#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d4b n GLU 2 N 0.00 3.24 0.17 2.12 4.07 -1.26 -4.70 120.64 124.28 1d4b n GLU 2 Ca 0.00 -4.10 0.05 0.00 -0.06 0.00 0.00 57.16 53.05 1d4b n GLU 2 Cb 0.00 -2.26 0.10 0.00 -0.06 0.00 0.00 31.44 29.22 1d4b n GLU 2 CO 0.00 0.00 0.00 1.88 -0.06 0.00 0.00 177.13 178.95 1d4b h TYR 3 N 2.54 0.00 -1.80 4.31 0.05 -2.06 -3.43 116.97 116.58 1d4b h TYR 3 Ca 0.40 0.00 -0.52 0.00 0.05 0.00 0.00 58.73 58.66 1d4b h TYR 3 Cb 0.83 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.57 1d4b h TYR 3 CO 0.97 0.36 1.57 -0.51 -1.05 0.00 0.00 178.16 179.50 1d4b s LEU 4 N -6.44 3.42 -0.07 3.88 1.43 -1.26 -4.71 118.68 114.93 1d4b s LEU 4 Ca 0.04 1.45 0.02 0.00 -1.03 0.00 0.00 54.13 54.61 1d4b s LEU 4 Cb 0.07 -2.98 -0.05 0.00 0.03 0.00 0.00 46.19 43.26 1d4b s LEU 4 CO 0.72 -2.45 -0.04 -1.20 0.23 0.00 0.00 176.35 173.60 1d4b n SER 5 N 13.95 3.48 0.00 2.29 7.64 -1.26 -5.04 113.62 134.68 1d4b n SER 5 Ca 0.33 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1d4b n SER 5 Cb 0.50 0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 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 -2.59 0.00 -0.05 -0.43 0.00 -1.26 -5.06 120.51 111.12 1d4b n ALA 6 Ca -0.12 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.29 1d4b n ALA 6 Cb 0.65 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.09 1d4b n ALA 6 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1d4b n LEU 7 N 0.00 1.13 -4.41 0.00 7.94 -1.26 -4.98 117.00 115.43 1d4b n LEU 7 Ca 0.00 0.45 -0.30 0.00 -1.11 0.00 0.00 56.01 55.05 1d4b n LEU 7 Cb 0.00 -0.72 -0.13 0.00 0.53 0.00 0.00 43.42 43.10 1d4b n LEU 7 CO 0.00 -0.47 -0.53 0.20 -1.11 0.00 0.00 177.39 175.49 1d4b s ASN 8 N -4.93 3.53 0.19 1.96 0.01 -1.26 -5.02 114.94 109.41 1d4b s ASN 8 Ca -0.10 -0.51 0.01 0.00 -0.71 0.00 0.00 52.86 51.54 1d4b s ASN 8 Cb 0.01 -0.46 0.09 0.00 0.41 0.00 0.00 41.25 41.30 1d4b s ASN 8 CO 0.15 0.25 1.45 1.55 -1.51 0.00 0.00 177.10 178.99 1d4b h PRO 9 N 4.59 0.32 -7.32 -0.60 0.13 -1.97 -3.45 132.00 123.70 1d4b h PRO 9 Ca -0.47 -0.27 -0.48 0.00 -0.87 0.00 0.00 66.00 63.91 1d4b h PRO 9 Cb 1.15 0.06 0.15 0.00 0.13 0.00 0.00 31.00 32.49 1d4b h PRO 9 CO 0.45 0.92 0.23 0.45 -0.23 0.00 0.00 178.00 179.82 1d4b s SER 10 N -6.95 3.24 -0.40 1.44 0.15 -1.26 -5.04 113.70 104.88 1d4b s SER 10 Ca -0.05 1.53 -0.00 0.00 0.70 0.00 0.00 55.95 58.13 1d4b s SER 10 Cb 0.11 -2.20 0.19 0.00 -1.71 0.00 0.00 66.02 62.41 1d4b s SER 10 CO 0.83 -2.79 0.88 -0.62 1.20 0.00 0.00 173.24 172.73 1d4b s ASP 11 N -3.31 -0.91 0.20 5.45 2.15 -1.26 -5.11 116.67 113.88 1d4b s ASP 11 Ca 0.64 -0.78 0.10 0.00 0.43 0.00 0.00 52.55 52.93 1d4b s ASP 11 Cb -0.19 1.17 -0.04 0.00 -0.30 0.00 0.00 42.92 43.56 1d4b s ASP 11 CO 0.58 -0.06 -0.19 -0.76 -0.17 0.00 0.00 175.17 174.56 1d4b s LEU 12 N 1.39 2.49 -0.40 -1.34 1.43 -1.26 -5.09 118.68 115.89 1d4b s LEU 12 Ca 0.21 -0.93 0.07 0.00 -1.03 0.00 0.00 54.13 52.46 1d4b s LEU 12 Cb 0.03 -0.92 0.23 0.00 0.03 0.00 0.00 46.19 45.56 1d4b s LEU 12 CO -0.09 -0.01 0.51 0.18 0.23 0.00 0.00 176.35 177.16 1d4b n LEU 13 N -0.03 -0.25 -4.91 1.79 4.32 -1.26 -5.12 117.00 111.53 1d4b n LEU 13 Ca -0.10 -4.49 -0.27 0.00 -0.02 0.00 0.00 56.01 51.12 1d4b n LEU 13 Cb 0.58 0.64 -0.02 0.00 -1.62 0.00 0.00 43.42 43.00 1d4b n LEU 13 CO 0.32 2.02 0.27 -0.13 -1.22 0.00 0.00 177.39 178.65 1d4b s ARG 14 N -0.75 3.58 -0.13 3.23 0.52 -1.26 -5.09 118.95 119.06 1d4b s ARG 14 Ca 0.34 -0.01 -0.00 0.00 -0.52 0.00 0.00 55.73 55.54 1d4b s ARG 14 Cb 0.14 -2.56 -0.02 0.00 0.52 0.00 0.00 34.95 33.03 1d4b s ARG 14 CO -0.14 0.07 -0.12 -1.12 0.02 0.00 0.00 175.30 174.01 1d4b s SER 15 N -3.65 4.08 -0.64 0.23 0.01 -1.26 -5.05 113.70 107.42 1d4b s SER 15 Ca 0.44 -0.31 0.05 0.00 1.31 0.00 0.00 55.95 57.45 1d4b s SER 15 Cb -0.10 -1.62 0.20 0.00 0.21 0.00 0.00 66.02 64.71 1d4b s SER 15 CO 0.35 0.17 0.58 0.52 0.41 0.00 0.00 173.24 175.27 1d4b n VAL 16 N 3.51 1.49 -2.75 3.43 0.31 -1.26 -4.92 