#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d4b s GLU 2 N 0.00 3.54 0.13 2.12 8.01 -1.26 -4.94 118.70 126.30 1d4b s GLU 2 Ca 0.00 0.97 0.00 0.00 0.01 0.00 0.00 54.97 55.95 1d4b s GLU 2 Cb 0.00 -2.07 0.00 0.00 -4.31 0.00 0.00 34.13 27.75 1d4b s GLU 2 CO 0.00 -0.61 0.00 0.98 0.01 0.00 0.00 175.26 175.64 1d4b n TYR 3 N -2.21 -2.69 -2.69 1.61 9.36 -1.26 -5.08 117.16 114.19 1d4b n TYR 3 Ca 0.07 0.42 -0.43 0.00 3.32 0.00 0.00 57.90 61.29 1d4b n TYR 3 Cb 0.54 1.37 -0.02 0.00 -0.63 0.00 0.00 39.34 40.59 1d4b n TYR 3 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1d4b s LEU 4 N -5.58 4.11 -1.23 2.98 1.02 -1.26 -4.94 118.68 113.77 1d4b s LEU 4 Ca 0.00 1.35 -0.21 0.00 0.02 0.00 0.00 54.13 55.30 1d4b s LEU 4 Cb 0.00 -3.50 -0.02 0.00 0.02 0.00 0.00 46.19 42.69 1d4b s LEU 4 CO 0.00 -0.63 1.86 -1.20 0.02 0.00 0.00 176.35 176.39 1d4b n SER 5 N 6.17 3.87 -2.77 2.29 7.64 -1.26 -4.76 113.62 124.80 1d4b n SER 5 Ca 0.11 -2.79 -0.37 0.00 1.01 0.00 0.00 58.87 56.82 1d4b n SER 5 Cb 0.46 -1.73 0.04 0.00 -1.01 0.00 0.00 64.21 61.97 1d4b n SER 5 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1d4b n ALA 6 N 11.65 6.29 -3.03 -0.43 0.00 -1.26 -4.76 120.51 128.98 1d4b n ALA 6 Ca 0.47 -4.05 -0.07 0.00 0.00 0.00 0.00 53.44 49.78 1d4b n ALA 6 Cb 0.46 -1.75 -0.02 0.00 0.00 0.00 0.00 19.45 18.14 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 -3.97 -0.95 -0.37 0.00 0.20 -1.26 -5.03 118.68 107.30 1d4b s LEU 7 Ca 0.53 -1.63 0.13 0.00 0.69 0.00 0.00 54.13 53.85 1d4b s LEU 7 Cb 0.44 1.46 0.38 0.00 -0.43 0.00 0.00 46.19 48.04 1d4b s LEU 7 CO -0.33 -0.12 0.80 -3.20 -0.29 0.00 0.00 176.35 173.21 1d4b n ASN 8 N 3.48 1.29 -0.03 3.68 5.15 -1.26 -4.93 115.26 122.64 1d4b n ASN 8 Ca 0.17 -3.00 -0.13 0.00 -0.60 0.00 0.00 54.58 51.02 1d4b n ASN 8 Cb 0.54 -0.59 -0.11 0.00 -0.53 0.00 0.00 39.78 39.09 1d4b n ASN 8 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1d4b h PRO 9 N 2.99 0.03 -0.58 1.20 0.13 -2.01 -3.42 132.00 130.34 1d4b h PRO 9 Ca 0.06 -0.02 -0.31 0.00 -0.87 0.00 0.00 66.00 64.86 1d4b h PRO 9 Cb 0.99 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.90 1d4b h PRO 9 CO 0.53 0.67 -0.66 0.43 -0.23 0.00 0.00 178.00 178.73 1d4b n SER 10 N -4.75 -1.33 -0.04 1.44 7.64 -1.26 -4.97 113.62 110.35 1d4b n SER 10 Ca -0.09 -3.40 -0.07 0.00 1.01 0.00 0.00 58.87 56.33 1d4b n SER 10 Cb 0.34 1.10 -0.03 0.00 -1.01 0.00 0.00 64.21 64.60 1d4b n SER 10 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1d4b n ASP 11 N 0.25 1.74 -2.82 6.43 8.00 -1.26 -4.76 116.55 124.13 1d4b n ASP 11 Ca 0.11 0.04 -0.33 0.00 0.71 0.00 0.00 54.79 55.31 1d4b n ASP 11 Cb 0.70 -0.18 0.01 0.00 -0.02 0.00 0.00 41.12 41.64 1d4b n ASP 11 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1d4b n LEU 12 N -3.08 5.95 -3.28 0.64 4.77 -1.26 -4.82 117.00 115.92 1d4b n LEU 12 Ca -0.14 -5.17 -0.25 0.00 -0.03 0.00 0.00 56.01 50.42 1d4b n LEU 12 Cb 0.62 -0.76 -0.08 0.00 -2.33 0.00 0.00 43.42 40.87 1d4b n LEU 12 CO 0.03 2.07 -0.27 -0.11 -1.33 0.00 0.00 177.39 177.78 1d4b n LEU 13 N -0.43 0.30 -4.74 2.23 7.94 -1.26 -5.12 117.00 115.92 1d4b n LEU 13 Ca 0.44 -4.66 -0.32 0.00 -1.11 0.00 0.00 56.01 50.36 1d4b n LEU 13 Cb 0.43 0.49 0.11 0.00 0.53 0.00 0.00 43.42 44.98 1d4b n LEU 13 CO 0.41 2.00 0.71 0.00 -1.11 0.00 0.00 177.39 179.41 1d4b s ARG 14 N -0.93 1.96 0.02 1.96 1.70 -1.26 -5.05 118.95 117.36 1d4b s ARG 14 Ca 0.34 1.39 0.01 0.00 -0.47 0.00 0.00 55.73 57.00 1d4b s ARG 14 Cb 0.13 -1.85 -0.02 0.00 -0.57 0.00 0.00 34.95 32.64 1d4b s ARG 14 CO -0.13 -1.90 -0.04 0.45 -1.08 0.00 0.00 175.30 172.60 1d4b s SER 15 N -2.89 0.41 0.02 -2.89 0.15 -1.26 -5.14 113.70 102.10 1d4b s SER 15 Ca 0.65 -0.39 -0.18 0.00 0.70 0.00 0.00 55.95 56.74 1d4b s SER 15 Cb -0.21 0.05 -0.06 0.00 -1.71 0.00 0.00 66.02 64.09 1d4b s SER 15 CO 0.53 -0.18 0.52 -0.69 1.20 0.00 0.00 173.24 174.61 1d4b s VAL 16 N -1.05 4.90 -0.39 4.45 1.01 -1.26 -5.03 120.40 123.02 1d4b s VAL 16 Ca -0.10 1.08 0.07 0.00 0.00 0.00 0.00 61.98 63.03 