#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d4b h GLU 2 N 0.00 -0.58 -3.97 2.12 4.81 -2.15 -3.43 114.58 111.38 1d4b h GLU 2 Ca 0.00 0.04 -0.39 0.00 -0.13 0.00 0.00 59.36 58.88 1d4b h GLU 2 Cb 0.00 0.13 -0.34 0.00 0.63 0.00 0.00 28.75 29.18 1d4b h GLU 2 CO 0.00 -0.31 -0.77 -0.47 -0.73 0.00 0.00 179.01 176.74 1d4b s TYR 3 N -5.36 0.63 0.07 0.92 5.04 -1.26 -5.14 117.35 112.24 1d4b s TYR 3 Ca -0.15 -0.15 -0.01 0.00 -2.44 0.00 0.00 57.07 54.32 1d4b s TYR 3 Cb 0.03 -0.58 -0.04 0.00 0.35 0.00 0.00 41.96 41.72 1d4b s TYR 3 CO 0.58 -0.16 0.23 -0.51 -1.34 0.00 0.00 175.55 174.34 1d4b s LEU 4 N 0.87 4.35 -0.29 6.97 2.01 -1.26 -5.08 118.68 126.24 1d4b s LEU 4 Ca -0.11 0.32 -0.01 0.00 0.01 0.00 0.00 54.13 54.33 1d4b s LEU 4 Cb -0.14 -2.99 0.19 0.00 0.01 0.00 0.00 46.19 43.26 1d4b s LEU 4 CO -0.00 0.16 0.78 -0.55 1.01 0.00 0.00 176.35 177.75 1d4b s SER 5 N -2.47 -1.12 0.04 2.29 0.15 -1.26 -5.04 113.70 106.28 1d4b s SER 5 Ca 0.35 0.16 0.00 0.00 0.70 0.00 0.00 55.95 57.17 1d4b s SER 5 Cb -0.13 1.73 0.00 0.00 -1.71 0.00 0.00 66.02 65.91 1d4b s SER 5 CO 0.27 -0.21 0.00 0.00 1.20 0.00 0.00 173.24 174.51 1d4b n ALA 6 N 5.30 2.01 -3.87 5.45 0.00 -1.26 -5.07 120.51 123.07 1d4b n ALA 6 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.17 1d4b n ALA 6 Cb 0.55 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.86 1d4b n ALA 6 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1d4b s LEU 7 N -5.24 2.98 0.47 0.00 1.98 -1.26 -5.11 118.68 112.51 1d4b s LEU 7 Ca 0.00 -0.90 -0.18 0.00 -2.89 0.00 0.00 54.13 50.17 1d4b s LEU 7 Cb 0.00 -1.60 -0.09 0.00 0.66 0.00 0.00 46.19 45.16 1d4b s LEU 7 CO 0.00 -0.11 0.95 0.20 -1.89 0.00 0.00 176.35 175.50 1d4b s ASN 8 N 1.28 6.72 0.95 3.68 -0.87 -1.26 -5.05 114.94 120.40 1d4b s ASN 8 Ca -0.00 1.57 -0.13 0.00 -1.57 0.00 0.00 52.86 52.73 1d4b s ASN 8 Cb -0.16 -2.50 0.16 0.00 -0.02 0.00 0.00 41.25 38.73 1d4b s ASN 8 CO -0.06 -0.49 1.13 -2.16 -2.57 0.00 0.00 177.10 172.94 1d4b s PRO 9 N -3.73 0.82 -0.03 -0.60 0.04 -1.26 -5.08 135.00 125.17 1d4b s PRO 9 Ca 0.59 0.33 -0.00 0.00 0.04 0.00 0.00 61.00 61.95 1d4b s PRO 9 Cb -0.10 -1.80 0.03 0.00 0.04 0.00 0.00 34.50 32.67 1d4b s PRO 9 CO 0.25 -2.42 0.03 0.45 0.04 0.00 0.00 177.00 175.35 1d4b s SER 10 N -3.87 0.35 -0.26 6.66 0.15 -1.26 -5.12 113.70 110.36 1d4b s SER 10 Ca 0.65 0.04 0.01 0.00 0.70 0.00 0.00 55.95 57.35 1d4b s SER 10 Cb -0.16 -0.10 0.07 0.00 -1.71 0.00 0.00 66.02 64.12 1d4b s SER 10 CO 0.55 -0.16 -0.02 -1.81 1.20 0.00 0.00 173.24 173.00 1d4b s ASP 11 N 1.33 3.96 -0.04 5.45 1.01 -1.26 -5.11 116.67 122.01 1d4b s ASP 11 Ca -0.06 -1.34 0.03 0.00 0.71 0.00 0.00 52.55 51.89 1d4b s ASP 11 Cb -0.13 -1.18 -0.03 0.00 1.01 0.00 0.00 42.92 42.59 1d4b s ASP 11 CO -0.03 -0.28 -0.09 -0.22 0.21 0.00 0.00 175.17 174.76 1d4b s LEU 12 N 1.37 3.03 -0.21 1.23 2.96 -1.26 -5.10 118.68 120.71 1d4b s LEU 12 Ca -0.02 -0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 53.76 1d4b s LEU 12 Cb -0.19 -1.68 0.06 0.00 0.50 0.00 0.00 46.19 44.88 1d4b s LEU 12 CO -0.09 0.33 -0.01 -0.22 -1.32 0.00 0.00 176.35 175.05 1d4b s LEU 13 N -1.00 1.77 -0.35 -0.68 2.96 -1.26 -5.00 118.68 115.11 1d4b s LEU 13 Ca 0.14 -0.95 0.13 0.00 -0.22 0.00 0.00 54.13 53.23 1d4b s LEU 13 Cb -0.11 -0.85 0.45 0.00 0.50 0.00 0.00 46.19 46.18 1d4b s LEU 13 CO 0.03 -0.27 1.03 -1.14 -1.32 0.00 0.00 176.35 174.68 1d4b n ARG 14 N 4.89 2.12 -1.63 1.98 3.00 -1.26 -5.05 116.66 120.72 1d4b n ARG 14 Ca -0.10 -3.76 -0.36 0.00 -0.00 0.00 0.00 57.85 53.63 1d4b n ARG 14 Cb 0.46 -1.68 -0.03 0.00 0.00 0.00 0.00 32.46 31.21 1d4b n ARG 14 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1d4b s SER 15 N -3.36 4.54 -0.09 6.15 0.15 -1.26 -4.93 113.70 114.90 1d4b s SER 15 Ca 0.36 0.95 0.00 0.00 0.70 0.00 0.00 55.95 57.95 1d4b s SER 15 Cb 0.42 -2.51 -0.03 0.00 -1.71 0.00 0.00 66.02 62.20 1d4b s SER 15 CO -0.05 -2.84 -0.08 -0.69 1.20 0.00 0.00 173.24 170.79 1d4b s VAL 16 N 11.84 3.62 -0.12 4.45 1.01 -1.26 -5.11 120.40 134.83 1d4b s VAL 16 Ca 0.93 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 