118.33 118.14 1d4b n VAL 16 Ca -0.18 -4.81 -0.07 0.00 -0.01 0.00 0.00 64.34 59.26 1d4b n VAL 16 Cb 0.53 -2.09 0.05 0.00 -0.91 0.00 0.00 33.84 31.41 1d4b n VAL 16 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1d4b n SER 17 N 1.59 -2.92 -4.44 4.52 2.88 -1.26 -5.14 113.62 108.85 1d4b n SER 17 Ca 0.25 -3.19 -0.31 0.00 -1.33 0.00 0.00 58.87 54.29 1d4b n SER 17 Cb 0.40 1.78 -0.13 0.00 -0.75 0.00 0.00 64.21 65.51 1d4b n SER 17 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1d4b s ASN 18 N -1.29 3.69 0.00 -3.46 4.22 -1.26 -5.04 114.94 111.80 1d4b s ASN 18 Ca 0.31 -0.47 0.00 0.00 -2.14 0.00 0.00 52.86 50.57 1d4b s ASN 18 Cb 0.20 -0.55 0.00 0.00 1.28 0.00 0.00 41.25 42.18 1d4b s ASN 18 CO -0.22 0.25 0.00 0.00 -2.04 0.00 0.00 177.10 175.09 1d4b n ILE 19 N 1.53 0.00 -1.66 0.54 3.06 -1.26 -5.05 119.36 116.53 1d4b n ILE 19 Ca -0.16 0.00 -0.40 0.00 -2.50 0.00 0.00 62.75 59.69 1d4b n ILE 19 Cb 0.52 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.69 1d4b n ILE 19 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 1d4b n SER 20 N 0.00 8.37 -4.78 9.51 2.88 -1.26 -4.95 113.62 123.40 1d4b n SER 20 Ca 0.00 -2.86 -0.39 0.00 -1.33 0.00 0.00 58.87 54.29 1d4b n SER 20 Cb 0.00 -1.46 -0.06 0.00 -0.75 0.00 0.00 64.21 61.94 1d4b n SER 20 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1d4b s SER 21 N 1.28 7.40 0.34 -3.46 1.04 -1.26 -5.06 113.70 113.99 1d4b s SER 21 Ca 0.62 1.69 -0.02 0.00 0.48 0.00 0.00 55.95 58.72 1d4b s SER 21 Cb 0.18 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.79 1d4b s SER 21 CO -0.08 0.17 0.47 -1.61 0.98 0.00 0.00 173.24 173.17 1d4b s GLU 22 N -1.29 1.91 -0.06 4.02 8.01 -1.26 -5.17 118.70 124.86 1d4b s GLU 22 Ca 0.38 -1.76 -0.05 0.00 0.01 0.00 0.00 54.97 53.54 1d4b s GLU 22 Cb -0.23 0.44 0.02 0.00 -4.31 0.00 0.00 34.13 30.05 1d4b s GLU 22 CO 0.27 -0.79 0.16 -0.06 0.01 0.00 0.00 175.26 174.85 1d4b s PHE 23 N -3.06 -0.18 -0.25 1.61 0.08 -1.26 -5.13 117.98 109.78 1d4b s PHE 23 Ca 0.31 0.45 -0.02 0.00 0.12 0.00 0.00 56.93 57.78 1d4b s PHE 23 Cb -0.00 0.05 0.13 0.00 -0.57 0.00 0.00 43.02 42.63 1d4b s PHE 23 CO 0.20 -0.09 0.36 0.20 -0.10 0.00 0.00 175.22 175.79 1d4b s GLY 24 N 0.19 -0.38 -0.60 4.36 0.00 -1.26 -5.09 107.32 104.54 1d4b s GLY 24 Ca -0.01 0.64 -0.01 0.00 0.00 0.00 0.00 44.72 45.34 1d4b s GLY 24 CO -0.00 2.68 0.39 0.50 0.00 0.00 0.00 173.10 176.67 1d4b s ARG 25 N 2.51 2.42 -0.30 2.90 0.52 -1.26 -5.06 118.95 120.68 1d4b s ARG 25 Ca 0.11 -2.54 -0.11 0.00 -0.52 0.00 0.00 55.73 52.68 1d4b s ARG 25 Cb -0.15 -3.64 -0.02 0.00 0.52 0.00 0.00 34.95 31.66 1d4b s ARG 25 CO -0.19 -1.16 0.18 1.03 0.02 0.00 0.00 175.30 175.18 1d4b s ARG 26 N -0.09 3.59 0.01 3.54 0.52 -1.26 -5.08 118.95 120.19 1d4b s ARG 26 Ca 0.17 -0.56 0.08 0.00 -0.52 0.00 0.00 55.73 54.89 1d4b s ARG 26 Cb -0.21 -3.63 -0.02 0.00 0.52 0.00 0.00 34.95 31.60 1d4b s ARG 26 CO -0.03 -0.33 -0.23 0.08 0.02 0.00 0.00 175.30 174.81 1d4b s VAL 27 N 1.69 1.85 0.00 3.52 1.01 -1.26 -5.13 120.40 122.08 1d4b s VAL 27 Ca 0.06 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 60.91 1d4b s VAL 27 Cb -0.17 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.65 1d4b s VAL 27 CO 0.08 0.41 0.00 0.79 0.00 0.00 0.00 175.10 176.38 1d4b n TRP 28 N 2.19 -0.41 -3.55 5.22 7.02 -1.26 -5.19 117.44 121.46 1d4b n TRP 28 Ca -0.16 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.22 1d4b n TRP 28 Cb 0.52 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.37 1d4b n TRP 28 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 1d4b s THR 29 N -2.41 0.00 0.00 -0.99 -1.32 -1.26 -5.18 115.64 104.49 1d4b s THR 29 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1d4b s THR 29 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1d4b s THR 29 CO 0.00 0.00 0.00 -0.24 -2.21 0.00 0.00 174.62 172.17 1d4b n SER 30 N 0.36 0.00 -3.48 8.08 2.88 -1.26 -5.01 113.62 115.19 1d4b n SER 30 Ca -0.10 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.17 