1d4b s VAL 16 Cb -0.07 -3.84 0.18 0.00 0.00 0.00 0.00 36.38 32.65 1d4b s VAL 16 CO -0.00 0.52 0.66 -0.55 0.00 0.00 0.00 175.10 175.72 1d4b s SER 17 N -0.76 -1.46 -0.46 3.32 0.15 -1.26 -5.06 113.70 108.18 1d4b s SER 17 Ca 0.27 -0.66 0.05 0.00 0.70 0.00 0.00 55.95 56.32 1d4b s SER 17 Cb -0.18 1.86 0.28 0.00 -1.71 0.00 0.00 66.02 66.27 1d4b s SER 17 CO 0.16 -0.17 1.04 -0.46 1.20 0.00 0.00 173.24 175.01 1d4b n ASN 18 N 4.45 -2.47 -4.74 5.45 6.94 -1.26 -5.14 115.26 118.49 1d4b n ASN 18 Ca 0.10 -3.27 -0.40 0.00 -0.02 0.00 0.00 54.58 50.99 1d4b n ASN 18 Cb 0.57 1.76 -0.05 0.00 -2.36 0.00 0.00 39.78 39.69 1d4b n ASN 18 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1d4b s ILE 19 N 0.45 4.15 0.05 1.53 -1.09 -1.26 -5.06 121.20 119.97 1d4b s ILE 19 Ca 0.27 2.05 0.04 0.00 -2.23 0.00 0.00 60.65 60.77 1d4b s ILE 19 Cb 0.26 -4.30 -0.02 0.00 -1.58 0.00 0.00 42.46 36.81 1d4b s ILE 19 CO -0.16 0.44 -0.11 -0.55 -1.23 0.00 0.00 174.94 173.34 1d4b s SER 20 N -0.82 1.23 0.54 3.58 0.15 -1.26 -5.16 113.70 111.95 1d4b s SER 20 Ca 0.43 -0.52 0.07 0.00 0.70 0.00 0.00 55.95 56.63 1d4b s SER 20 Cb -0.26 -0.02 0.06 0.00 -1.71 0.00 0.00 66.02 64.09 1d4b s SER 20 CO 0.32 -0.10 0.74 -0.94 1.20 0.00 0.00 173.24 174.46 1d4b s SER 21 N -1.44 5.21 -0.01 5.45 1.04 -1.26 -5.13 113.70 117.56 1d4b s SER 21 Ca -0.05 -0.59 -0.09 0.00 0.48 0.00 0.00 55.95 55.70 1d4b s SER 21 Cb -0.09 -0.14 0.01 0.00 0.10 0.00 0.00 66.02 65.90 1d4b s SER 21 CO 0.01 -1.20 0.19 -1.83 0.98 0.00 0.00 173.24 171.40 1d4b s GLU 22 N -4.62 0.51 0.43 4.02 -1.05 -1.26 -5.16 118.70 111.56 1d4b s GLU 22 Ca 0.60 -0.27 -0.09 0.00 -0.15 0.00 0.00 54.97 55.06 1d4b s GLU 22 Cb -0.07 0.22 -0.05 0.00 -0.44 0.00 0.00 34.13 33.78 1d4b s GLU 22 CO 0.38 -0.12 0.78 -0.06 0.95 0.00 0.00 175.26 177.18 1d4b s PHE 23 N -1.21 3.50 -0.29 4.83 0.08 -1.26 -5.07 117.98 118.56 1d4b s PHE 23 Ca -0.13 0.97 0.04 0.00 0.12 0.00 0.00 56.93 57.94 1d4b s PHE 23 Cb -0.06 -2.40 0.20 0.00 -0.57 0.00 0.00 43.02 40.18 1d4b s PHE 23 CO 0.02 -0.16 0.63 0.20 -0.10 0.00 0.00 175.22 175.80 1d4b s GLY 24 N -3.46 -1.24 -0.29 4.36 0.00 -1.26 -5.12 107.32 100.31 1d4b s GLY 24 Ca 0.50 1.16 0.02 0.00 0.00 0.00 0.00 44.72 46.40 1d4b s GLY 24 CO 0.36 3.72 0.59 -1.60 0.00 0.00 0.00 173.10 176.17 1d4b s ARG 25 N 2.84 0.56 -0.59 2.90 3.52 -1.26 -5.11 118.95 121.82 1d4b s ARG 25 Ca 0.12 0.79 -0.20 0.00 -0.13 0.00 0.00 55.73 56.31 1d4b s ARG 25 Cb -0.09 0.40 0.09 0.00 -1.56 0.00 0.00 34.95 33.79 1d4b s ARG 25 CO -0.26 -0.82 0.73 1.03 -0.81 0.00 0.00 175.30 175.18 1d4b s ARG 26 N 2.84 3.07 -1.13 5.12 1.81 -1.26 -4.97 118.95 124.43 1d4b s ARG 26 Ca 0.16 -1.15 -0.22 0.00 -1.72 0.00 0.00 55.73 52.80 1d4b s ARG 26 Cb -0.13 -4.23 -0.02 0.00 -0.45 0.00 0.00 34.95 30.12 1d4b s ARG 26 CO -0.23 -1.53 1.83 0.08 -0.68 0.00 0.00 175.30 174.77 1d4b s VAL 27 N 2.91 3.71 -0.95 3.52 1.01 -1.26 -4.86 120.40 124.48 1d4b s VAL 27 Ca 0.14 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 1d4b s VAL 27 Cb -0.22 -4.67 0.24 0.00 0.00 0.00 0.00 36.38 31.73 1d4b s VAL 27 CO 0.08 -1.35 0.87 0.86 0.00 0.00 0.00 175.10 175.56 1d4b s TRP 28 N 8.45 3.99 -0.18 5.22 -0.00 -1.26 -4.99 118.94 130.18 1d4b s TRP 28 Ca 0.62 -2.88 -0.04 0.00 -0.00 0.00 0.00 56.10 53.80 1d4b s TRP 28 Cb -0.01 -3.44 0.06 0.00 -0.00 0.00 0.00 33.47 30.08 1d4b s TRP 28 CO 0.06 -0.81 0.06 0.95 -0.00 0.00 0.00 176.95 177.21 1d4b s THR 29 N -1.23 0.23 -0.33 5.86 -4.23 -1.26 -5.08 115.64 109.59 1d4b s THR 29 Ca 0.28 -0.38 -0.00 0.00 -1.18 0.00 0.00 61.69 60.41 1d4b s THR 29 Cb -0.09 -0.81 0.13 0.00 1.34 0.00 0.00 72.50 73.07 1d4b s THR 29 CO -0.11 -0.25 0.23 -0.44 -0.54 0.00 0.00 174.62 173.52 1d4b s SER 30 N 1.99 2.61 -0.06 3.99 0.01 -1.26 -5.12 113.70 115.87 1d4b s SER 30 Ca 0.01 -1.73 -0.29 0.00 1.31 0.00 0.00 55.95 55.24 1d4b s SER 30 Cb -0.17 -0.11 0.11 0.00 0.21 0.00 0.00 66.02 66.07 1d4b s SER 30 CO -0.09 -0.34 0.92 0.00 0.41 0.00 0.00 173.24 174.14 1d4b s ALA 31 N 1.50 -1.86 0.63 1.44 0.00 -1.26 -5.16 121.76 117.05 1d4b s ALA 31 Ca 0.15 1.20 -0.15 0.00 0.00 0.00 0.00 51.96 53.16 1d4b s ALA 31 Cb -0.19 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 1d4b s ALA 31 CO -0.12 -0.57 1.08 -1.25 0.00 0.00 0.00 175.76 174.91 1d4b s PRO 32 N -2.46 3.07 0.42 0.00 0.04 -1.26 -5.00 135.00 129.81 1d4b s PRO 32 Ca 0.03 1.26 -0.24 0.00 0.04 0.00 0.00 61.00 62.09 1d4b s PRO 32 Cb -0.01 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.45 1d4b s PRO 32 CO -0.05 -1.01 1.10 -1.25 0.04 0.00 0.00 177.00 175.82 1d4b s PRO 33 N -4.15 4.03 -1.20 0.56 0.04 -1.26 -4.92 135.00 128.10 1d4b s PRO 33 Ca 0.64 1.63 -0.20 0.00 0.04 0.00 0.00 61.00 63.11 1d4b s PRO 33 Cb -0.18 -2.52 -0.03 0.00 0.04 0.00 0.00 34.50 31.81 1d4b s PRO 33 CO 0.40 -0.28 1.88 -0.35 0.04 0.00 0.00 177.00 178.69 1d4b n PRO 34 N -0.17 2.23 -1.86 0.56 -0.04 -1.26 -4.96 135.00 129.50 1d4b n PRO 34 Ca 0.06 -2.70 -0.37 0.00 -0.04 0.00 0.00 63.50 60.44 1d4b n PRO 34 Cb 0.49 -3.54 0.05 0.00 -0.04 0.00 0.00 33.50 30.46 1d4b n PRO 34 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1d4b s GLN 35 N 5.32 2.83 -0.07 0.54 0.74 -1.26 -4.91 119.66 122.84 1d4b s GLN 35 Ca 0.61 2.00 -0.06 0.00 0.05 0.00 0.00 55.36 57.95 1d4b s GLN 35 Cb 0.03 -1.95 0.02 0.00 1.10 0.00 0.00 33.01 32.21 1d4b s GLN 35 CO 0.10 -1.37 0.19 0.50 -0.55 0.00 0.00 175.29 174.17 1d4b s ARG 36 N -3.27 0.22 -0.79 1.67 6.06 -1.24 -4.99 118.95 116.60 1d4b s ARG 36 Ca 0.79 0.29 -0.25 0.00 -2.50 0.00 0.00 55.73 54.05 1d4b s ARG 36 Cb -0.35 0.08 -0.02 0.00 0.06 0.00 0.00 34.95 34.72 1d4b s ARG 36 CO 0.38 -0.04 1.83 -1.25 -2.50 0.00 0.00 175.30 173.72 1d4b s PRO 37 N 0.22 2.71 -0.01 5.12 0.04 -1.26 -1.94 135.00 139.89 1d4b s PRO 37 Ca -0.01 -0.00 -0.19 0.00 0.04 0.00 0.00 61.00 60.84 1d4b s PRO 37 Cb -0.02 -4.76 -0.05 0.00 0.04 0.00 0.00 34.50 29.70 1d4b s PRO 37 CO -0.01 -2.94 0.55 -0.06 0.04 0.00 0.00 177.00 174.58 1d4b s PHE 38 N 8.96 3.69 -0.37 0.56 0.08 -0.84 -4.88 117.98 125.19 1d4b s PHE 38 Ca 0.64 1.14 -0.12 0.00 0.12 0.00 0.00 56.93 58.72 1d4b s PHE 38 Cb -0.09 -2.53 0.02 0.00 -0.57 0.00 0.00 43.02 39.85 1d4b s PHE 38 CO 0.08 0.41 0.22 0.50 -0.10 0.00 0.00 175.22 176.33 1d4b s ARG 39 N -0.37 2.99 -0.03 0.44 3.52 -1.26 -2.58 118.95 121.66 1d4b s ARG 39 Ca 0.29 -0.97 -0.02 0.00 -0.13 0.00 0.00 55.73 54.89 1d4b s ARG 39 Cb -0.18 -3.76 -0.04 0.00 -1.56 0.00 0.00 34.95 29.42 1d4b s ARG 39 CO 0.16 -0.64 0.11 0.08 -0.81 0.00 0.00 175.30 174.20 1d4b s VAL 40 N 1.60 5.02 -0.01 7.11 1.01 0.34 -4.18 120.40 131.28 1d4b s VAL 40 Ca 0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 61.98 61.78 1d4b s VAL 40 Cb -0.19 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1d4b s VAL 40 CO 0.08 0.41 0.02 0.00 0.00 0.00 0.00 175.10 175.60 1d4b s ASP 42 N 0.14 3.34 0.00 0.00 -1.08 -1.19 -4.17 116.67 113.72 1d4b s ASP 42 Ca -0.01 0.31 0.00 0.00 -0.52 0.00 0.00 52.55 52.33 1d4b s ASP 42 Cb -0.02 -0.43 0.00 0.00 -1.46 0.00 0.00 42.92 41.02 1d4b s ASP 42 CO -0.00 -2.59 0.10 1.57 0.52 0.00 0.00 175.17 174.76 1d4b n HIS 43 N -3.67 0.00 0.00 -5.34 -0.00 -1.26 -4.51 115.22 100.44 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 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.59 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 -0.21 0.00 -0.42 1.57 3.00 -1.26 -4.94 118.16 115.90 1d4b n LYS 44 Ca 0.00 0.16 0.00 0.00 -0.00 0.00 0.00 58.31 58.47 1d4b n LYS 44 Cb 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 35.03 34.38 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 -2.29 0.00 0.03 1.64 0.63 -1.26 -5.00 116.66 110.41 1d4b n ARG 45 Ca 0.00 -0.27 -0.03 0.00 -0.92 0.00 0.00 57.85 56.63 1d4b n ARG 45 Cb 0.00 -0.15 -0.02 0.00 0.45 0.00 0.00 32.46 32.75 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 5.16 0.00 -3.24 5.15 1.35 -1.92 -3.42 112.91 115.99 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 1.10 0.00 -0.39 0.00 -1.73 0.00 0.00 68.15 67.13 1d4b h THR 46 CO 0.00 0.00 -0.76 -0.63 -0.25 0.00 0.00 