#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 0.58 -0.01 2.12 2.02 -1.26 -5.00 118.70 117.15 1d4b s GLU 2 Ca 0.00 -0.45 0.07 0.00 0.02 0.00 0.00 54.97 54.61 1d4b s GLU 2 Cb 0.00 -0.49 -0.24 0.00 0.10 0.00 0.00 34.13 33.51 1d4b s GLU 2 CO 0.00 -1.14 0.77 1.88 0.02 0.00 0.00 175.26 176.80 1d4b h TYR 3 N 7.44 0.12 -3.58 1.61 0.05 -2.15 -3.46 116.97 117.01 1d4b h TYR 3 Ca -0.00 -0.09 -0.53 0.00 0.05 0.00 0.00 58.73 58.17 1d4b h TYR 3 Cb 1.09 -0.00 0.06 0.00 1.01 0.00 0.00 36.73 38.89 1d4b h TYR 3 CO 0.28 1.14 0.71 -0.51 -1.05 0.00 0.00 178.16 178.73 1d4b s LEU 4 N -6.44 4.40 -0.37 3.88 1.43 -1.26 -4.93 118.68 115.39 1d4b s LEU 4 Ca -0.06 2.67 0.12 0.00 -1.03 0.00 0.00 54.13 55.83 1d4b s LEU 4 Cb 0.08 -3.63 0.41 0.00 0.03 0.00 0.00 46.19 43.08 1d4b s LEU 4 CO 0.82 -0.64 1.27 -1.20 0.23 0.00 0.00 176.35 176.83 1d4b n SER 5 N 1.72 -0.94 -3.60 2.29 7.64 -1.26 -5.10 113.62 114.38 1d4b n SER 5 Ca 0.04 -2.48 -0.02 0.00 1.01 0.00 0.00 58.87 57.42 1d4b n SER 5 Cb 0.41 0.56 -0.05 0.00 -1.01 0.00 0.00 64.21 64.12 1d4b n SER 5 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1d4b s ALA 6 N -0.75 -2.17 0.29 -0.43 0.00 -1.26 -5.07 121.76 112.37 1d4b s ALA 6 Ca 0.22 2.29 0.00 0.00 0.00 0.00 0.00 51.96 54.47 1d4b s ALA 6 Cb 0.42 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.80 1d4b s ALA 6 CO -0.06 -0.72 0.00 -0.11 0.00 0.00 0.00 175.76 174.86 1d4b n LEU 7 N 4.86 -0.21 -4.50 0.00 0.00 -1.26 -5.12 117.00 110.77 1d4b n LEU 7 Ca -0.14 0.49 -0.28 0.00 0.00 0.00 0.00 56.01 56.07 1d4b n LEU 7 Cb 0.53 0.44 -0.11 0.00 0.00 0.00 0.00 43.42 44.28 1d4b n LEU 7 CO -0.03 -0.78 -0.48 0.54 0.00 0.00 0.00 177.39 176.64 1d4b s ASN 8 N -4.93 3.89 -0.05 1.96 4.22 -1.26 -5.05 114.94 113.72 1d4b s ASN 8 Ca 0.00 -0.61 -0.26 0.00 -2.14 0.00 0.00 52.86 49.85 1d4b s ASN 8 Cb 0.00 -0.54 -0.22 0.00 1.28 0.00 0.00 41.25 41.78 1d4b s ASN 8 CO 0.00 0.15 1.11 1.55 -2.04 0.00 0.00 177.10 177.87 1d4b h PRO 9 N 3.46 0.07 0.00 3.55 0.13 -2.04 -3.49 132.00 133.66 1d4b h PRO 9 Ca -0.49 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1d4b h PRO 9 Cb 1.18 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1d4b h PRO 9 CO 0.48 0.71 0.00 -1.13 -0.23 0.00 0.00 178.00 177.83 1d4b n SER 10 N -4.70 0.00 -4.64 1.44 3.41 -1.26 -5.14 113.62 102.72 1d4b n SER 10 Ca -0.09 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.16 