1d4b n SER 30 Cb 0.59 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.97 1d4b n SER 30 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1d4b n ALA 31 N -3.00 4.01 -1.42 -1.46 0.00 -1.26 -5.08 120.51 112.30 1d4b n ALA 31 Ca 0.00 -4.75 -0.29 0.00 0.00 0.00 0.00 53.44 48.40 1d4b n ALA 31 Cb 0.00 -0.93 0.16 0.00 0.00 0.00 0.00 19.45 18.68 1d4b n ALA 31 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1d4b s PRO 32 N -2.37 0.72 0.60 0.00 0.04 -1.26 -5.02 135.00 127.72 1d4b s PRO 32 Ca 0.38 0.28 -0.16 0.00 0.04 0.00 0.00 61.00 61.54 1d4b s PRO 32 Cb 0.13 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.84 1d4b s PRO 32 CO -0.03 -2.48 1.07 -1.25 0.04 0.00 0.00 177.00 174.35 1d4b s PRO 33 N -5.23 3.22 -1.02 0.56 0.04 -1.26 -4.89 135.00 126.41 1d4b s PRO 33 Ca 0.65 1.28 -0.13 0.00 0.04 0.00 0.00 61.00 62.83 1d4b s PRO 33 Cb -0.15 -2.01 -0.08 0.00 0.04 0.00 0.00 34.50 32.30 1d4b s PRO 33 CO 0.55 -0.90 2.16 -0.35 0.04 0.00 0.00 177.00 178.49 1d4b n PRO 34 N -2.04 2.17 -3.99 0.56 -0.04 -1.26 -4.89 135.00 125.52 1d4b n PRO 34 Ca 0.09 -1.85 -0.35 0.00 -0.04 0.00 0.00 63.50 61.35 1d4b n PRO 34 Cb 0.52 -2.78 -0.10 0.00 -0.04 0.00 0.00 33.50 31.10 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 3.82 3.89 -0.05 0.54 0.74 -1.26 -4.14 119.66 123.20 1d4b s GLN 35 Ca 0.51 -0.38 -0.05 0.00 0.05 0.00 0.00 55.36 55.49 1d4b s GLN 35 Cb 0.13 -3.22 0.01 0.00 1.10 0.00 0.00 33.01 31.03 1d4b s GLN 35 CO 0.01 0.17 0.14 0.50 -0.55 0.00 0.00 175.29 175.56 1d4b s ARG 36 N 0.63 0.16 -0.76 1.67 6.06 -1.23 -4.95 118.95 120.53 1d4b s ARG 36 Ca 0.03 0.19 -0.26 0.00 -2.50 0.00 0.00 55.73 53.20 1d4b s ARG 36 Cb -0.13 0.07 -0.01 0.00 0.06 0.00 0.00 34.95 34.94 1d4b s ARG 36 CO 0.02 -0.02 1.74 -1.25 -2.50 0.00 0.00 175.30 173.29 1d4b s PRO 37 N 0.09 2.80 -0.19 5.12 0.04 -1.26 -1.95 135.00 139.66 1d4b s PRO 37 Ca -0.00 0.03 -0.09 0.00 0.04 0.00 0.00 61.00 60.98 1d4b s PRO 37 Cb -0.01 -4.64 -0.05 0.00 0.04 0.00 0.00 34.50 29.84 1d4b s PRO 37 CO 0.00 -2.76 0.10 -0.06 0.04 0.00 0.00 177.00 174.33 1d4b s PHE 38 N 8.35 3.36 -0.48 0.56 0.08 -1.03 -4.91 117.98 123.91 1d4b s PHE 38 Ca 0.60 0.24 -0.22 0.00 0.12 0.00 0.00 56.93 57.67 1d4b s PHE 38 Cb -0.09 -2.11 0.04 0.00 -0.57 0.00 0.00 43.02 40.29 1d4b s PHE 38 CO 0.11 0.27 0.75 0.50 -0.10 0.00 0.00 175.22 176.74 1d4b s ARG 39 N 0.25 3.29 0.00 0.44 3.52 -1.26 -3.08 118.95 122.12 1d4b s ARG 39 Ca 0.07 -0.38 -0.02 0.00 -0.13 0.00 0.00 55.73 55.26 1d4b s ARG 39 Cb -0.12 -4.00 -0.04 0.00 -1.56 0.00 0.00 34.95 29.23 1d4b s ARG 39 CO -0.01 -1.19 0.19 0.08 -0.81 0.00 0.00 175.30 173.56 1d4b s VAL 40 N 3.17 5.43 0.19 7.11 1.01 0.79 -4.34 120.40 133.76 1d4b s VAL 40 Ca 0.25 -0.20 -0.00 0.00 0.00 0.00 0.00 61.98 62.02 1d4b s VAL 40 Cb -0.14 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1d4b s VAL 40 CO 0.19 0.29 0.10 0.00 0.00 0.00 0.00 175.10 175.68 1d4b s ASP 42 N -3.16 4.61 0.00 0.00 -1.08 -0.52 -4.33 116.67 112.19 1d4b s ASP 42 Ca 0.34 -0.43 0.00 0.00 -0.52 0.00 0.00 52.55 51.95 1d4b s ASP 42 Cb 0.07 -0.05 0.00 0.00 -1.46 0.00 0.00 42.92 41.48 1d4b s ASP 42 CO 0.09 -1.67 0.13 1.57 0.52 0.00 0.00 175.17 175.81 1d4b n HIS 43 N -2.65 0.00 0.00 -5.34 -0.00 -1.26 -4.48 115.22 101.49 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 0.00 -0.32 1.57 3.00 -1.26 -4.94 118.16 115.92 1d4b n LYS 44 Ca 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 58.31 58.49 1d4b n LYS 44 Cb 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 35.03 34.35 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 -2.31 0.00 0.25 1.64 0.63 -1.26 -4.98 116.66 110.63 1d4b n ARG 45 Ca 0.00 -0.25 -0.17 0.00 -0.92 0.00 0.00 57.85 56.51 1d4b n ARG 45 Cb 0.00 -0.15 -0.09 0.00 0.45 0.00 0.00 32.46 32.67 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 4.68 0.00 -3.88 5.15 1.35 -1.92 -3.45 112.91 114.84 1d4b h THR 46 Ca 0.00 0.00 -0.26 0.00 -0.55 0.00 0.00 66.41 65.60 1d4b h THR 46 Cb 1.08 