175.52 173.88 1d4b s ILE 47 N -3.48 0.19 -0.12 6.82 1.01 -1.26 -5.07 121.20 119.29 1d4b s ILE 47 Ca -0.03 0.03 -0.08 0.00 0.00 0.00 0.00 60.65 60.57 1d4b s ILE 47 Cb 0.01 -0.53 -0.04 0.00 0.01 0.00 0.00 42.46 41.91 1d4b s ILE 47 CO 0.10 0.06 0.17 -0.60 0.00 0.00 0.00 174.94 174.68 1d4b s ARG 48 N 2.03 3.61 -0.04 2.79 3.52 -1.26 -3.16 118.95 126.44 1d4b s ARG 48 Ca 0.03 -0.08 0.02 0.00 -0.13 0.00 0.00 55.73 55.58 1d4b s ARG 48 Cb -0.14 -3.23 0.01 0.00 -1.56 0.00 0.00 34.95 30.04 1d4b s ARG 48 CO -0.06 0.70 -0.07 0.21 -0.81 0.00 0.00 175.30 175.27 1d4b s LYS 49 N -0.82 0.96 -0.40 5.12 2.47 -0.33 -5.02 119.74 121.73 1d4b s LYS 49 Ca 0.15 -0.23 0.06 0.00 -1.56 0.00 0.00 55.97 54.39 1d4b s LYS 49 Cb -0.12 -0.90 0.20 0.00 -1.46 0.00 0.00 37.83 35.55 1d4b s LYS 49 CO 0.04 0.02 0.42 0.41 0.16 0.00 0.00 175.35 176.40 1d4b n GLY 50 N 3.65 2.35 3.49 5.54 0.00 -1.26 0.13 105.19 119.08 1d4b n GLY 50 Ca -0.22 -1.37 -0.24 0.00 0.00 0.00 0.00 46.02 44.20 1d4b n GLY 50 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1d4b s LEU 51 N -0.42 2.60 -0.03 0.99 2.01 -1.07 -4.90 118.68 117.87 1d4b s LEU 51 Ca 0.34 -1.20 -0.27 0.00 0.01 0.00 0.00 54.13 53.01 1d4b s LEU 51 Cb 0.09 -0.80 -0.03 0.00 0.01 0.00 0.00 46.19 45.45 1d4b s LEU 51 CO -0.16 -0.29 0.84 0.42 1.01 0.00 0.00 176.35 178.17 1d4b s THR 52 N -2.83 4.96 0.05 5.49 -4.23 -1.26 -1.98 115.64 115.84 1d4b s THR 52 Ca 0.31 1.75 0.03 0.00 -1.18 0.00 0.00 61.69 62.60 1d4b s THR 52 Cb 0.03 -4.18 -0.03 0.00 1.34 0.00 0.00 72.50 69.67 1d4b s THR 52 CO 0.14 0.20 -0.10 0.00 -0.54 0.00 0.00 174.62 174.33 1d4b s ALA 53 N 0.91 0.75 -0.30 3.99 0.00 -0.82 -4.87 121.76 121.43 1d4b s ALA 53 Ca 0.45 -0.84 -0.03 0.00 0.00 0.00 0.00 51.96 51.54 1d4b s ALA 53 Cb -0.19 0.00 0.10 0.00 0.00 0.00 0.00 23.12 23.03 1d4b s ALA 53 CO 0.23 0.03 0.12 0.00 0.00 0.00 0.00 175.76 176.14 1d4b s ALA 54 N -1.36 0.93 -0.07 0.00 0.00 -1.26 -3.69 121.76 116.31 1d4b s ALA 54 Ca -0.08 -1.29 -0.14 0.00 0.00 0.00 0.00 51.96 50.46 1d4b s ALA 54 Cb -0.10 -1.47 0.03 0.00 0.00 0.00 0.00 23.12 21.58 1d4b s ALA 54 CO 0.01 -1.66 0.33 0.99 0.00 0.00 0.00 175.76 175.43 1d4b s THR 55 N 1.93 0.03 0.00 0.00 2.01 -1.26 -5.01 115.64 113.34 1d4b s THR 55 Ca 0.09 -0.26 0.00 0.00 0.31 0.00 0.00 61.69 61.84 1d4b s THR 55 Cb -0.16 -0.56 0.00 0.00 0.01 0.00 0.00 72.50 71.79 1d4b s THR 55 CO -0.33 -0.14 0.00 -1.14 -0.69 0.00 0.00 174.62 172.32 1d4b n ARG 56 N 2.01 0.00 -0.01 4.92 0.63 -1.26 -4.38 116.66 118.58 1d4b n ARG 56 Ca -0.18 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.61 1d4b n ARG 56 Cb 0.57 -0.24 -0.14 0.00 0.45 0.00 0.00 32.46 33.10 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 -0.98 0.70 0.00 -0.14 7.27 -1.26 -3.89 117.38 119.07 1d4b n GLN 57 Ca 0.00 0.28 0.10 0.00 0.07 0.00 0.00 57.00 57.45 1d4b n GLN 57 Cb 0.00 -1.75 0.54 0.00 2.41 0.00 0.00 30.24 31.44 1d4b n GLN 57 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1d4b n GLU 58 N -3.26 0.37 -0.13 3.69 2.13 -1.26 -3.56 120.64 118.61 1d4b n GLU 58 Ca -0.24 0.07 -0.05 0.00 0.66 0.00 0.00 57.16 57.61 1d4b n GLU 58 Cb 1.05 -1.50 0.04 0.00 0.27 0.00 0.00 31.44 31.30 1d4b n GLU 58 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1d4b h LEU 59 N 0.00 0.16 -1.54 4.31 5.85 -1.76 -1.19 115.31 121.13 1d4b h LEU 59 Ca 0.00 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.80 1d4b h LEU 59 Cb 0.15 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1d4b h LEU 59 CO 0.00 0.13 0.34 0.25 -0.34 0.00 0.00 178.44 178.82 1d4b h LEU 60 N 0.32 0.52 -1.59 2.25 5.85 -1.84 -1.51 115.31 119.31 1d4b h LEU 60 Ca 0.20 -0.01 0.12 0.00 0.84 0.00 0.00 57.88 59.04 1d4b h LEU 60 Cb 0.19 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1d4b h LEU 60 CO -0.20 0.36 0.46 0.00 -0.34 0.00 0.00 178.44 178.72 1d4b h ALA 61 N 1.70 2.05 0.12 1.25 0.00 -1.43 -2.01 119.26 120.94 1d4b h ALA 61 Ca 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1d4b h ALA 61 Cb 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1d4b