 Ca 0.07 0.84 -0.08 0.00 -2.44 0.00 0.00 57.07 55.46 1dqt s TYR 98 Cb 0.07 0.41 0.06 0.00 0.35 0.00 0.00 41.96 42.85 1dqt s TYR 98 CO 0.67 -0.24 1.03 -1.25 -1.34 0.00 0.00 175.55 174.42 1dqt s PRO 99 N -0.31 2.28 0.69 4.97 0.04 -1.26 -1.19 135.00 140.22 1dqt s PRO 99 Ca 0.02 -0.13 -0.15 0.00 0.04 0.00 0.00 61.00 60.78 1dqt s PRO 99 Cb -0.03 -2.14 0.02 0.00 0.04 0.00 0.00 34.50 32.39 1dqt s PRO 99 CO -0.04 -1.22 1.17 -2.14 0.04 0.00 0.00 177.00 174.80 1dqt s PRO 100 N -5.27 2.46 0.59 0.56 0.02 -1.26 -4.56 135.00 127.53 1dqt s PRO 100 Ca 0.60 1.63 -0.09 0.00 0.02 0.00 0.00 61.00 63.15 1dqt s PRO 100 Cb -0.11 -1.89 -0.03 0.00 0.02 0.00 0.00 34.50 32.50 1dqt s PRO 100 CO 0.46 -1.56 0.97 -1.25 -0.33 0.00 0.00 177.00 175.28 1dqt s PRO 101 N -3.92 3.46 0.34 5.54 0.04 -1.26 -5.14 135.00 134.06 1dqt s PRO 101 Ca 0.72 0.53 -0.28 0.00 0.04 0.00 0.00 61.00 62.01 1dqt s PRO 101 Cb -0.26 -2.16 -0.09 0.00 0.04 0.00 0.00 34.50 32.03 1dqt s PRO 101 CO 0.42 -0.54 1.16 -0.47 0.04 0.00 0.00 177.00 177.62 1dqt s TYR 102 N -3.08 3.28 -0.05 0.56 5.04 -1.26 -4.93 117.35 116.92 1dqt s TYR 102 Ca 0.53 1.59 -0.24 0.00 -2.44 0.00 0.00 57.07 56.51 1dqt s TYR 102 Cb -0.11 -3.40 0.05 0.00 0.35 0.00 0.00 41.96 38.85 1dqt s TYR 102 CO 0.51 -1.09 0.53 -0.59 -1.34 0.00 0.00 175.55 173.57 1dqt s PHE 103 N -1.26 -0.47 0.01 4.97 -0.12 -1.24 -5.02 117.98 114.85 1dqt s PHE 103 Ca 0.50 0.81 0.01 0.00 -0.05 0.00 0.00 56.93 58.20 1dqt s PHE 103 Cb -0.33 0.28 -0.01 0.00 -0.63 0.00 0.00 43.02 42.33 1dqt s PHE 103 CO 0.42 -0.50 -0.03 0.08 -0.05 0.00 0.00 175.22 175.13 1dqt s VAL 104 N -1.15 0.24 0.17 -2.49 1.01 -1.26 -0.36 120.40 116.55 1dqt s VAL 104 Ca -0.11 -0.32 -0.10 0.00 0.00 0.00 0.00 61.98 61.44 1dqt s VAL 104 Cb -0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 36.38 36.11 1dqt s VAL 104 CO 0.07 -0.06 0.32 -0.83 0.00 0.00 0.00 175.10 174.60 1dqt s GLY 105 N -0.40 0.37 0.01 4.51 0.00 0.17 -5.00 107.32 106.98 1dqt s GLY 105 Ca -0.02 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 43.93 1dqt s GLY 105 CO -0.00 -0.74 -0.02 -0.29 0.00 0.00 0.00 173.10 172.05 1dqt s MET 106 N -3.95 0.19 0.85 2.90 1.75 -1.26 -0.20 119.30 119.57 1dqt s MET 106 Ca 0.15 -0.28 -0.13 0.00 -1.25 0.00 0.00 55.69 54.19 1dqt s MET 106 Cb 0.03 -0.03 0.12 0.00 2.84 0.00 0.00 34.83 37.79 1dqt s MET 106 CO -0.01 -0.00 1.21 0.20 -0.65 0.00 0.00 175.02 175.77 1dqt s GLY 107 N -0.62 1.67 0.00 2.11 0.00 0.10 -4.52 107.32 106.05 1dqt