62.40 1d4b s VAL 16 Cb -0.16 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 1d4b s VAL 16 CO 0.25 0.57 -0.05 -0.44 0.00 0.00 0.00 175.10 175.43 1d4b s SER 17 N -0.43 4.73 0.08 3.32 0.01 -1.26 -5.10 113.70 115.04 1d4b s SER 17 Ca 0.06 -0.09 -0.16 0.00 1.31 0.00 0.00 55.95 57.07 1d4b s SER 17 Cb -0.12 -1.58 -0.06 0.00 0.21 0.00 0.00 66.02 64.46 1d4b s SER 17 CO 0.02 0.24 0.52 0.20 0.41 0.00 0.00 173.24 174.63 1d4b s ASN 18 N -0.05 6.92 -0.33 2.44 0.01 -1.26 -5.04 114.94 117.62 1d4b s ASN 18 Ca 0.01 1.12 -0.23 0.00 -0.71 0.00 0.00 52.86 53.05 1d4b s ASN 18 Cb -0.13 -2.31 0.00 0.00 0.41 0.00 0.00 41.25 39.23 1d4b s ASN 18 CO 0.03 0.23 0.78 -0.63 -1.51 0.00 0.00 177.10 176.00 1d4b s ILE 19 N -1.22 4.77 0.28 0.60 1.01 -1.26 -5.04 121.20 120.34 1d4b s ILE 19 Ca 0.31 1.05 -0.10 0.00 0.00 0.00 0.00 60.65 61.90 1d4b s ILE 19 Cb -0.17 -4.17 -0.07 0.00 0.01 0.00 0.00 42.46 38.05 1d4b s ILE 19 CO 0.18 -0.33 0.62 -0.44 0.00 0.00 0.00 174.94 174.97 1d4b s SER 20 N 1.72 6.61 -0.28 3.58 0.01 -1.26 -5.06 113.70 119.03 1d4b s SER 20 Ca 0.32 0.99 -0.12 0.00 1.31 0.00 0.00 55.95 58.45 1d4b s SER 20 Cb -0.14 -2.26 -0.05 0.00 0.21 0.00 0.00 66.02 63.79 1d4b s SER 20 CO 0.14 -0.17 0.25 -0.94 0.41 0.00 0.00 173.24 172.94 1d4b s SER 21 N -2.58 6.10 -0.78 2.44 1.04 -1.26 -5.01 113.70 113.64 1d4b s SER 21 Ca 0.49 0.09 0.02 0.00 0.48 0.00 0.00 55.95 57.04 1d4b s SER 21 Cb -0.11 -2.15 0.22 0.00 0.10 0.00 0.00 66.02 64.08 1d4b s SER 21 CO 0.23 -0.09 0.75 1.21 0.98 0.00 0.00 173.24 176.32 1d4b n GLU 22 N 5.15 2.53 -2.93 4.02 2.13 -1.26 -5.07 120.64 125.21 1d4b n GLU 22 Ca -0.12 -4.55 -0.18 0.00 0.66 0.00 0.00 57.16 52.96 1d4b n GLU 22 Cb 0.52 -2.34 0.03 0.00 0.27 0.00 0.00 31.44 29.91 1d4b n GLU 22 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1d4b s PHE 23 N -1.87 2.58 0.07 4.31 0.40 -1.26 -5.13 117.98 117.08 1d4b s PHE 23 Ca 0.31 -0.37 -0.19 0.00 -0.60 0.00 0.00 56.93 56.08 1d4b s PHE 23 Cb 0.01 -2.45 0.04 0.00 0.51 0.00 0.00 43.02 41.13 1d4b s PHE 23 CO -0.09 -0.66 0.45 0.20 0.70 0.00 0.00 175.22 175.83 1d4b s GLY 24 N -4.42 -0.34 0.03 4.36 0.00 -1.26 -5.18 107.32 100.51 1d4b s GLY 24 Ca 0.57 0.35 -0.27 0.00 0.00 0.00 0.00 44.72 45.36 1d4b s GLY 24 CO 0.35 0.07 0.79 -1.60 0.00 0.00 0.00 173.10 172.72 1d4b s ARG 25 N -2.77 0.96 -0.30 2.90 3.52 -1.26 -5.16 118.95 116.84 1d4b s ARG 25 Ca -0.03 -0.28 -0.14 0.00 -0.13 0.00 0.00 55.73 55.14 1d4b s ARG 25 Cb -0.00 0.44 0.15 0.00 -1.56 0.00 0.00 34.95 33.99 1d4b s ARG 25 CO -0.04 -0.41 0.90 -0.98 -0.81 0.00 0.00 175.30 173.96 1d4b s ARG 26 N -3.04 0.37 0.32 5.12 1.70 -1.26 -5.17 118.95 116.99 1d4b s ARG 26 Ca 0.02 0.90 0.09 0.00 -0.47 0.00 0.00 55.73 56.28 1d4b s ARG 26 Cb -0.01 0.50 -0.05 0.00 -0.57 0.00 0.00 34.95 34.83 1d4b s ARG 26 CO -0.08 -0.12 0.01 0.14 -1.08 0.00 0.00 175.30 174.17 1d4b s VAL 27 N 2.44 2.86 -0.36 4.99 -7.23 -1.26 -5.11 120.40 116.73 1d4b s VAL 27 Ca -0.04 -1.95 0.01 0.00 -1.81 0.00 0.00 61.98 58.19 1d4b s VAL 27 Cb -0.07 -2.80 0.19 0.00 0.56 0.00 0.00 36.38 34.26 1d4b s VAL 27 CO -0.18 -0.25 0.78 0.86 -0.31 0.00 0.00 175.10 176.00 1d4b s TRP 28 N -2.46 -1.25 -1.13 2.82 -0.11 -1.26 -5.07 118.94 110.48 1d4b s TRP 28 Ca 0.34 0.33 -0.24 0.00 1.22 0.00 0.00 56.10 57.75 1d4b s TRP 28 Cb -0.02 0.23 -0.13 0.00 -1.50 0.00 0.00 33.47 32.04 1d4b s TRP 28 CO 0.20 -0.81 2.00 0.95 -4.62 0.00 0.00 176.95 174.66 1d4b s THR 29 N 2.15 3.37 -0.22 5.86 -4.23 -1.26 -4.88 115.64 116.42 1d4b s THR 29 Ca 0.16 -0.61 -0.28 0.00 -1.18 0.00 0.00 61.69 59.78 1d4b s THR 29 Cb -0.03 -4.33 -0.05 0.00 1.34 0.00 0.00 72.50 69.43 1d4b s THR 29 CO -0.14 -0.68 2.13 -0.44 -0.54 0.00 0.00 174.62 174.95 1d4b s SER 30 N 7.30 5.59 0.61 3.99 0.01 -1.26 -4.95 113.70 124.99 1d4b s SER 30 Ca 0.73 1.84 -0.15 0.00 1.31 0.00 0.00 55.95 59.68 1d4b s SER 30 Cb -0.03 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.66 1d4b s SER 30 CO 0.14 -1.87 1.06 0.00 0.41 0.00 0.00 173.24 172.98 1d4b s ALA 31 N 7.85 2.71 0.53 1.44 0.00 -1.26 -5.01 121.76 128.02 1d4b s ALA 31 Ca 0.96 0.36 -0.19 0.00 