h ALA 61 CO -0.05 -0.22 -0.06 -0.22 0.00 0.00 0.00 179.25 178.70 1d4b h LYS 62 N 0.43 -0.15 -1.17 0.00 3.64 -1.23 -2.28 116.57 115.81 1d4b h LYS 62 Ca 0.33 0.01 0.34 0.00 -1.27 0.00 0.00 60.65 60.06 1d4b h LYS 62 Cb 0.70 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.51 1d4b h LYS 62 CO -0.10 -0.04 0.86 0.00 -2.27 0.00 0.00 179.45 177.90 1d4b h ALA 63 N 0.66 3.10 -0.91 5.00 0.00 -1.44 0.45 119.26 126.12 1d4b h ALA 63 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1d4b h ALA 63 Cb 0.18 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1d4b h ALA 63 CO 0.03 -1.47 0.00 1.28 0.00 0.00 0.00 179.25 179.09 1d4b n LEU 64 N -4.12 0.78 0.18 0.00 4.77 -0.87 -4.14 117.00 113.60 1d4b n LEU 64 Ca 0.25 0.42 0.13 0.00 -0.03 0.00 0.00 56.01 56.79 1d4b n LEU 64 Cb 1.25 -0.35 0.62 0.00 -2.33 0.00 0.00 43.42 42.61 1d4b n LEU 64 CO 0.40 -0.35 0.90 -0.08 -1.33 0.00 0.00 177.39 176.92 1d4b h GLU 65 N 0.00 0.00 -0.68 3.23 4.22 -1.36 -3.18 114.58 116.82 1d4b h GLU 65 Ca 0.00 0.00 0.15 0.00 0.08 0.00 0.00 59.36 59.59 1d4b h GLU 65 Cb 0.00 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.14 1d4b h GLU 65 CO 0.00 0.00 0.02 0.00 -2.18 0.00 0.00 179.01 176.85 1d4b h THR 66 N 0.00 0.44 0.00 0.32 1.03 -0.25 -3.28 112.91 111.16 1d4b h THR 66 Ca 0.00 -0.04 -0.37 0.00 -0.01 0.00 0.00 66.41 65.99 1d4b h THR 66 Cb 0.23 0.30 -0.05 0.00 -1.07 0.00 0.00 68.15 67.55 1d4b h THR 66 CO 0.00 0.02 -2.21 0.18 -0.01 0.00 0.00 175.52 173.50 1d4b n LEU 67 N -5.29 1.87 -4.12 0.00 4.77 -1.22 -5.04 117.00 107.96 1d4b n LEU 67 Ca 0.11 0.32 -0.09 0.00 -0.03 0.00 0.00 56.01 56.32 1d4b n LEU 67 Cb 0.40 -0.77 -0.10 0.00 -2.33 0.00 0.00 43.42 40.62 1d4b n LEU 67 CO 0.09 0.40 -0.37 -0.76 -1.33 0.00 0.00 177.39 175.42 1d4b s LEU 68 N -7.51 2.48 -0.32 2.23 2.01 -1.20 -5.12 118.68 111.24 1d4b s LEU 68 Ca -0.35 -0.96 -0.18 0.00 0.01 0.00 0.00 54.13 52.65 1d4b s LEU 68 Cb 0.12 0.05 -0.01 0.00 0.01 0.00 0.00 46.19 46.36 1d4b s LEU 68 CO 0.46 -0.51 0.50 -1.48 1.01 0.00 0.00 176.35 176.33 1d4b s LEU 69 N -2.86 4.23 0.03 1.79 0.05 -1.26 -3.20 118.68 117.46 1d4b s LEU 69 Ca 0.08 0.15 0.01 0.00 0.05 0.00 0.00 54.13 54.42 1d4b s LEU 69 Cb 0.05 -2.58 -0.02 0.00 -2.05 0.00 0.00 46.19 41.59 1d4b s LEU 69 CO -0.07 -0.39 -0.05 0.21 -0.55 0.00 0.00 176.35 175.49 1d4b s ASN 70 N 1.69 0.56 0.10 1.48 3.84 -1.26 -5.04 114.94 116.31 1d4b s ASN 70 Ca 0.19 -0.48 -0.09 0.00 0.21 0.00 0.00 52.86 52.68 1d4b s ASN 70 Cb -0.16 0.05 -0.18 0.00 -0.55 0.00 0.00 41.25 40.42 1d4b s ASN 70 CO 0.12 -0.22 1.23 1.23 -2.79 0.00 0.00 177.10 176.67 1d4b h GLY 71 N 4.71 0.62 -6.63 1.21 0.00 -2.01 -3.45 103.07 97.52 1d4b h GLY 71 Ca -0.33 -1.12 -0.32 0.00 0.00 0.00 0.00 47.33 45.56 1d4b h GLY 71 CO 0.42 0.99 -0.74 0.14 0.00 0.00 0.00 176.54 177.35 1d4b s VAL 72 N -3.25 -0.02 -0.00 4.60 1.01 -1.26 -5.14 120.40 116.33 1d4b s VAL 72 Ca -0.08 0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.14 1d4b s VAL 72 Cb 0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 36.38 36.32 1d4b s VAL 72 CO 0.90 0.12 -0.04 -0.22 0.00 0.00 0.00 175.10 175.86 1d4b s LEU 73 N 1.26 2.02 -0.02 3.92 1.98 -1.26 -5.07 118.68 121.51 1d4b s LEU 73 Ca -0.07 -0.10 -0.28 0.00 -2.89 0.00 0.00 54.13 50.80 1d4b s LEU 73 Cb -0.13 -0.18 -0.03 0.00 0.66 0.00 0.00 46.19 46.51 1d4b s LEU 73 CO -0.03 0.02 0.88 0.42 -1.89 0.00 0.00 176.35 175.75 1d4b s THR 74 N -0.17 4.92 -0.21 3.68 -4.23 -1.23 -5.02 115.64 113.37 1d4b s THR 74 Ca 0.00 1.84 -0.06 0.00 -1.18 0.00 0.00 61.69 62.29 1d4b s THR 74 Cb -0.02 -4.22 -0.03 0.00 1.34 0.00 0.00 72.50 69.57 1d4b s THR 74 CO -0.00 0.20 0.04 -0.76 -0.54 0.00 0.00 174.62 173.56 1d4b s LEU 75 N 0.87 3.50 0.12 4.79 1.43 -1.19 -3.74 118.68 124.46 1d4b s LEU 75 Ca 0.46 -0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.50 1d4b s LEU 75 Cb -0.20 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 1d4b s LEU 75 CO 0.25 0.07 -0.11 0.68 0.23 0.00 0.00 176.35 177.47 1d4b s VAL 76 N 0.98 1.12 