0.00 -0.18 0.00 -1.73 0.00 0.00 68.15 67.31 1d4b h THR 46 CO 0.00 0.00 -0.72 -0.63 -0.25 0.00 0.00 175.52 173.92 1d4b s ILE 47 N -5.70 0.66 -0.02 6.82 1.01 -1.26 -5.05 121.20 117.67 1d4b s ILE 47 Ca -0.17 -1.49 -0.01 0.00 0.00 0.00 0.00 60.65 58.98 1d4b s ILE 47 Cb 0.04 -1.14 0.02 0.00 0.01 0.00 0.00 42.46 41.39 1d4b s ILE 47 CO 0.57 -0.60 0.03 -0.60 0.00 0.00 0.00 174.94 174.35 1d4b s ARG 48 N -2.63 -0.00 0.01 2.79 3.52 -1.26 -1.45 118.95 119.93 1d4b s ARG 48 Ca 0.01 0.13 0.01 0.00 -0.13 0.00 0.00 55.73 55.75 1d4b s ARG 48 Cb -0.03 -0.13 -0.01 0.00 -1.56 0.00 0.00 34.95 33.22 1d4b s ARG 48 CO -0.02 -0.09 -0.04 0.21 -0.81 0.00 0.00 175.30 174.55 1d4b s LYS 49 N 0.61 0.31 -0.36 5.12 2.47 -0.19 -5.01 119.74 122.69 1d4b s LYS 49 Ca -0.05 -0.27 0.00 0.00 -1.56 0.00 0.00 55.97 54.09 1d4b s LYS 49 Cb -0.07 -0.22 0.14 0.00 -1.46 0.00 0.00 37.83 36.22 1d4b s LYS 49 CO -0.02 0.05 0.21 0.20 0.16 0.00 0.00 175.35 175.95 1d4b s GLY 50 N -0.47 0.94 0.20 5.54 0.00 -1.26 -0.15 107.32 112.11 1d4b s GLY 50 Ca -0.02 -1.90 0.02 0.00 0.00 0.00 0.00 44.72 42.82 1d4b s GLY 50 CO -0.00 2.01 0.01 1.08 0.00 0.00 0.00 173.10 176.20 1d4b s LEU 51 N 1.05 2.10 0.16 0.66 1.43 -1.18 -4.94 118.68 117.97 1d4b s LEU 51 Ca 0.17 -1.20 -0.30 0.00 -1.03 0.00 0.00 54.13 51.77 1d4b s LEU 51 Cb -0.23 -0.13 -0.07 0.00 0.03 0.00 0.00 46.19 45.80 1d4b s LEU 51 CO -0.02 -0.56 0.96 0.42 0.23 0.00 0.00 176.35 177.39 1d4b s THR 52 N -3.58 4.33 -0.01 5.49 -4.23 -1.26 -2.46 115.64 113.91 1d4b s THR 52 Ca 0.26 2.05 0.03 0.00 -1.18 0.00 0.00 61.69 62.86 1d4b s THR 52 Cb 0.06 -4.31 -0.00 0.00 1.34 0.00 0.00 72.50 69.59 1d4b s THR 52 CO 0.06 0.37 -0.10 0.00 -0.54 0.00 0.00 174.62 174.41 1d4b s ALA 53 N -0.38 0.91 -0.31 3.99 0.00 -0.82 -4.87 121.76 120.27 1d4b s ALA 53 Ca 0.45 -0.43 -0.01 0.00 0.00 0.00 0.00 51.96 51.97 1d4b s ALA 53 Cb -0.25 -0.27 0.10 0.00 0.00 0.00 0.00 23.12 22.71 1d4b s ALA 53 CO 0.31 0.20 0.10 0.00 0.00 0.00 0.00 175.76 176.37 1d4b s ALA 54 N -0.10 1.48 -0.07 0.00 0.00 -1.26 -3.54 121.76 118.27 1d4b s ALA 54 Ca 0.02 -1.64 -0.15 0.00 0.00 0.00 0.00 51.96 50.18 1d4b s ALA 54 Cb -0.06 -1.61 0.03 0.00 0.00 0.00 0.00 23.12 21.48 1d4b s ALA 54 CO -0.00 -1.67 0.36 0.99 0.00 0.00 0.00 175.76 175.44 1d4b s THR 55 N 1.64 0.03 0.00 0.00 2.01 -1.26 -5.00 115.64 113.05 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 -0.60 0.00 0.00 0.01 0.00 0.00 72.50 71.74 1d4b s THR 55 CO -0.26 -0.14 0.00 -1.14 -0.69 0.00 0.00 174.62 172.39 1d4b n ARG 56 N 1.89 0.00 -0.01 4.92 0.63 -1.26 -4.40 116.66 118.44 1d4b n ARG 56 Ca -0.18 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.58 1d4b n ARG 56 Cb 0.57 -0.23 -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 0.72 0.00 -0.14 7.27 -1.26 -3.94 117.38 119.05 1d4b n GLN 57 Ca 0.00 0.27 0.08 0.00 0.07 0.00 0.00 57.00 57.42 1d4b n GLN 57 Cb 0.00 -1.73 0.40 0.00 2.41 0.00 0.00 30.24 31.32 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 -3.33 0.16 -0.18 3.69 2.13 -1.26 -3.48 120.64 118.37 1d4b n GLU 58 Ca -0.27 0.15 -0.01 0.00 0.66 0.00 0.00 57.16 57.69 1d4b n GLU 58 Cb 1.05 -1.50 0.09 0.00 0.27 0.00 0.00 31.44 31.35 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 0.07 -1.39 4.31 6.46 -1.77 -0.47 115.31 122.51 1d4b h LEU 59 Ca 0.00 0.09 0.01 0.00 -0.12 0.00 0.00 57.88 57.86 1d4b h LEU 59 Cb 0.20 0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.21 1d4b h LEU 59 CO 0.00 0.06 0.41 0.25 -0.62 0.00 0.00 178.44 178.54 1d4b h LEU 60 N 0.29 0.71 -2.00 2.25 5.85 -1.84 -1.35 115.31 119.21 1d4b h LEU 60 Ca 0.28 -0.02 0.14 0.00 0.84 0.00 0.00 57.88 59.12 1d4b h LEU 60 Cb 0.37 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1d4b h LEU 60 CO -0.33 0.51 0.35 0.00 -0.34 0.00 0.00 178.44 178.63 1d4b h ALA 61 N 1.61 2.47 0.27 1.25 0.00 -1.30 -2.04 119.26 121.53 1d4b h ALA 61 Ca 0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1d4b h ALA 61 Cb -0.10 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1d4b