s GLY 107 Ca -0.06 -0.88 0.27 0.00 0.00 0.00 0.00 44.72 44.05 1dqt s GLY 107 CO -0.00 -0.30 1.90 0.70 0.00 0.00 0.00 173.10 175.40 1dqt n ASN 108 N -3.42 0.00 0.00 1.64 5.03 -1.26 -4.62 115.26 112.63 1dqt n ASN 108 Ca 0.11 0.07 0.00 0.00 0.87 0.00 0.00 54.58 55.63 1dqt n ASN 108 Cb 0.60 -0.35 0.00 0.00 -1.02 0.00 0.00 39.78 39.02 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 1.07 2.41 3.46 7.41 0.00 -1.26 -4.95 105.19 113.33 1dqt n GLY 109 Ca 0.11 -1.63 -0.34 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.36 3.88 -0.38 2.61 2.01 0.36 -4.54 115.64 118.23 1dqt s THR 110 Ca 0.00 -0.35 -0.26 0.00 0.31 0.00 0.00 61.69 61.39 1dqt s THR 110 Cb 0.00 -2.73 0.02 0.00 0.01 0.00 0.00 72.50 69.80 1dqt s THR 110 CO 0.00 0.46 0.94 -1.10 -0.69 0.00 0.00 174.62 174.23 1dqt s GLN 111 N 0.73 3.82 -0.26 4.92 -0.21 0.10 -1.35 119.66 127.41 1dqt s GLN 111 Ca -0.01 0.56 -0.10 0.00 0.02 0.00 0.00 55.36 55.83 1dqt s GLN 111 Cb -0.14 -3.81 -0.05 0.00 1.00 0.00 0.00 33.01 30.00 1dqt s GLN 111 CO 0.02 -0.98 0.16 0.42 -2.12 0.00 0.00 175.29 172.79 1dqt s ILE 112 N 3.54 5.22 -0.29 1.08 1.01 -0.08 -0.90 121.20 130.78 1dqt s ILE 112 Ca 0.39 0.14 -0.08 0.00 0.00 0.00 0.00 60.65 61.10 1dqt s ILE 112 Cb -0.12 -3.46 0.00 0.00 0.01 0.00 0.00 42.46 38.89 1dqt s ILE 112 CO 0.20 0.30 0.10 -0.31 0.00 0.00 0.00 174.94 175.22 1dqt s TYR 113 N 1.46 3.15 -1.05 3.97 1.51 -0.47 -1.70 117.35 124.21 1dqt s TYR 113 Ca 0.07 -0.82 -0.14 0.00 -1.01 0.00 0.00 57.07 55.17 1dqt s TYR 113 Cb -0.15 -2.28 0.19 0.00 -0.11 0.00 0.00 41.96 39.61 1dqt s TYR 113 CO 0.08 -0.52 1.17 0.08 -1.11 0.00 0.00 175.55 175.25 1dqt s VAL 114 N 1.54 5.27 -0.17 0.71 1.01 -1.26 -1.37 120.40 126.12 1dqt s VAL 114 Ca 0.04 -2.51 -0.26 0.00 0.00 0.00 0.00 61.98 59.25 1dqt s VAL 114 Cb -0.17 -4.74 -0.01 0.00 0.00 0.00 0.00 36.38 31.46 1dqt s VAL 114 CO 0.03 -1.40 0.85 -0.63 0.00 0.00 0.00 175.10 173.96 1dqt s ILE 115 N 1.00 4.86 -0.22 2.22 1.01 -1.26 -4.56 121.20 124.25 1dqt s ILE 115 Ca 0.33 1.67 -0.20 0.00 0.00 0.00 0.00 60.65 62.46 1dqt s ILE 115 Cb -0.06 -4.16 0.03 0.00 0.01 0.00 0.00 42.46 38.28 1dqt s ILE 115 CO -0.06 0.01 0.33 0.47 0.00 0.00 0.00 174.94 175.69 1dqt n ASP 116 N 5.31 -4.77 0.00 3.58 8.00 -1.26 -4.77 116.55 122.64 1dqt n ASP 116 Ca 0.05 0.04 0.06 0.00 0.71 0.00 0.00 54.79 55.65 1dqt n ASP 116 Cb 0.49 -1.28 0.35 0.00 -0.02 0.00 0.00 41.12 40.65 1dqt n ASP 116 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00