0.07 -1.59 -7.23 -1.24 0.55 120.40 113.06 1d4b s VAL 76 Ca 0.03 -1.84 0.09 0.00 -1.81 0.00 0.00 61.98 58.45 1d4b s VAL 76 Cb -0.14 -1.61 -0.03 0.00 0.56 0.00 0.00 36.38 35.16 1d4b s VAL 76 CO 0.02 -0.61 -0.23 -1.48 -0.31 0.00 0.00 175.10 172.49 1d4b s LEU 77 N -2.76 2.22 0.08 1.32 2.34 -1.12 -3.90 118.68 116.87 1d4b s LEU 77 Ca 0.11 -0.61 0.23 0.00 0.06 0.00 0.00 54.13 53.92 1d4b s LEU 77 Cb -0.01 -1.06 0.09 0.00 -0.56 0.00 0.00 46.19 44.65 1d4b s LEU 77 CO 0.01 0.16 1.07 1.21 -1.06 0.00 0.00 176.35 177.74 1d4b n GLU 78 N 1.50 0.35 -0.12 1.48 2.13 -1.26 -2.35 120.64 122.37 1d4b n GLU 78 Ca -0.18 0.02 -0.05 0.00 0.66 0.00 0.00 57.16 57.61 1d4b n GLU 78 Cb 0.53 -1.64 0.03 0.00 0.27 0.00 0.00 31.44 30.62 1d4b n GLU 78 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1d4b h GLU 79 N 0.00 0.26 0.00 5.31 4.81 -1.98 -3.32 114.58 119.65 1d4b h GLU 79 Ca 0.00 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 1d4b h GLU 79 Cb 0.78 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 1d4b h GLU 79 CO 0.00 0.17 -1.37 -3.47 -0.73 0.00 0.00 179.01 173.61 1d4b n ASP 80 N -5.04 3.61 -0.71 1.04 2.03 -1.26 -5.06 116.55 111.16 1d4b n ASP 80 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 1d4b n ASP 80 Cb 0.15 0.72 0.00 0.00 -0.72 0.00 0.00 41.12 41.28 1d4b n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1d4b n GLY 81 N 2.59 0.81 3.03 0.27 0.00 -0.99 -5.11 105.19 105.78 1d4b n GLY 81 Ca -0.08 -0.47 -0.08 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.40 0.15 0.47 2.61 2.01 -1.22 -5.00 115.64 112.25 1d4b s THR 82 Ca 0.00 -1.20 -0.10 0.00 0.31 0.00 0.00 61.69 60.70 1d4b s THR 82 Cb 0.00 -0.70 -0.06 0.00 0.01 0.00 0.00 72.50 71.76 1d4b s THR 82 CO 0.00 -0.66 0.84 0.00 -0.69 0.00 0.00 174.62 174.11 1d4b s ALA 83 N -2.30 3.29 -0.06 7.40 0.00 -1.26 -2.78 121.76 126.05 1d4b s ALA 83 Ca -0.08 -0.22 -0.06 0.00 0.00 0.00 0.00 51.96 51.60 1d4b s ALA 83 Cb -0.04 -2.78 0.02 0.00 0.00 0.00 0.00 23.12 20.32 1d4b s ALA 83 CO -0.04 -0.22 0.16 0.08 0.00 0.00 0.00 175.76 175.74 1d4b s VAL 84 N -2.62 -0.00 0.00 0.00 1.01 0.19 -4.96 120.40 114.02 1d4b s VAL 84 Ca 0.52 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.57 1d4b s VAL 84 Cb -0.10 -0.23 0.12 0.00 0.00 0.00 0.00 36.38 36.17 1d4b s VAL 84 CO 0.38 0.00 0.98 -0.90 0.00 0.00 0.00 175.10 175.56 1d4b n ASP 85 N 2.99 0.20 -3.56 3.32 5.75 -1.26 -3.17 116.55 120.82 1d4b n ASP 85 Ca -0.12 -1.85 -0.15 0.00 -0.01 0.00 0.00 54.79 52.66 1d4b n ASP 85 Cb 0.59 -0.15 -0.06 0.00 -1.03 0.00 0.00 41.12 40.46 1d4b n ASP 85 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1d4b s SER 86 N -1.14 0.82 0.48 -1.12 1.04 -1.26 -5.01 113.70 107.51 1d4b s SER 86 Ca 0.10 -1.46 0.28 0.00 0.48 0.00 0.00 55.95 55.35 1d4b s SER 86 Cb 0.11 0.57 1.53 0.00 0.10 0.00 0.00 66.02 68.34 1d4b s SER 86 CO -0.05 -1.13 1.85 -0.08 0.98 0.00 0.00 173.24 174.80 1d4b h GLU 87 N 2.23 0.00 0.00 4.02 4.81 -1.99 -1.61 114.58 122.04 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 0.40 0.00 0.00 -3.47 -0.73 0.00 0.00 179.01 175.21 1d4b n ASP 88 N -2.57 0.01 -0.31 1.04 -0.08 -1.26 -3.36 116.55 110.02 1d4b n ASP 88 Ca -0.02 0.50 0.02 0.00 -1.51 0.00 0.00 54.79 53.79 1d4b n ASP 88 Cb 0.16 -0.51 0.09 0.00 2.34 0.00 0.00 41.12 43.20 1d4b n ASP 88 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1d4b h PHE 89 N 0.00 -0.64 0.00 -0.67 3.57 -1.70 0.69 116.94 118.20 1d4b h PHE 89 Ca 0.00 0.08 -0.12 0.00 3.53 0.00 0.00 57.97 61.47 1d4b h PHE 89 Cb 0.03 0.41 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 1d4b h PHE 89 CO 0.00 -0.39 -1.27 0.74 -2.23 0.00 0.00 178.31 175.16 1d4b h PHE 90 N -0.02 0.00 -0.00 0.41 0.04 -1.86 -3.33 116.94 112.19 1d4b h PHE 90 Ca 0.39 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.16 1d4b h PHE 90 Cb 0.63 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.78 1d4b h PHE 90 CO -0.72 0.40 -0.00 0.94 -0.60 0.00 0.00 178.31 178.33 1d4b n GLN 91 N -2.83 0.12 0.01 1.51 7.27 -0.07 -3.16 117.38 