0.00 0.00 0.00 51.96 53.09 1d4b s ALA 31 Cb -0.32 -3.23 -0.06 0.00 0.00 0.00 0.00 23.12 19.51 1d4b s ALA 31 CO 0.35 -0.91 1.09 -1.25 0.00 0.00 0.00 175.76 175.04 1d4b s PRO 32 N -4.22 3.48 0.57 0.00 0.04 -1.26 -5.01 135.00 128.60 1d4b s PRO 32 Ca 0.63 1.47 -0.17 0.00 0.04 0.00 0.00 61.00 62.98 1d4b s PRO 32 Cb -0.16 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 1d4b s PRO 32 CO 0.40 -0.72 1.06 -1.25 0.04 0.00 0.00 177.00 176.53 1d4b s PRO 33 N -3.38 3.38 0.36 0.56 0.04 -1.26 -5.01 135.00 129.69 1d4b s PRO 33 Ca 0.70 1.27 -0.26 0.00 0.04 0.00 0.00 61.00 62.75 1d4b s PRO 33 Cb -0.20 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 1d4b s PRO 33 CO 0.26 -0.77 1.12 -1.25 0.04 0.00 0.00 177.00 176.40 1d4b s PRO 34 N -3.87 4.26 0.57 0.56 0.04 -1.26 -5.01 135.00 130.29 1d4b s PRO 34 Ca 0.65 1.75 -0.18 0.00 0.04 0.00 0.00 61.00 63.26 1d4b s PRO 34 Cb -0.17 -2.79 -0.04 0.00 0.04 0.00 0.00 34.50 31.53 1d4b s PRO 34 CO 0.33 -0.12 1.10 -1.14 0.04 0.00 0.00 177.00 177.21 1d4b s GLN 35 N -2.10 3.29 -0.06 4.56 0.74 -1.26 -4.91 119.66 119.91 1d4b s GLN 35 Ca 0.53 1.44 -0.06 0.00 0.05 0.00 0.00 55.36 57.32 1d4b s GLN 35 Cb -0.29 -2.01 0.02 0.00 1.10 0.00 0.00 33.01 31.83 1d4b s GLN 35 CO 0.37 -0.87 0.18 0.50 -0.55 0.00 0.00 175.29 174.91 1d4b s ARG 36 N -3.62 0.23 -0.78 1.67 6.06 -1.24 -5.00 118.95 116.27 1d4b s ARG 36 Ca 0.69 0.21 -0.25 0.00 -2.50 0.00 0.00 55.73 53.87 1d4b s ARG 36 Cb -0.20 0.11 -0.02 0.00 0.06 0.00 0.00 34.95 34.90 1d4b s ARG 36 CO 0.31 -0.03 1.80 -1.25 -2.50 0.00 0.00 175.30 173.63 1d4b s PRO 37 N -0.01 2.75 -0.11 5.12 0.04 -1.26 -2.33 135.00 139.19 1d4b s PRO 37 Ca -0.01 0.01 -0.19 0.00 0.04 0.00 0.00 61.00 60.85 1d4b s PRO 37 Cb -0.02 -4.72 -0.04 0.00 0.04 0.00 0.00 34.50 29.76 1d4b s PRO 37 CO 0.00 -2.87 0.50 -0.06 0.04 0.00 0.00 177.00 174.61 1d4b s PHE 38 N 8.74 3.52 -0.25 0.56 0.08 -1.00 -4.89 117.98 124.74 1d4b s PHE 38 Ca 0.63 0.93 -0.12 0.00 0.12 0.00 0.00 56.93 58.50 1d4b s PHE 38 Cb -0.09 -2.58 -0.05 0.00 -0.57 0.00 0.00 43.02 39.74 1d4b s PHE 38 CO 0.09 0.17 0.22 0.50 -0.10 0.00 0.00 175.22 176.10 1d4b s ARG 39 N 0.61 4.03 0.03 0.44 3.52 -1.26 -2.14 118.95 124.18 1d4b s ARG 39 Ca 0.27 -0.20 0.07 0.00 -0.13 0.00 0.00 55.73 55.75 1d4b s ARG 39 Cb -0.15 -3.60 -0.03 0.00 -1.56 0.00 0.00 34.95 29.61 1d4b s ARG 39 CO 0.11 -0.08 -0.20 0.08 -0.81 0.00 0.00 175.30 174.41 1d4b s VAL 40 N 1.46 2.65 0.06 7.11 1.01 -0.35 -4.24 120.40 128.10 1d4b s VAL 40 Ca 0.09 -1.16 -0.01 0.00 0.00 0.00 0.00 61.98 60.90 1d4b s VAL 40 Cb -0.15 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1d4b s VAL 40 CO 0.08 0.39 -0.02 0.00 0.00 0.00 0.00 175.10 175.56 1d4b s ASP 42 N -2.93 4.66 0.00 0.00 -1.08 -0.73 -4.43 116.67 112.17 1d4b s ASP 42 Ca 0.08 -0.47 0.00 0.00 -0.52 0.00 0.00 52.55 51.64 1d4b s ASP 42 Cb 0.08 -0.02 0.00 0.00 -1.46 0.00 0.00 42.92 41.52 1d4b s ASP 42 CO -0.09 -1.63 0.12 1.57 0.52 0.00 0.00 175.17 175.66 1d4b n HIS 43 N -2.61 0.00 -0.00 -5.34 -0.00 -1.26 -4.46 115.22 101.55 1d4b n HIS 43 Ca 0.14 0.00 -0.00 0.00 -0.00 0.00 0.00 57.72 57.86 1d4b n HIS 43 Cb 0.61 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.60 1d4b n HIS 43 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 1d4b n LYS 44 N -0.28 0.01 -0.27 1.57 3.00 -1.26 -4.94 118.16 115.98 1d4b n LYS 44 Ca 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 58.31 58.50 1d4b n LYS 44 Cb 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 35.03 34.33 1d4b n LYS 44 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1d4b n ARG 45 N -2.34 0.00 0.22 1.64 0.63 -1.26 -4.98 116.66 110.57 1d4b n ARG 45 Ca -0.00 -0.24 -0.18 0.00 -0.92 0.00 0.00 57.85 56.51 1d4b n ARG 45 Cb 0.00 -0.15 -0.10 0.00 0.45 0.00 0.00 32.46 32.66 1d4b n ARG 45 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 1d4b h THR 46 N 4.43 0.01 -3.18 5.15 1.35 -1.92 -3.41 112.91 115.34 1d4b h THR 46 Ca 0.00 0.00 -0.44 0.00 -0.55 0.00 0.00 66.41 65.42 1d4b h THR 46 Cb 1.07 0.01 -0.40 0.00 -1.73 0.00 0.00 68.15 67.10 1d4b h THR 46 CO 0.00 0.00 -0.75 -0.63 -0.25 0.00 0.00 175.52 173.89 1d4b s ILE 47 N -5.84 0.06 -0.22 6.82 1.01 -1.26 -5.04 121.20 116.73 1d4b s ILE 47 Ca -0.17 -0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.47 1d4b s ILE 47 Cb 0.05 -0.52 0.04 0.00 0.01 0.00 0.00 42.46 42.04 1d4b s ILE 47 CO 0.61 -0.08 -0.15 -0.60 0.00 0.00 0.00 174.94 174.72 1d4b s ARG 48 N 2.08 2.64 0.00 2.79 3.52 -1.26 -1.77 118.95 126.95 1d4b s ARG 48 Ca 0.03 -1.07 -0.00 0.00 -0.13 0.00 0.00 55.73 54.55 1d4b s ARG 48 Cb -0.15 -2.73 -0.00 0.00 -1.56 0.00 0.00 34.95 30.51 1d4b s ARG 48 CO -0.07 -0.38 0.00 0.21 -0.81 0.00 0.00 175.30 174.25 1d4b s LYS 49 N 1.20 0.06 -0.27 5.12 2.47 -0.57 -5.00 119.74 122.74 1d4b s LYS 49 Ca -0.02 -0.08 -0.00 0.00 -1.56 0.00 0.00 55.97 54.31 1d4b s LYS 49 Cb -0.16 0.02 0.08 0.00 -1.46 0.00 0.00 37.83 36.31 1d4b s LYS 49 CO -0.09 -0.01 0.05 0.20 0.16 0.00 0.00 175.35 175.66 1d4b s GLY 50 N -0.22 1.13 0.25 5.54 0.00 -1.26 -1.21 107.32 111.55 1d4b s GLY 50 Ca -0.02 -1.49 0.10 0.00 0.00 0.00 0.00 44.72 43.31 1d4b s GLY 50 CO -0.00 1.36 -0.18 1.08 0.00 0.00 0.00 173.10 175.36 1d4b s LEU 51 N 1.55 2.57 -0.04 0.66 1.43 -0.91 -4.87 118.68 119.07 1d4b s LEU 51 Ca 0.04 -1.02 -0.30 0.00 -1.03 0.00 0.00 54.13 51.83 1d4b s LEU 51 Cb -0.18 -0.95 -0.02 0.00 0.03 0.00 0.00 46.19 45.07 1d4b s LEU 51 CO -0.16 -0.03 0.99 0.42 0.23 0.00 0.00 176.35 177.80 1d4b s THR 52 N -2.64 4.83 0.03 5.49 -4.23 -1.26 -2.37 115.64 115.50 1d4b s THR 52 Ca 0.27 2.05 -0.01 0.00 -1.18 0.00 0.00 61.69 62.82 1d4b s THR 52 Cb -0.04 -4.32 -0.03 0.00 1.34 0.00 0.00 72.50 69.46 1d4b s THR 52 CO 0.12 0.10 -0.02 0.00 -0.54 0.00 0.00 174.62 174.28 1d4b s ALA 53 N 1.38 0.25 -0.30 3.99 0.00 -0.98 -4.90 121.76 121.19 1d4b s ALA 53 Ca 0.51 -0.81 -0.02 0.00 0.00 0.00 0.00 51.96 51.63 1d4b s ALA 53 Cb -0.20 0.20 0.10 0.00 0.00 0.00 0.00 23.12 23.22 1d4b s ALA 53 CO 0.24 -0.25 0.12 0.00 0.00 0.00 0.00 175.76 175.87 1d4b s ALA 54 N -2.44 1.05 -0.06 0.00 0.00 -1.26 -3.73 121.76 115.31 1d4b s ALA 54 Ca -0.07 -1.38 -0.19 0.00 0.00 0.00 0.00 51.96 50.32 1d4b s ALA 54 Cb -0.03 -1.50 0.04 0.00 0.00 0.00 0.00 23.12 21.63 1d4b s ALA 54 CO -0.05 -1.67 0.43 0.99 0.00 0.00 0.00 175.76 175.46 1d4b s THR 55 N 1.84 0.03 0.00 0.00 2.01 -1.26 -5.02 115.64 113.24 1d4b s THR 55 Ca 0.10 -0.26 0.00 0.00 0.31 0.00 0.00 61.69 61.84 1d4b s THR 55 Cb -0.17 -0.70 0.00 0.00 0.01 0.00 0.00 72.50 71.64 1d4b s THR 55 CO -0.31 -0.14 0.00 -1.14 -0.69 0.00 0.00 174.62 172.34 1d4b n ARG 56 N 1.56 0.00 -0.06 4.92 0.63 -1.26 -4.50 116.66 117.95 1d4b n ARG 56 Ca -0.19 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.52 1d4b n ARG 56 Cb 0.56 -0.23 -0.12 0.00 0.45 0.00 0.00 32.46 33.12 1d4b n ARG 56 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1d4b n GLN 57 N -1.02 0.65 0.32 -0.14 7.27 -1.26 -4.02 117.38 119.18 1d4b n GLN 57 Ca 0.00 0.44 0.18 0.00 0.07 0.00 0.00 57.00 57.69 1d4b n GLN 57 Cb 0.00 -1.72 0.96 0.00 2.41 0.00 0.00 30.24 31.89 1d4b n GLN 57 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1d4b h GLU 58 N -0.55 0.00 -0.97 3.69 4.81 -2.01 -2.09 114.58 117.47 1d4b h GLU 58 Ca -0.39 0.00 0.24 0.00 -0.13 0.00 0.00 59.36 59.08 1d4b h GLU 58 Cb 1.62 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.93 1d4b h GLU 58 CO -0.09 0.00 0.65 1.25 -0.73 0.00 0.00 179.01 180.09 1d4b h LEU 59 N 0.00 0.34 -0.80 1.64 6.46 -1.79 0.21 115.31 121.37 1d4b h LEU 59 Ca 0.00 0.05 -0.08 0.00 -0.12 0.00 0.00 57.88 57.73 1d4b h LEU 59 Cb 0.32 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.22 1d4b h LEU 59 CO 0.00 0.10 0.04 0.25 -0.62 0.00 0.00 178.44 178.22 1d4b h LEU 60 N 0.32 0.91 -1.95 2.25 5.85 -1.64 -2.26 115.31 118.79 1d4b h LEU 60 Ca 0.51 -0.22 0.11 0.00 0.84 0.00 0.00 57.88 59.12 1d4b h LEU 60 Cb 1.44 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 1d4b h LEU 60 CO -0.18 0.94 0.46 0.00 -0.34 0.00 0.00 178.44 179.32 1d4b h ALA 61 N 1.16 2.07 -0.09 1.25 0.00 -0.76 -0.23 119.26 122.65 1d4b h ALA 61 Ca 0.17 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1d4b h ALA 61 Cb 0.46 