h ALA 61 CO -0.05 -0.61 -0.13 -0.22 0.00 0.00 0.00 179.25 178.24 1d4b h LYS 62 N 0.00 -0.35 -0.98 0.00 3.11 -1.17 -1.74 116.57 115.44 1d4b h LYS 62 Ca 0.23 0.02 0.25 0.00 -2.81 0.00 0.00 60.65 58.34 1d4b h LYS 62 Cb 0.94 0.08 -0.07 0.00 -1.00 0.00 0.00 32.23 32.18 1d4b h LYS 62 CO -0.00 -0.09 0.65 0.00 -2.81 0.00 0.00 179.45 177.20 1d4b h ALA 63 N 0.06 2.37 0.05 5.00 0.00 -1.44 0.45 119.26 125.75 1d4b h ALA 63 Ca -0.04 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1d4b h ALA 63 Cb 0.43 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1d4b h ALA 63 CO 0.06 -0.71 -0.02 -0.07 0.00 0.00 0.00 179.25 178.51 1d4b h LEU 64 N 0.32 -0.05 -2.13 0.00 3.38 -1.39 -3.36 115.31 112.06 1d4b h LEU 64 Ca 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.48 1d4b h LEU 64 Cb 1.46 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.22 1d4b h LEU 64 CO -0.18 0.10 -0.04 -0.08 0.09 0.00 0.00 178.44 178.33 1d4b h GLU 65 N -0.35 0.00 -0.67 1.13 4.22 -1.19 -2.61 114.58 115.12 1d4b h GLU 65 Ca -0.01 0.00 0.12 0.00 0.08 0.00 0.00 59.36 59.56 1d4b h GLU 65 Cb 0.05 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.21 1d4b h GLU 65 CO 0.01 0.04 0.22 0.00 -2.18 0.00 0.00 179.01 177.09 1d4b h THR 66 N 0.00 0.66 0.00 0.32 1.03 -0.25 -3.31 112.91 111.37 1d4b h THR 66 Ca -0.00 -0.12 -0.38 0.00 -0.01 0.00 0.00 66.41 65.90 1d4b h THR 66 Cb 0.28 0.27 -0.06 0.00 -1.07 0.00 0.00 68.15 67.58 1d4b h THR 66 CO 0.01 0.07 -2.26 0.18 -0.01 0.00 0.00 175.52 173.50 1d4b n LEU 67 N -5.06 1.83 -3.78 0.00 4.77 -1.19 -5.02 117.00 108.56 1d4b n LEU 67 Ca 0.11 0.32 -0.13 0.00 -0.03 0.00 0.00 56.01 56.28 1d4b n LEU 67 Cb 0.36 -0.76 -0.12 0.00 -2.33 0.00 0.00 43.42 40.57 1d4b n LEU 67 CO 0.18 0.43 -0.12 -0.76 -1.33 0.00 0.00 177.39 175.79 1d4b s LEU 68 N -7.46 0.95 -0.15 2.23 1.43 -0.99 -5.13 118.68 109.55 1d4b s LEU 68 Ca -0.35 0.46 -0.23 0.00 -1.03 0.00 0.00 54.13 52.98 1d4b s LEU 68 Cb 0.13 0.74 -0.02 0.00 0.03 0.00 0.00 46.19 47.06 1d4b s LEU 68 CO 0.45 -0.10 0.71 -1.48 0.23 0.00 0.00 176.35 176.16 1d4b s LEU 69 N 0.45 4.20 0.02 1.79 0.05 -1.26 -3.67 118.68 120.26 1d4b s LEU 69 Ca -0.03 1.04 -0.00 0.00 0.05 0.00 0.00 54.13 55.19 1d4b s LEU 69 Cb -0.04 -3.05 -0.02 0.00 -2.05 0.00 0.00 46.19 41.03 1d4b s LEU 69 CO -0.02 -0.27 -0.03 0.21 -0.55 0.00 0.00 176.35 175.69 1d4b s ASN 70 N 1.07 0.27 0.09 1.48 3.84 -1.26 -5.03 114.94 115.40 1d4b s ASN 70 Ca 0.34 -0.56 -0.17 0.00 0.21 0.00 0.00 52.86 52.68 1d4b s ASN 70 Cb -0.16 0.12 -0.08 0.00 -0.55 0.00 0.00 41.25 40.57 1d4b s ASN 70 CO 0.13 -0.34 1.47 1.23 -2.79 0.00 0.00 177.10 176.80 1d4b h GLY 71 N 4.44 0.61 -6.41 1.21 0.00 -2.03 -3.43 103.07 97.45 1d4b h GLY 71 Ca -0.32 -0.53 -0.41 0.00 0.00 0.00 0.00 47.33 46.07 1d4b h GLY 71 CO 0.44 0.48 -0.77 0.14 0.00 0.00 0.00 176.54 176.83 1d4b s VAL 72 N -4.69 0.48 -0.06 4.60 1.01 -1.26 -5.14 120.40 115.35 1d4b s VAL 72 Ca -0.13 -0.05 -0.07 0.00 0.00 0.00 0.00 61.98 61.72 1d4b s VAL 72 Cb 0.08 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.94 1d4b s VAL 72 CO 0.78 0.23 0.19 -0.22 0.00 0.00 0.00 175.10 176.07 1d4b s LEU 73 N 1.16 1.31 0.11 3.92 1.98 -1.26 -5.01 118.68 120.88 1d4b s LEU 73 Ca -0.07 0.26 -0.13 0.00 -2.89 0.00 0.00 54.13 51.30 1d4b s LEU 73 Cb -0.14 0.68 -0.06 0.00 0.66 0.00 0.00 46.19 47.33 1d4b s LEU 73 CO -0.01 -0.14 0.48 0.42 -1.89 0.00 0.00 176.35 175.20 1d4b s THR 74 N -0.24 4.96 -0.18 3.68 -4.23 -1.24 -5.01 115.64 113.39 1d4b s THR 74 Ca -0.03 0.68 -0.08 0.00 -1.18 0.00 0.00 61.69 61.08 1d4b s THR 74 Cb -0.03 -3.70 -0.04 0.00 1.34 0.00 0.00 72.50 70.07 1d4b s THR 74 CO 0.01 0.29 0.07 -0.76 -0.54 0.00 0.00 174.62 173.69 1d4b s LEU 75 N -1.87 3.90 0.35 4.79 1.02 -0.86 -3.79 118.68 122.22 1d4b s LEU 75 Ca 0.35 0.13 0.04 0.00 0.02 0.00 0.00 54.13 54.67 1d4b s LEU 75 Cb -0.15 -1.98 -0.07 0.00 0.02 0.00 0.00 46.19 44.01 1d4b s LEU 75 CO 0.18 0.20 0.05 0.68 0.02 0.00 0.00 176.35 177.48 1d4b s VAL 76 N 0.22 