120.22 1d4b n GLN 91 Ca -0.07 -0.00 0.12 0.00 0.07 0.00 0.00 57.00 57.13 1d4b n GLN 91 Cb 0.75 -1.50 0.25 0.00 2.41 0.00 0.00 30.24 32.15 1d4b n GLN 91 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1d4b n LEU 92 N -1.44 0.50 -4.31 1.69 0.00 0.22 -4.91 117.00 108.75 1d4b n LEU 92 Ca 0.09 0.06 -0.17 0.00 0.00 0.00 0.00 56.01 55.99 1d4b n LEU 92 Cb 0.31 -0.25 -0.10 0.00 0.00 0.00 0.00 43.42 43.38 1d4b n LEU 92 CO 0.26 0.09 -0.36 -0.76 0.00 0.00 0.00 177.39 176.62 1d4b s LEU 93 N -3.19 2.31 1.27 -1.96 1.02 -1.19 -5.10 118.68 111.84 1d4b s LEU 93 Ca 0.10 -1.15 -0.19 0.00 0.02 0.00 0.00 54.13 52.91 1d4b s LEU 93 Cb 0.17 -0.33 0.31 0.00 0.02 0.00 0.00 46.19 46.37 1d4b s LEU 93 CO 0.70 -0.44 1.02 -1.61 0.02 0.00 0.00 176.35 176.03 1d4b s GLU 94 N -3.82 -1.76 0.05 1.70 2.02 -1.26 -4.82 118.70 110.81 1d4b s GLU 94 Ca 0.25 0.24 -0.30 0.00 0.02 0.00 0.00 54.97 55.18 1d4b s GLU 94 Cb 0.04 -1.51 -0.09 0.00 0.10 0.00 0.00 34.13 32.68 1d4b s GLU 94 CO 0.07 -4.13 1.97 -3.47 0.02 0.00 0.00 175.26 169.71 1d4b n ASP 95 N -5.12 4.18 -3.52 -0.19 2.03 -1.26 -4.90 116.55 107.77 1d4b n ASP 95 Ca 0.10 0.91 -0.03 0.00 0.52 0.00 0.00 54.79 56.29 1d4b n ASP 95 Cb 0.58 -1.53 0.01 0.00 -0.72 0.00 0.00 41.12 39.46 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 4.30 -0.05 -0.29 1.67 1.47 -1.26 -5.13 116.67 117.38 1d4b s ASP 96 Ca 0.88 -0.53 -0.01 0.00 1.18 0.00 0.00 52.55 54.07 1d4b s ASP 96 Cb -0.43 0.45 0.09 0.00 -0.34 0.00 0.00 42.92 42.69 1d4b s ASP 96 CO 0.41 -0.87 0.08 -0.89 0.68 0.00 0.00 175.17 174.58 1d4b s THR 97 N -2.51 0.85 -0.04 2.11 2.01 -1.26 -5.05 115.64 111.74 1d4b s THR 97 Ca 0.19 -1.25 -0.02 0.00 0.31 0.00 0.00 61.69 60.92 1d4b s THR 97 Cb -0.01 -1.56 0.03 0.00 0.01 0.00 0.00 72.50 70.96 1d4b s THR 97 CO 0.03 -0.57 0.08 0.00 -0.69 0.00 0.00 174.62 173.47 1d4b s LEU 99 N 0.82 0.05 -0.09 0.00 2.96 -1.26 -4.96 118.68 116.20 1d4b s LEU 99 Ca -0.07 -0.03 0.03 0.00 -0.22 0.00 0.00 54.13 53.84 1d4b s LEU 99 Cb -0.09 0.09 -0.02 0.00 0.50 0.00 0.00 46.19 46.68 1d4b s LEU 99 CO -0.03 -0.28 -0.16 -0.32 -1.32 0.00 0.00 176.35 174.23 1d4b s MET 100 N 2.24 2.93 -0.18 1.98 -2.45 -1.25 -3.80 119.30 118.76 1d4b s MET 100 Ca 0.04 -0.74 -0.02 0.00 -1.25 0.00 0.00 55.69 53.72 1d4b s MET 100 Cb -0.14 -2.44 0.05 0.00 1.25 0.00 0.00 34.83 33.56 1d4b s MET 100 CO -0.07 0.37 0.00 0.08 1.05 0.00 0.00 175.02 176.46 1d4b s VAL 101 N -0.09 0.74 0.30 10.11 1.01 -1.26 -3.72 120.40 127.49 1d4b s VAL 101 Ca -0.03 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.32 1d4b s VAL 101 Cb -0.14 -1.12 -0.00 0.00 0.00 0.00 0.00 36.38 35.11 1d4b s VAL 101 CO 0.04 -0.08 0.43 -1.48 0.00 0.00 0.00 175.10 174.01 1d4b s LEU 102 N 1.77 0.84 0.65 3.92 0.05 -1.25 -4.86 118.68 119.80 1d4b s LEU 102 Ca -0.01 -1.32 -0.11 0.00 0.05 0.00 0.00 54.13 52.74 1d4b s LEU 102 Cb -0.16 1.42 -0.02 0.00 -2.05 0.00 0.00 46.19 45.38 1d4b s LEU 102 CO -0.07 -1.20 1.05 -1.58 -0.55 0.00 0.00 176.35 174.00 1d4b s GLN 103 N -3.45 3.33 1.05 1.48 0.74 -1.26 -3.57 119.66 117.98 1d4b s GLN 103 Ca 0.29 0.64 -0.12 0.00 0.05 0.00 0.00 55.36 56.22 1d4b s GLN 103 Cb 0.00 -2.06 0.22 0.00 1.10 0.00 0.00 33.01 32.27 1d4b s GLN 103 CO 0.16 -0.73 1.07 -1.54 -0.55 0.00 0.00 175.29 173.70 1d4b s SER 104 N -4.24 2.09 0.00 6.67 1.04 -1.26 -4.21 113.70 113.79 1d4b s SER 104 Ca 0.56 1.38 0.00 0.00 0.48 0.00 0.00 55.95 58.37 1d4b s SER 104 Cb -0.11 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 63.93 1d4b s SER 104 CO 0.53 -3.49 0.00 0.61 0.98 0.00 0.00 173.24 171.87 1d4b n GLY 105 N -0.34 0.77 3.30 7.32 0.00 -1.26 -5.07 105.19 109.91 1d4b n GLY 105 Ca 0.05 -0.67 -0.16 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.35 1.22 0.25 1.61 0.74 -1.26 -5.17 119.66 113.70 1d4b s GLN 106 Ca 0.00 -1.56 0.01 0.00 0.05 0.00 0.00 55.36 53.86 1d4b s GLN 106 Cb 0.00 -0.74 -0.04 0.00 1.10 0.00 0.00 33.01 33.33 1d4b s GLN 106 CO 0.00 0.04 0.15 -1.12 -0.55 0.00 0.00 175.29 173.81 1d4b s SER 107 N -3.25 0.78 0.19 6.67 