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1d4b h ALA 61 CO 0.02 -0.66 -0.37 -0.22 0.00 0.00 0.00 179.25 178.02 1d4b h LYS 62 N 0.00 0.42 -0.88 0.00 3.11 -1.44 -3.05 116.57 114.73 1d4b h LYS 62 Ca 0.18 -0.33 0.24 0.00 -2.81 0.00 0.00 60.65 57.94 1d4b h LYS 62 Cb 1.10 0.06 -0.04 0.00 -1.00 0.00 0.00 32.23 32.34 1d4b h LYS 62 CO -0.00 0.96 0.62 0.00 -2.81 0.00 0.00 179.45 178.21 1d4b h ALA 63 N 0.47 2.66 -1.41 5.00 0.00 -1.11 0.13 119.26 125.00 1d4b h ALA 63 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1d4b h ALA 63 Cb 1.01 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1d4b h ALA 63 CO 0.08 -0.92 0.00 1.28 0.00 0.00 0.00 179.25 179.69 1d4b n LEU 64 N -4.34 1.21 0.08 0.00 7.99 -1.18 -4.17 117.00 116.59 1d4b n LEU 64 Ca 0.18 0.34 0.19 0.00 -0.01 0.00 0.00 56.01 56.71 1d4b n LEU 64 Cb 0.88 -0.27 0.73 0.00 -0.11 0.00 0.00 43.42 44.65 1d4b n LEU 64 CO 0.36 -0.27 1.17 -0.08 -1.51 0.00 0.00 177.39 177.07 1d4b h GLU 65 N 0.00 0.00 -0.49 3.23 4.22 -1.49 -1.20 114.58 118.84 1d4b h GLU 65 Ca 0.00 0.00 0.10 0.00 0.08 0.00 0.00 59.36 59.54 1d4b h GLU 65 Cb 0.00 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.17 1d4b h GLU 65 CO 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 179.01 176.82 1d4b h THR 66 N 0.00 0.60 0.00 0.32 1.03 -0.90 -3.33 112.91 110.63 1d4b h THR 66 Ca 0.18 -0.04 -0.34 0.00 -0.01 0.00 0.00 66.41 66.21 1d4b h THR 66 Cb 0.83 0.49 -0.05 0.00 -1.07 0.00 0.00 68.15 68.35 1d4b h THR 66 CO -0.00 0.02 -2.11 0.18 -0.01 0.00 0.00 175.52 173.60 1d4b n LEU 67 N -5.24 1.83 -3.77 0.00 4.77 -1.03 -5.03 117.00 108.53 1d4b n LEU 67 Ca 0.05 0.31 -0.13 0.00 -0.03 0.00 0.00 56.01 56.22 1d4b n LEU 67 Cb 0.27 -0.75 -0.12 0.00 -2.33 0.00 0.00 43.42 40.49 1d4b n LEU 67 CO 0.15 0.35 -0.09 -0.76 -1.33 0.00 0.00 177.39 175.71 1d4b s LEU 68 N -7.50 0.86 -0.26 2.23 1.43 -0.48 -5.12 118.68 109.83 1d4b s LEU 68 Ca -0.34 0.52 -0.25 0.00 -1.03 0.00 0.00 54.13 53.03 1d4b s LEU 68 Cb 0.12 0.83 -0.00 0.00 0.03 0.00 0.00 46.19 47.17 1d4b s LEU 68 CO 0.44 -0.11 0.85 -1.48 0.23 0.00 0.00 176.35 176.28 1d4b s LEU 69 N 0.46 4.07 0.02 1.79 0.05 -1.26 -3.55 118.68 120.26 1d4b s LEU 69 Ca -0.03 0.98 -0.01 0.00 0.05 0.00 0.00 54.13 55.13 1d4b s LEU 69 Cb -0.04 -3.21 -0.02 0.00 -2.05 0.00 0.00 46.19 40.87 1d4b s LEU 69 CO -0.02 -0.57 -0.02 0.21 -0.55 0.00 0.00 176.35 175.40 1d4b s ASN 70 N 1.40 0.26 0.10 1.48 2.47 -1.26 -5.01 114.94 114.39 1d4b s ASN 70 Ca 0.35 -0.56 -0.18 0.00 0.42 0.00 0.00 52.86 52.90 1d4b s ASN 70 Cb -0.15 0.12 -0.06 0.00 -1.45 0.00 0.00 41.25 39.71 1d4b s ASN 70 CO 0.09 -0.35 1.60 1.23 -3.72 0.00 0.00 177.10 175.95 1d4b h GLY 71 N 4.42 0.47 -5.95 1.21 0.00 -2.03 -3.43 103.07 97.76 1d4b h GLY 71 Ca -0.32 -0.29 -0.35 0.00 0.00 0.00 0.00 47.33 46.37 1d4b h GLY 71 CO 0.44 0.27 -0.75 0.14 0.00 0.00 0.00 176.54 176.64 1d4b s VAL 72 N -5.34 0.34 0.00 4.60 1.01 -1.26 -5.15 120.40 114.61 1d4b s VAL 72 Ca -0.13 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1d4b s VAL 72 Cb 0.08 -0.36 -0.00 0.00 0.00 0.00 0.00 36.38 36.10 1d4b s VAL 72 CO 0.74 0.15 -0.01 -0.22 0.00 0.00 0.00 175.10 175.76 1d4b s LEU 73 N 0.54 2.01 -0.12 3.92 1.98 -1.26 -5.05 118.68 120.70 1d4b s LEU 73 Ca -0.06 -0.04 -0.26 0.00 -2.89 0.00 0.00 54.13 50.88 1d4b s LEU 73 Cb -0.09 -0.02 -0.02 0.00 0.66 0.00 0.00 46.19 46.71 1d4b s LEU 73 CO -0.01 -0.01 0.85 0.42 -1.89 0.00 0.00 176.35 175.72 1d4b s THR 74 N -0.09 4.90 -0.14 3.68 -4.23 -1.23 -5.00 115.64 113.52 1d4b s THR 74 Ca -0.01 1.71 -0.07 0.00 -1.18 0.00 0.00 61.69 62.15 1d4b s THR 74 Cb -0.01 -4.17 -0.04 0.00 1.34 0.00 0.00 72.50 69.62 1d4b s THR 74 CO -0.00 0.08 0.09 -0.76 -0.54 0.00 0.00 174.62 173.49 1d4b s LEU 75 N 1.72 4.06 0.22 4.79 1.02 -0.96 -3.79 118.68 125.74 1d4b s LEU 75 Ca 0.41 0.27 -0.05 0.00 0.02 0.00 0.00 54.13 54.78 1d4b s LEU 75 Cb -0.18 -2.00 -0.03 0.00 0.02 0.00 0.00 46.19 44.01 1d4b s LEU 75 CO 0.16 0.30 0.26 0.68 0.02 0.00 0.00 176.35 177.78 1d4b s VAL 76 N -0.40 0.00 0.08 -1.59 -7.23 -1.24 0.60 120.40 110.61 1d4b s VAL 76 Ca 0.10 -1.79 0.06 0.00 -1.81 0.00 