1.36 -0.04 -1.59 -7.23 -1.23 -0.05 120.40 111.84 1d4b s VAL 76 Ca 0.05 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.20 1d4b s VAL 76 Cb -0.12 -2.83 0.03 0.00 0.56 0.00 0.00 36.38 34.02 1d4b s VAL 76 CO 0.00 0.00 0.07 -1.48 -0.31 0.00 0.00 175.10 173.38 1d4b s LEU 77 N -3.54 0.27 0.25 1.32 0.05 -1.14 -3.94 118.68 111.95 1d4b s LEU 77 Ca 0.36 0.11 0.24 0.00 0.05 0.00 0.00 54.13 54.90 1d4b s LEU 77 Cb 0.09 -0.06 0.95 0.00 -2.05 0.00 0.00 46.19 45.11 1d4b s LEU 77 CO 0.16 -0.23 1.73 1.21 -0.55 0.00 0.00 176.35 178.68 1d4b n GLU 78 N 5.11 0.22 -0.03 1.48 2.13 -1.26 -0.88 120.64 127.40 1d4b n GLU 78 Ca -0.08 0.37 -0.09 0.00 0.66 0.00 0.00 57.16 58.03 1d4b n GLU 78 Cb 0.50 -1.86 -0.03 0.00 0.27 0.00 0.00 31.44 30.32 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 0.05 0.00 5.31 4.81 -1.99 -3.35 114.58 119.41 1d4b h GLU 79 Ca 0.00 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1d4b h GLU 79 Cb 0.46 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 1d4b h GLU 79 CO 0.00 0.03 -1.10 -3.47 -0.73 0.00 0.00 179.01 173.74 1d4b n ASP 80 N -5.14 4.57 -0.74 1.04 2.03 -1.22 -5.06 116.55 112.03 1d4b n ASP 80 Ca -0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.28 1d4b n ASP 80 Cb 0.10 0.80 0.00 0.00 -0.72 0.00 0.00 41.12 41.31 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 2.65 0.88 2.94 0.27 0.00 -0.05 -5.10 105.19 106.78 1d4b n GLY 81 Ca -0.02 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.49 0.07 -0.01 2.61 2.01 -1.23 -4.98 115.64 111.61 1d4b s THR 82 Ca 0.00 -0.55 -0.09 0.00 0.31 0.00 0.00 61.69 61.37 1d4b s THR 82 Cb 0.00 -0.17 -0.05 0.00 0.01 0.00 0.00 72.50 72.29 1d4b s THR 82 CO 0.00 -0.30 0.29 0.00 -0.69 0.00 0.00 174.62 173.92 1d4b s ALA 83 N -0.88 3.81 0.00 7.40 0.00 -1.26 -2.87 121.76 127.96 1d4b s ALA 83 Ca -0.10 -0.49 -0.08 0.00 0.00 0.00 0.00 51.96 51.29 1d4b s ALA 83 Cb -0.06 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 20.93 1d4b s ALA 83 CO -0.01 0.60 0.16 0.08 0.00 0.00 0.00 175.76 176.59 1d4b s VAL 84 N -1.21 0.08 -0.02 0.00 1.01 0.93 -5.00 120.40 116.19 1d4b s VAL 84 Ca 0.25 -0.66 0.17 0.00 0.00 0.00 0.00 61.98 61.74 1d4b s VAL 84 Cb -0.14 -0.45 0.30 0.00 0.00 0.00 0.00 36.38 36.09 1d4b s VAL 84 CO 0.13 -0.36 1.12 -0.90 0.00 0.00 0.00 175.10 175.09 1d4b n ASP 85 N 1.44 0.80 -3.58 3.32 5.75 -1.26 -2.03 116.55 120.99 1d4b n ASP 85 Ca -0.23 -2.17 -0.14 0.00 -0.01 0.00 0.00 54.79 52.25 1d4b n ASP 85 Cb 0.56 -0.29 -0.06 0.00 -1.03 0.00 0.00 41.12 40.29 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 -1.83 0.75 0.49 -1.12 1.04 -1.26 -5.01 113.70 106.76 1d4b s SER 86 Ca 0.24 -1.43 0.31 0.00 0.48 0.00 0.00 55.95 55.56 1d4b s SER 86 Cb 0.27 0.57 1.71 0.00 0.10 0.00 0.00 66.02 68.68 1d4b s SER 86 CO -0.11 -1.14 1.96 -0.08 0.98 0.00 0.00 173.24 174.86 1d4b h GLU 87 N 2.24 0.00 0.00 4.02 4.57 -2.02 -1.83 114.58 121.56 1d4b h GLU 87 Ca -0.29 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 1d4b h GLU 87 Cb 1.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 1d4b h GLU 87 CO 0.41 0.00 0.00 -3.47 -1.18 0.00 0.00 179.01 174.77 1d4b n ASP 88 N -2.63 0.35 -0.06 1.04 2.03 -1.26 -3.38 116.55 112.65 1d4b n ASP 88 Ca -0.02 0.66 -0.07 0.00 0.52 0.00 0.00 54.79 55.87 1d4b n ASP 88 Cb 0.08 -0.70 -0.05 0.00 -0.72 0.00 0.00 41.12 39.72 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 -0.88 0.00 -0.67 3.57 -1.73 0.31 116.94 117.54 1d4b h PHE 89 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1d4b h PHE 89 Cb 0.02 0.41 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1d4b h PHE 89 CO 0.00 -0.26 0.00 1.19 -2.23 0.00 0.00 178.31 177.01 1d4b n PHE 90 N -4.09 0.50 0.13 0.41 3.72 -1.22 -2.10 117.46 114.82 1d4b n PHE 90 Ca -0.02 0.21 0.08 0.00 -0.05 0.00 0.00 57.45 57.67 1d4b n PHE 90 Cb 0.18 -0.84 0.04 0.00 -0.94 0.00 0.00 39.48 37.92 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 -0.69 -3.29 115.11 114.20 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 0.