0.01 -1.26 -5.14 113.70 111.70 1d4b s SER 107 Ca 0.22 -1.47 -0.30 0.00 1.31 0.00 0.00 55.95 55.71 1d4b s SER 107 Cb 0.03 0.36 -0.08 0.00 0.21 0.00 0.00 66.02 66.55 1d4b s SER 107 CO 0.05 -0.86 0.95 0.26 0.41 0.00 0.00 173.24 174.05 1d4b s TRP 108 N -3.90 3.91 -0.02 2.43 0.51 -1.26 -5.05 118.94 115.56 1d4b s TRP 108 Ca 0.38 1.87 -0.02 0.00 -2.12 0.00 0.00 56.10 56.21 1d4b s TRP 108 Cb 0.06 -3.01 -0.04 0.00 -0.81 0.00 0.00 33.47 29.67 1d4b s TRP 108 CO 0.15 0.35 0.11 -1.54 -0.51 0.00 0.00 176.95 175.51 1d4b s SER 109 N -0.69 5.93 1.03 2.95 1.04 -1.26 -5.10 113.70 117.60 1d4b s SER 109 Ca 0.43 0.24 -0.16 0.00 0.48 0.00 0.00 55.95 56.95 1d4b s SER 109 Cb -0.25 -1.78 0.21 0.00 0.10 0.00 0.00 66.02 64.30 1d4b s SER 109 CO 0.31 0.29 1.18 -2.16 0.98 0.00 0.00 173.24 173.84 1d4b s PRO 110 N -1.66 0.13 0.06 4.02 0.04 -1.26 -5.01 135.00 131.33 1d4b s PRO 110 Ca 0.23 -0.02 -0.24 0.00 0.04 0.00 0.00 61.00 61.00 1d4b s PRO 110 Cb -0.12 -1.75 -0.06 0.00 0.04 0.00 0.00 34.50 32.61 1d4b s PRO 110 CO 0.13 -2.82 0.73 0.99 0.04 0.00 0.00 177.00 176.08 1d4b s THR 111 N -3.34 4.68 0.79 1.26 2.01 -1.26 -5.03 115.64 114.74 1d4b s THR 111 Ca 0.69 1.57 -0.13 0.00 0.31 0.00 0.00 61.69 64.13 1d4b s THR 111 Cb -0.10 -4.08 0.07 0.00 0.01 0.00 0.00 72.50 68.40 1d4b s THR 111 CO 0.54 0.42 1.18 -0.13 -0.69 0.00 0.00 174.62 175.94 1d4b s ARG 112 N -0.36 1.82 0.00 4.92 3.00 -1.26 -5.01 118.95 122.06 1d4b s ARG 112 Ca 0.36 1.66 0.00 0.00 0.00 0.00 0.00 55.73 57.76 1d4b s ARG 112 Cb -0.21 -1.81 0.00 0.00 0.00 0.00 0.00 34.95 32.94 1d4b s ARG 112 CO 0.23 -2.06 0.00 0.43 0.00 0.00 0.00 175.30 173.90 1d4b n SER 113 N -3.21 0.00 0.00 0.23 7.64 -1.26 -5.04 113.62 111.98 1d4b n SER 113 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1d4b n SER 113 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 1d4b n SER 113 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1d4b n GLY 114 N 2.73 0.00 3.57 0.23 0.00 -1.26 -4.95 105.19 105.51 1d4b n GLY 114 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.67 3.44 -0.21 1.61 1.01 -1.26 -4.90 120.40 118.42 1d4b s VAL 115 Ca 0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 1d4b s VAL 115 Cb 0.00 -4.19 -0.00 0.00 0.00 0.00 0.00 36.38 32.19 1d4b s VAL 115 CO 0.00 -0.87 -0.07 -0.22 0.00 0.00 0.00 175.10 173.94 1d4b s LEU 116 N 11.11 2.75 -0.29 3.92 0.20 -1.26 -5.05 118.68 130.05 1d4b s LEU 116 Ca 0.71 -0.46 0.02 0.00 0.69 0.00 0.00 54.13 55.09 1d4b s LEU 116 Cb -0.04 -1.69 0.20 0.00 -0.43 0.00 0.00 46.19 44.23 1d4b s LEU 116 CO 0.07 -0.02 0.67 -2.28 -0.29 0.00 0.00 176.35 174.50 1d4b s HIS 117 N 1.44 -1.58 -0.01 5.38 2.46 -1.26 -5.15 115.29 116.57 1d4b s HIS 117 Ca 0.06 1.07 0.00 0.00 0.47 0.00 0.00 55.06 56.65 1d4b s HIS 117 Cb -0.14 0.33 0.02 0.00 -0.13 0.00 0.00 32.58 32.66 1d4b s HIS 117 CO -0.05 -0.91 0.02 -1.58 -2.47 0.00 0.00 174.74 169.75 1d4b s HIS 118 N 2.86 0.05 -0.29 3.88 5.04 -1.26 -5.13 115.29 120.43 1d4b s HIS 118 Ca 0.14 0.08 -0.14 0.00 -1.54 0.00 0.00 55.06 53.59 1d4b s HIS 118 Cb -0.10 -0.19 0.14 0.00 0.04 0.00 0.00 32.58 32.47 1d4b s HIS 118 CO -0.24 -0.07 0.88 -3.38 -2.34 0.00 0.00 174.74 169.59 1d4b s HIS 119 N 0.75 -0.83 0.06 3.88 -3.43 -1.26 -5.18 115.29 109.29 1d4b s HIS 119 Ca -0.06 1.52 0.01 0.00 -0.80 0.00 0.00 55.06 55.73 1d4b s HIS 119 Cb -0.09 0.50 0.01 0.00 -1.43 0.00 0.00 32.58 31.56 1d4b s HIS 119 CO -0.02 -0.41 0.06 -2.39 -2.00 0.00 0.00 174.74 169.98 1d4b n HIS 120 N 4.58 -1.77 -3.83 0.38 1.44 -1.26 -5.15 115.22 109.60 1d4b n HIS 120 Ca -0.14 -0.25 -0.06 0.00 -2.01 0.00 0.00 57.72 55.25 1d4b n HIS 120 Cb 0.54 -0.05 0.01 0.00 0.12 0.00 0.00 29.99 30.61 1d4b n HIS 120 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1d4b s HIS 121 N -0.08 0.04 0.00 -1.40 2.46 -1.26 -5.37 115.29 109.68 1d4b s HIS 121 Ca 0.04 -0.57 0.00 0.00 0.47 0.00 0.00 55.06 55.00 1d4b s HIS 121 Cb -0.00 0.76 0.00 0.00 -0.13 0.00 0.00 32.58 33.21 1d4b s HIS 121 CO 0.03 -1.26 0.00 -2.39 -2.47 0.00 0.00 174.74 168.64