0.00 61.98 58.55 1d4b s VAL 76 Cb -0.12 -2.40 -0.03 0.00 0.56 0.00 0.00 36.38 34.39 1d4b s VAL 76 CO 0.02 0.00 -0.16 -1.48 -0.31 0.00 0.00 175.10 173.17 1d4b s LEU 77 N -3.12 2.29 0.00 1.32 0.05 -0.94 -3.78 118.68 114.50 1d4b s LEU 77 Ca 0.33 -0.64 0.22 0.00 0.05 0.00 0.00 54.13 54.09 1d4b s LEU 77 Cb 0.04 -0.60 -0.21 0.00 -2.05 0.00 0.00 46.19 43.37 1d4b s LEU 77 CO 0.11 -0.05 0.76 1.21 -0.55 0.00 0.00 176.35 177.83 1d4b n GLU 78 N 1.19 0.35 0.00 1.48 2.13 -1.26 -3.24 120.64 121.29 1d4b n GLU 78 Ca -0.20 -0.08 0.00 0.00 0.66 0.00 0.00 57.16 57.53 1d4b n GLU 78 Cb 0.54 -1.54 0.00 0.00 0.27 0.00 0.00 31.44 30.71 1d4b n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1d4b n GLU 79 N -1.94 0.00 0.05 5.31 2.13 -1.26 -3.68 120.64 121.25 1d4b n GLU 79 Ca 0.00 0.41 0.12 0.00 0.66 0.00 0.00 57.16 58.35 1d4b n GLU 79 Cb 0.46 -1.30 0.15 0.00 0.27 0.00 0.00 31.44 31.01 1d4b n GLU 79 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1d4b n ASP 80 N -1.59 0.66 -1.64 4.31 -0.08 -1.26 -4.99 116.55 111.96 1d4b n ASP 80 Ca 0.00 0.03 -0.00 0.00 -1.51 0.00 0.00 54.79 53.31 1d4b n ASP 80 Cb 0.00 0.29 0.00 0.00 2.34 0.00 0.00 41.12 43.75 1d4b n ASP 80 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1d4b n GLY 81 N 1.36 -0.15 3.00 0.27 0.00 -1.22 -5.09 105.19 103.36 1d4b n GLY 81 Ca 0.03 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 1d4b n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1d4b s THR 82 N -3.01 0.12 0.23 2.61 2.01 -1.20 -5.01 115.64 111.39 1d4b s THR 82 Ca 0.01 -1.01 -0.06 0.00 0.31 0.00 0.00 61.69 60.94 1d4b s THR 82 Cb -0.00 -0.43 -0.06 0.00 0.01 0.00 0.00 72.50 72.03 1d4b s THR 82 CO 0.07 -0.56 0.49 0.00 -0.69 0.00 0.00 174.62 173.93 1d4b s ALA 83 N -1.77 3.67 0.02 7.40 0.00 -1.26 -2.23 121.76 127.59 1d4b s ALA 83 Ca -0.13 -0.50 -0.07 0.00 0.00 0.00 0.00 51.96 51.25 1d4b s ALA 83 Cb -0.08 -2.27 -0.00 0.00 0.00 0.00 0.00 23.12 20.78 1d4b s ALA 83 CO -0.02 0.45 0.14 0.08 0.00 0.00 0.00 175.76 176.41 1d4b s VAL 84 N -1.88 0.10 0.00 0.00 1.01 0.20 -4.96 120.40 114.87 1d4b s VAL 84 Ca 0.44 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.61 1d4b s VAL 84 Cb -0.11 -0.63 0.02 0.00 0.00 0.00 0.00 36.38 35.66 1d4b s VAL 84 CO 0.26 -0.45 0.89 -0.90 0.00 0.00 0.00 175.10 174.90 1d4b n ASP 85 N 1.15 0.04 -3.58 3.32 5.68 -1.26 -2.26 116.55 119.63 1d4b n ASP 85 Ca -0.21 -1.76 -0.14 0.00 -0.50 0.00 0.00 54.79 52.18 1d4b n ASP 85 Cb 0.57 -0.15 -0.06 0.00 -1.14 0.00 0.00 41.12 40.34 1d4b n ASP 85 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1d4b s SER 86 N -0.81 0.76 0.37 -1.12 0.15 -1.26 -5.01 113.70 106.79 1d4b s SER 86 Ca 0.02 -1.44 0.25 0.00 0.70 0.00 0.00 55.95 55.48 1d4b s SER 86 Cb 0.02 0.57 1.34 0.00 -1.71 0.00 0.00 66.02 66.24 1d4b s SER 86 CO -0.01 -1.13 1.75 -0.08 1.20 0.00 0.00 173.24 174.97 1d4b h GLU 87 N 2.24 0.00 0.00 5.44 4.81 -1.98 -1.94 114.58 123.16 1d4b h GLU 87 Ca -0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1d4b h GLU 87 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1d4b h GLU 87 CO 0.41 0.00 0.00 -3.47 -0.73 0.00 0.00 179.01 175.22 1d4b n ASP 88 N -2.37 0.00 -0.29 1.04 2.03 -1.26 -3.54 116.55 112.16 1d4b n ASP 88 Ca -0.02 0.48 -0.10 0.00 0.52 0.00 0.00 54.79 55.68 1d4b n ASP 88 Cb 0.05 -0.49 -0.07 0.00 -0.72 0.00 0.00 41.12 39.90 1d4b n ASP 88 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1d4b h PHE 89 N 0.00 -1.62 0.00 -0.67 3.57 -1.76 0.78 116.94 117.24 1d4b h PHE 89 Ca 0.00 0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1d4b h PHE 89 Cb 0.06 0.81 0.00 0.00 2.79 0.00 0.00 35.95 39.61 1d4b h PHE 89 CO 0.00 -0.42 0.00 1.19 -2.23 0.00 0.00 178.31 176.85 1d4b n PHE 90 N -5.34 0.75 0.07 0.41 3.72 -1.23 -2.85 117.46 112.99 1d4b n PHE 90 Ca 0.01 0.27 0.04 0.00 -0.05 0.00 0.00 57.45 57.72 1d4b n PHE 90 Cb 0.32 -0.93 -0.04 0.00 -0.94 0.00 0.00 39.48 37.89 1d4b n PHE 90 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1d4b h GLN 91 N 0.00 0.00 0.00 -1.08 4.15 0.08 -3.32 115.11 114.94 1d4b h GLN 91 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1d4b