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.94 1d4b h GLN 91 CO 0.00 0.12 -0.40 -0.11 -1.93 0.00 0.00 178.83 176.51 1d4b n LEU 92 N -2.91 0.41 -4.34 -2.39 0.00 0.59 -4.88 117.00 103.48 1d4b n LEU 92 Ca -0.00 0.12 -0.23 0.00 0.00 0.00 0.00 56.01 55.90 1d4b n LEU 92 Cb 0.62 -0.30 -0.11 0.00 0.00 0.00 0.00 43.42 43.63 1d4b n LEU 92 CO 0.39 0.09 -0.49 -0.76 0.00 0.00 0.00 177.39 176.61 1d4b s LEU 93 N -3.08 2.42 1.26 -1.96 1.02 -1.22 -5.12 118.68 112.00 1d4b s LEU 93 Ca 0.11 -0.84 -0.18 0.00 0.02 0.00 0.00 54.13 53.24 1d4b s LEU 93 Cb 0.18 -0.87 0.31 0.00 0.02 0.00 0.00 46.19 45.82 1d4b s LEU 93 CO 0.67 -0.01 1.02 -0.70 0.02 0.00 0.00 176.35 177.34 1d4b s GLU 94 N -2.69 -1.70 0.06 1.70 2.56 -1.26 -4.83 118.70 112.54 1d4b s GLU 94 Ca 0.15 0.28 -0.31 0.00 0.00 0.00 0.00 54.97 55.10 1d4b s GLU 94 Cb -0.06 -1.51 -0.10 0.00 2.00 0.00 0.00 34.13 34.46 1d4b s GLU 94 CO 0.07 -4.10 1.93 -3.47 -0.56 0.00 0.00 175.26 169.13 1d4b n ASP 95 N -5.10 4.09 -3.51 -1.70 2.03 -1.26 -4.91 116.55 106.19 1d4b n ASP 95 Ca 0.09 0.93 -0.03 0.00 0.52 0.00 0.00 54.79 56.31 1d4b n ASP 95 Cb 0.58 -1.52 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 3.89 -0.06 -0.30 1.67 1.47 -1.26 -5.13 116.67 116.95 1d4b s ASP 96 Ca 0.87 -0.55 0.01 0.00 1.18 0.00 0.00 52.55 54.06 1d4b s ASP 96 Cb -0.46 0.47 0.09 0.00 -0.34 0.00 0.00 42.92 42.67 1d4b s ASP 96 CO 0.41 -0.91 0.04 -0.89 0.68 0.00 0.00 175.17 174.50 1d4b s THR 97 N -2.55 1.48 -0.02 2.11 2.01 -1.26 -5.05 115.64 112.36 1d4b s THR 97 Ca 0.18 -1.62 -0.01 0.00 0.31 0.00 0.00 61.69 60.55 1d4b s THR 97 Cb -0.02 -2.00 0.02 0.00 0.01 0.00 0.00 72.50 70.51 1d4b s THR 97 CO 0.04 -0.48 0.05 0.00 -0.69 0.00 0.00 174.62 173.53 1d4b s LEU 99 N 0.61 1.16 -0.08 0.00 0.20 -1.26 -4.97 118.68 114.34 1d4b s LEU 99 Ca -0.05 0.08 -0.05 0.00 0.69 0.00 0.00 54.13 54.80 1d4b s LEU 99 Cb -0.07 0.02 0.03 0.00 -0.43 0.00 0.00 46.19 45.74 1d4b s LEU 99 CO -0.02 -0.11 0.19 -0.32 -0.29 0.00 0.00 176.35 175.80 1d4b s MET 100 N 0.91 0.18 -0.16 1.98 1.75 -1.25 -4.24 119.30 118.47 1d4b s MET 100 Ca -0.07 0.37 -0.03 0.00 -1.25 0.00 0.00 55.69 54.71 1d4b s MET 100 Cb -0.11 -0.04 0.05 0.00 2.84 0.00 0.00 34.83 37.57 1d4b s MET 100 CO -0.03 -0.11 0.03 0.08 -0.65 0.00 0.00 175.02 174.34 1d4b s VAL 101 N 0.75 0.46 0.28 10.11 1.01 -1.26 -3.49 120.40 128.25 1d4b s VAL 101 Ca -0.05 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 1d4b s VAL 101 Cb -0.07 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 1d4b s VAL 101 CO -0.04 -0.08 0.40 -1.48 0.00 0.00 0.00 175.10 173.90 1d4b s LEU 102 N 1.90 0.83 0.47 3.92 2.34 -1.25 -4.96 118.68 121.93 1d4b s LEU 102 Ca 0.01 -1.28 -0.14 0.00 0.06 0.00 0.00 54.13 52.77 1d4b s LEU 102 Cb -0.16 1.31 -0.07 0.00 -0.56 0.00 0.00 46.19 46.71 1d4b s LEU 102 CO -0.07 -1.14 0.90 -1.58 -1.06 0.00 0.00 176.35 173.40 1d4b s GLN 103 N -3.64 3.90 1.12 1.48 0.74 -1.26 -3.62 119.66 118.38 1d4b s GLN 103 Ca 0.30 0.78 -0.12 0.00 0.05 0.00 0.00 55.36 56.37 1d4b s GLN 103 Cb 0.01 -2.23 0.26 0.00 1.10 0.00 0.00 33.01 32.15 1d4b s GLN 103 CO 0.15 -0.18 1.05 -1.54 -0.55 0.00 0.00 175.29 174.22 1d4b s SER 104 N -3.07 1.30 0.00 6.67 1.04 -1.26 -4.28 113.70 114.09 1d4b s SER 104 Ca 0.56 1.61 0.00 0.00 0.48 0.00 0.00 55.95 58.60 1d4b s SER 104 Cb -0.10 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.69 1d4b s SER 104 CO 0.31 -4.02 0.00 0.61 0.98 0.00 0.00 173.24 171.12 1d4b n GLY 105 N 0.64 1.11 3.07 7.32 0.00 -1.26 -5.08 105.19 110.98 1d4b n GLY 105 Ca 0.04 -0.43 -0.07 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.55 0.55 0.39 1.61 0.74 -1.26 -5.17 119.66 113.96 1d4b s GLN 106 Ca 0.00 -1.09 0.04 0.00 0.05 0.00 0.00 55.36 54.36 1d4b s GLN 106 Cb 0.00 0.19 -0.05 0.00 1.10 0.00 0.00 33.01 34.24 1d4b s GLN 106 CO 0.00 -0.10 0.05 -1.12 -0.55 0.00 0.00 175.29 173.57 1d4b s SER 107 N -2.61 3.08 0.66 6.67 0.01 -1.26 -5.15 113.70 115.11 1d4b s SER 107 Ca 0.02 -1.47 -0.09 0.00 1.31 0.00 0.00 55.95 55.73 1d4b s SER 107 Cb 0.04 0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.31 1d4b s SER 107 CO -0.08 -0.66 1.01 0.26 0.41 0.00 0.00 173.24 174.18 1d4b s TRP 108 N -3.07 3.25 -0.31 2.43 0.51 -1.26 -5.03 118.94 115.46 1d4b s TRP 108 Ca 0.30 0.82 -0.18 0.00 -2.12 0.00 0.00 56.10 54.92 1d4b s TRP 108 Cb 0.07 -2.95 -0.01 0.00 -0.81 0.00 0.00 33.47 29.76 1d4b s TRP 108 CO 0.14 -1.07 0.51 -1.12 -0.51 0.00 0.00 176.95 174.91 1d4b s SER 109 N -4.35 6.36 0.20 2.95 0.01 -1.26 -5.04 113.70 112.57 1d4b s SER 109 Ca 0.57 0.20 -0.30 0.00 1.31 0.00 0.00 55.95 57.73 1d4b s SER 109 Cb -0.11 -2.27 -0.08 0.00 0.21 0.00 0.00 66.02 63.77 1d4b s SER 109 CO 0.48 -0.40 1.20 -2.16 0.41 0.00 0.00 173.24 172.78 1d4b s PRO 110 N 2.36 4.49 -0.18 12.44 0.04 -1.26 -5.03 135.00 147.87 1d4b s PRO 110 Ca 0.20 1.90 0.01 0.00 0.04 0.00 0.00 61.00 63.14 1d4b s PRO 110 Cb -0.15 -3.22 0.03 0.00 0.04 0.00 0.00 34.50 31.20 1d4b s PRO 110 CO 0.12 -0.07 -0.12 0.99 0.04 0.00 0.00 177.00 177.95 1d4b s THR 111 N -0.21 1.64 0.07 1.26 2.01 -1.26 -5.11 115.64 114.04 1d4b s THR 111 Ca 0.52 -0.88 -0.23 0.00 0.31 0.00 0.00 61.69 61.41 1d4b s THR 111 Cb -0.33 -1.65 0.06 0.00 0.01 0.00 0.00 72.50 70.59 1d4b s THR 111 CO 0.38 0.28 0.55 0.00 -0.69 0.00 0.00 174.62 175.14 1d4b s ARG 112 N 1.42 1.10 0.00 4.92 1.70 -1.26 -5.07 118.95 121.77 1d4b s ARG 112 Ca 0.01 -0.27 0.00 0.00 -0.47 0.00 0.00 55.73 55.00 1d4b s ARG 112 Cb -0.15 0.51 0.00 0.00 -0.57 0.00 0.00 34.95 34.74 1d4b s ARG 112 CO -0.09 -0.42 0.00 0.45 -1.08 0.00 0.00 175.30 174.16 1d4b n SER 113 N 0.22 0.00 0.00 -2.89 2.88 -1.26 -5.10 113.62 107.47 1d4b n SER 113 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1d4b n SER 113 Cb 0.61 0.14 0.00 0.00 -0.75 0.00 0.00 64.21 64.21 1d4b n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1d4b n GLY 114 N -0.34 0.64 3.43 0.46 0.00 -1.26 -5.00 105.19 103.12 1d4b n GLY 114 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 1.61 4.37 -0.23 1.61 1.01 -1.26 -4.95 120.40 122.56 1d4b s VAL 115 Ca 0.00 -0.32 0.13 0.00 0.00 0.00 0.00 61.98 61.79 1d4b s VAL 115 Cb 0.00 -3.14 0.48 0.00 0.00 0.00 0.00 36.38 33.72 1d4b s VAL 115 CO 0.00 0.21 1.39 0.18 0.00 0.00 0.00 175.10 176.88 1d4b n LEU 116 N 4.94 3.69 -4.63 3.92 7.99 -1.26 -5.00 117.00 126.65 1d4b n LEU 116 Ca -0.15 -3.50 -0.31 0.00 -0.01 0.00 0.00 56.01 52.04 1d4b n LEU 116 Cb 0.50 -0.57 -0.10 0.00 -0.11 0.00 0.00 43.42 43.14 1d4b n LEU 116 CO 0.32 1.04 -0.37 -1.00 -1.51 0.00 0.00 177.39 175.87 1d4b s HIS 117 N -3.09 2.92 -0.44 -1.77 3.76 -1.26 -5.07 115.29 110.34 1d4b s HIS 117 Ca 0.42 -0.03 -0.27 0.00 -0.15 0.00 0.00 55.06 55.02 1d4b s HIS 117 Cb 0.37 -1.58 0.03 0.00 1.11 0.00 0.00 32.58 32.50 1d4b s HIS 117 CO 0.02 0.42 1.03 -1.01 -0.85 0.00 0.00 174.74 174.34 1d4b s HIS 118 N -1.11 2.93 0.25 1.40 3.76 -1.26 -4.97 115.29 116.30 1d4b s HIS 118 Ca 0.20 0.67 -0.08 0.00 -0.15 0.00 0.00 55.06 55.70 1d4b s HIS 118 Cb -0.11 -4.08 0.03 0.00 1.11 0.00 0.00 32.58 29.53 1d4b s HIS 118 CO 0.11 -1.09 0.48 1.58 -0.85 0.00 0.00 174.74 174.97 1d4b n HIS 119 N 7.35 -1.77 -0.47 1.40 -0.00 -1.26 -5.17 115.22 115.30 1d4b n HIS 119 Ca 0.09 -1.25 0.00 0.00 0.46 0.00 0.00 57.72 57.02 1d4b n HIS 119 Cb 0.48 0.56 0.00 0.00 -0.12 0.00 0.00 29.99 30.92 1d4b n HIS 119 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1d4b n HIS 120 N -0.35 -2.59 -3.00 1.57 8.25 -1.26 -5.01 115.22 112.83 1d4b n HIS 120 Ca -0.05 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.19 1d4b n HIS 120 Cb 0.38 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.46 1d4b n HIS 120 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1d4b n HIS 121 N -1.95 2.11 1.94 4.41 -0.00 -1.26 -5.19 115.22 115.28 1d4b n HIS 121 Ca 0.00 -3.79 0.16 0.00 0.46 0.00 0.00 57.72 54.55 1d4b n HIS 121 Cb 0.00 -0.43 0.92 0.00 -0.12 0.00 0.00 29.99 30.37 1d4b n HIS 121 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38