h GLN 91 Cb 0.48 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.17 1d4b h GLN 91 CO 0.00 0.20 -0.01 1.25 -1.93 0.00 0.00 178.83 178.34 1d4b h LEU 92 N 0.00 0.00 -9.41 -2.39 6.46 0.24 -3.44 115.31 106.77 1d4b h LEU 92 Ca -0.09 0.00 -0.60 0.00 -0.12 0.00 0.00 57.88 57.07 1d4b h LEU 92 Cb 1.35 0.00 -0.14 0.00 -0.73 0.00 0.00 40.66 41.15 1d4b h LEU 92 CO 0.03 0.01 -0.67 -0.76 -0.62 0.00 0.00 178.44 176.43 1d4b s LEU 93 N -6.22 2.70 1.28 2.25 1.02 -1.25 -5.13 118.68 113.33 1d4b s LEU 93 Ca 0.01 -1.22 -0.19 0.00 0.02 0.00 0.00 54.13 52.75 1d4b s LEU 93 Cb 0.09 -0.92 0.32 0.00 0.02 0.00 0.00 46.19 45.70 1d4b s LEU 93 CO 0.55 -0.26 1.01 -1.61 0.02 0.00 0.00 176.35 176.05 1d4b s GLU 94 N -3.65 -1.80 -0.04 1.70 2.02 -1.26 -4.80 118.70 110.87 1d4b s GLU 94 Ca 0.32 0.29 -0.33 0.00 0.02 0.00 0.00 54.97 55.27 1d4b s GLU 94 Cb 0.04 -1.50 -0.11 0.00 0.10 0.00 0.00 34.13 32.66 1d4b s GLU 94 CO 0.16 -4.17 1.87 -3.47 0.02 0.00 0.00 175.26 169.67 1d4b n ASP 95 N -5.15 3.58 -3.51 -0.19 2.03 -1.26 -4.90 116.55 107.14 1d4b n ASP 95 Ca 0.09 0.97 -0.03 0.00 0.52 0.00 0.00 54.79 56.35 1d4b n ASP 95 Cb 0.58 -1.41 0.01 0.00 -0.72 0.00 0.00 41.12 39.58 1d4b n ASP 95 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 1d4b s ASP 96 N 3.86 -0.06 -0.29 1.67 1.47 -1.26 -5.13 116.67 116.93 1d4b s ASP 96 Ca 0.91 -0.54 0.00 0.00 1.18 0.00 0.00 52.55 54.10 1d4b s ASP 96 Cb -0.64 0.46 0.09 0.00 -0.34 0.00 0.00 42.92 42.49 1d4b s ASP 96 CO 0.48 -0.89 0.06 -0.89 0.68 0.00 0.00 175.17 174.61 1d4b s THR 97 N -2.53 1.17 -0.03 2.11 2.01 -1.26 -5.05 115.64 112.06 1d4b s THR 97 Ca 0.18 -1.43 -0.01 0.00 0.31 0.00 0.00 61.69 60.74 1d4b s THR 97 Cb -0.02 -1.78 0.02 0.00 0.01 0.00 0.00 72.50 70.73 1d4b s THR 97 CO 0.04 -0.52 0.07 0.00 -0.69 0.00 0.00 174.62 173.51 1d4b s LEU 99 N 0.68 0.06 -0.06 0.00 2.96 -1.26 -5.00 118.68 116.06 1d4b s LEU 99 Ca -0.05 0.18 0.05 0.00 -0.22 0.00 0.00 54.13 54.09 1d4b s LEU 99 Cb -0.08 0.03 -0.00 0.00 0.50 0.00 0.00 46.19 46.64 1d4b s LEU 99 CO -0.03 -0.25 -0.21 -0.32 -1.32 0.00 0.00 176.35 174.23 1d4b s MET 100 N 2.21 2.27 -0.16 1.98 1.75 -1.25 -4.14 119.30 121.96 1d4b s MET 100 Ca 0.04 -0.75 -0.02 0.00 -1.25 0.00 0.00 55.69 53.71 1d4b s MET 100 Cb -0.12 -1.89 0.05 0.00 2.84 0.00 0.00 34.83 35.71 1d4b s MET 100 CO -0.04 0.27 0.02 0.08 -0.65 0.00 0.00 175.02 174.69 1d4b s VAL 101 N 0.06 0.56 0.30 10.11 1.01 -1.26 -3.72 120.40 127.46 1d4b s VAL 101 Ca -0.07 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 1d4b s VAL 101 Cb -0.14 -0.93 -0.01 0.00 0.00 0.00 0.00 36.38 35.30 1d4b s VAL 101 CO 0.04 -0.04 0.40 -1.48 0.00 0.00 0.00 175.10 174.02 1d4b s LEU 102 N 1.86 0.97 0.86 3.92 2.34 -1.25 -4.88 118.68 122.50 1d4b s LEU 102 Ca 0.01 -1.38 -0.13 0.00 0.06 0.00 0.00 54.13 52.68 1d4b s LEU 102 Cb -0.16 1.26 0.12 0.00 -0.56 0.00 0.00 46.19 46.85 1d4b s LEU 102 CO -0.07 -1.17 1.21 -1.58 -1.06 0.00 0.00 176.35 173.68 1d4b s GLN 103 N -3.47 1.52 0.58 1.48 0.74 -1.26 -3.57 119.66 115.68 1d4b s GLN 103 Ca 0.31 -0.02 -0.18 0.00 0.05 0.00 0.00 55.36 55.53 1d4b s GLN 103 Cb 0.01 -1.91 -0.08 0.00 1.10 0.00 0.00 33.01 32.13 1d4b s GLN 103 CO 0.17 -1.88 0.62 -1.13 -0.55 0.00 0.00 175.29 172.53 1d4b n SER 104 N -3.48 -0.65 -0.74 6.67 3.41 -1.26 -4.44 113.62 113.12 1d4b n SER 104 Ca 0.10 0.75 0.00 0.00 -0.26 0.00 0.00 58.87 59.46 1d4b n SER 104 Cb 0.60 -1.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 1d4b n SER 104 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1d4b n GLY 105 N 1.68 0.14 3.86 5.00 0.00 -1.26 -5.07 105.19 109.54 1d4b n GLY 105 Ca 0.12 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 1d4b n GLY 105 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1d4b s GLN 106 N -1.72 3.73 -0.16 1.61 0.74 -1.26 -5.07 119.66 117.53 1d4b s GLN 106 Ca 0.00 0.75 -0.05 0.00 0.05 0.00 0.00 55.36 56.12 1d4b s GLN 106 Cb 0.00 -2.15 0.06 0.00 1.10 0.00 0.00 33.01 32.02 1d4b s GLN 106 CO 0.00 -0.39 0.10 -1.54 -0.55 0.00 0.00 175.29 172.91 1d4b s SER 107 N -3.69 2.13 0.45 6.67 1.04 -1.26 -5.14 113.70 113.89 1d4b s SER 107 Ca 0.55 -0.50 0.01 0.00 0.48 0.00 0.00 55.95 56.49 1d4b s SER 107 Cb -0.10 -0.17 -0.00 0.00 0.10 0.00 0.00 66.02 65.84 1d4b s SER 107 CO 0.43 -0.34 0.66 0.26 0.98 0.00 0.00 173.24 175.23 1d4b s TRP 108 N 2.16 3.17 -0.36 5.02 0.51 -1.26 -5.03 118.94 123.16 1d4b s TRP 108 Ca 0.03 0.15 -0.29 0.00 -2.12 0.00 0.00 56.10 53.87 1d4b s TRP 108 Cb -0.16 -2.32 0.02 0.00 -0.81 0.00 0.00 33.47 30.20 1d4b s TRP 108 CO -0.09 -0.37 1.09 -1.54 -0.51 0.00 0.00 176.95 175.54 1d4b s SER 109 N -4.23 6.86 0.49 2.95 1.04 -1.26 -5.01 113.70 114.54 1d4b s SER 109 Ca 0.49 0.92 -0.21 0.00 0.48 0.00 0.00 55.95 57.62 1d4b s SER 109 Cb -0.10 -2.54 -0.07 0.00 0.10 0.00 0.00 66.02 63.40 1d4b s SER 109 CO 0.37 -0.97 1.10 -2.16 0.98 0.00 0.00 173.24 172.56 1d4b s PRO 110 N 3.85 3.68 -0.39 4.02 0.04 -1.26 -5.02 135.00 139.93 1d4b s PRO 110 Ca 0.46 1.57 -0.03 0.00 0.04 0.00 0.00 61.00 63.05 1d4b s PRO 110 Cb -0.11 -2.20 0.10 0.00 0.04 0.00 0.00 34.50 32.33 1d4b s PRO 110 CO 0.19 -0.57 0.16 0.99 0.04 0.00 0.00 177.00 177.82 1d4b s THR 111 N -1.76 3.23 -0.02 1.26 2.01 -1.26 -5.08 115.64 114.02 1d4b s THR 111 Ca 0.67 -1.93 0.06 0.00 0.31 0.00 0.00 61.69 60.81 1d4b s THR 111 Cb -0.23 -3.15 -0.02 0.00 0.01 0.00 0.00 72.50 69.11 1d4b s THR 111 CO 0.27 -0.58 -0.21 0.00 -0.69 0.00 0.00 174.62 173.42 1d4b s ARG 112 N 1.16 2.22 -0.14 4.92 1.70 -1.26 -5.00 118.95 122.56 1d4b s ARG 112 Ca 0.06 -0.87 0.05 0.00 -0.47 0.00 0.00 55.73 54.50 1d4b s ARG 112 Cb -0.22 -2.18 0.17 0.00 -0.57 0.00 0.00 34.95 32.14 1d4b s ARG 112 CO -0.04 0.58 0.92 -1.13 -1.08 0.00 0.00 175.30 174.55 1d4b n SER 113 N 2.20 -0.64 0.00 -2.89 3.41 -1.26 -5.04 113.62 109.40 1d4b n SER 113 Ca -0.17 -1.48 0.00 0.00 -0.26 0.00 0.00 58.87 56.96 1d4b n SER 113 Cb 0.52 0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 1d4b n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1d4b n GLY 114 N -0.63 -1.77 3.61 5.00 0.00 -1.26 -5.09 105.19 105.05 1d4b n GLY 114 Ca -0.08 0.61 -0.43 0.00 0.00 0.00 0.00 46.02 46.12 1d4b n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d4b s VAL 115 N 0.00 4.28 -0.22 1.61 1.01 -1.26 -4.87 120.40 120.96 1d4b s VAL 115 Ca 0.00 1.36 0.11 0.00 0.00 0.00 0.00 61.98 63.45 1d4b s VAL 115 Cb 0.00 -4.55 0.43 0.00 0.00 0.00 0.00 36.38 32.26 1d4b s VAL 115 CO 0.00 -0.86 1.26 -0.11 0.00 0.00 0.00 175.10 175.39 1d4b n LEU 116 N 7.59 2.92 -3.91 3.92 7.94 -1.26 -4.97 117.00 129.23 1d4b n LEU 116 Ca 0.12 -3.86 -0.27 0.00 -1.11 0.00 0.00 56.01 50.89 1d4b n LEU 116 Cb 0.48 -0.54 -0.17 0.00 0.53 0.00 0.00 43.42 43.72 1d4b n LEU 116 CO 0.68 1.36 -0.44 -2.28 -1.11 0.00 0.00 177.39 175.61 1d4b s HIS 117 N -3.23 1.54 0.00 1.96 2.46 -1.26 -5.13 115.29 111.63 1d4b s HIS 117 Ca 0.39 -0.81 0.00 0.00 0.47 0.00 0.00 55.06 55.11 1d4b s HIS 117 Cb 0.37 -1.26 0.00 0.00 -0.13 0.00 0.00 32.58 31.56 1d4b s HIS 117 CO -0.06 -0.54 0.00 0.72 -2.47 0.00 0.00 174.74 172.40 1d4b n HIS 118 N 4.93 -0.73 0.07 3.88 8.25 -1.26 -5.05 115.22 125.31 1d4b n HIS 118 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 1d4b n HIS 118 Cb 0.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 1d4b n HIS 118 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1d4b n HIS 119 N -0.73 -0.93 -4.18 4.41 -0.00 -1.26 -5.10 115.22 107.43 1d4b n HIS 119 Ca 0.00 0.16 -0.24 0.00 0.46 0.00 0.00 57.72 58.10 1d4b n HIS 119 Cb 0.00 0.28 -0.06 0.00 -0.12 0.00 0.00 29.99 30.09 1d4b n HIS 119 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1d4b s HIS 120 N -2.00 2.94 0.10 1.57 3.76 -1.26 -5.02 115.29 115.37 1d4b s HIS 120 Ca 0.00 -0.13 0.00 0.00 -0.15 0.00 0.00 55.06 54.78 1d4b s HIS 120 Cb 0.00 -1.36 0.00 0.00 1.11 0.00 0.00 32.58 32.33 1d4b s HIS 120 CO 0.00 0.55 0.00 0.72 -0.85 0.00 0.00 174.74 175.16 1d4b n HIS 121 N -0.70 -1.56 -0.97 1.40 -0.00 -1.26 -5.27 115.22 106.85 1d4b n HIS 121 Ca -0.08 0.24 0.00 0.00 -0.00 0.00 0.00 57.72 57.88 1d4b n HIS 121 Cb 0.57 0.86 0.00 0.00 -0.00 0.00 0.00 29.99 31.42 1d4b n HIS 121 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92