1d4b n SER 10 Cb 0.36 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.39 1d4b n SER 10 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1d4b n ASP 11 N 0.00 0.94 -3.16 4.04 8.00 -1.26 -4.90 116.55 120.20 1d4b n ASP 11 Ca 0.00 0.74 -0.40 0.00 0.71 0.00 0.00 54.79 55.85 1d4b n ASP 11 Cb 0.00 -1.44 0.03 0.00 -0.02 0.00 0.00 41.12 39.69 1d4b n ASP 11 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1d4b n LEU 12 N -1.48 7.33 -4.59 0.64 7.94 -1.26 -4.97 117.00 120.61 1d4b n LEU 12 Ca 0.14 -5.06 -0.43 0.00 -1.11 0.00 0.00 56.01 49.55 1d4b n LEU 12 Cb 0.49 -1.08 -0.02 0.00 0.53 0.00 0.00 43.42 43.34 1d4b n LEU 12 CO 0.48 1.89 1.10 -0.76 -1.11 0.00 0.00 177.39 178.99 1d4b s LEU 13 N -4.14 3.53 -0.07 -1.96 2.01 -1.26 -4.99 118.68 111.80 1d4b s LEU 13 Ca 0.47 0.35 0.01 0.00 0.01 0.00 0.00 54.13 54.97 1d4b s LEU 13 Cb 0.35 -3.35 0.02 0.00 0.01 0.00 0.00 46.19 43.22 1d4b s LEU 13 CO -0.30 -1.42 -0.06 -0.13 1.01 0.00 0.00 176.35 175.44 1d4b s ARG 14 N 4.84 1.15 -0.40 1.70 0.52 -1.26 -5.08 118.95 120.41 1d4b s ARG 14 Ca 0.48 -0.17 0.07 0.00 -0.52 0.00 0.00 55.73 55.59 1d4b s ARG 14 Cb -0.08 -1.16 0.18 0.00 0.52 0.00 0.00 34.95 34.41 1d4b s ARG 14 CO 0.29 -0.14 0.66 -1.54 0.02 0.00 0.00 175.30 174.59 1d4b s SER 15 N 1.21 -1.46 -0.58 0.23 1.04 -1.26 -5.10 113.70 107.78 1d4b s SER 15 Ca -0.06 -0.68 -0.18 0.00 0.48 0.00 0.00 55.95 55.51 1d4b s SER 15 Cb -0.14 1.87 0.10 0.00 0.10 0.00 0.00 66.02 67.96 1d4b s SER 15 CO -0.02 -0.17 0.66 -0.69 0.98 0.00 0.00 173.24 174.00 1d4b s VAL 16 N 1.93 4.89 0.45 5.02 1.01 -1.26 -5.05 120.40 127.39 1d4b s VAL 16 Ca 0.16 -1.03 -0.15 0.00 0.00 0.00 0.00 61.98 60.95 1d4b s VAL 16 Cb -0.04 -4.45 -0.08 0.00 0.00 0.00 0.00 36.38 31.82 1d4b s VAL 16 CO -0.09 -1.06 0.89 -0.55 0.00 0.00 0.00 175.10 174.29 1d4b s SER 17 N 3.54 6.63 0.30 3.32 0.15 -1.26 -5.08 113.70 121.29 1d4b s SER 17 Ca 0.10 1.41 0.10 0.00 0.70 0.00 0.00 55.95 58.26 1d4b s SER 17 Cb -0.25 -2.44 -0.05 0.00 -1.71 0.00 0.00 66.02 61.58 1d4b s SER 17 CO 0.06 -0.47 -0.05 0.54 1.20 0.00 0.00 173.24 174.53 1d4b s ASN 18 N -2.95 4.15 0.00 5.45 2.20 -1.26 -4.96 114.94 117.57 1d4b s ASN 18 Ca 0.56 -0.89 0.00 0.00 -0.94 0.00 0.00 52.86 51.59 1d4b s ASN 18 Cb -0.10 -0.58 0.00 0.00 -2.00 0.00 0.00 41.25 38.57 1d4b s ASN 18 CO 0.28 -0.09 0.00 0.00 -2.94 0.00 0.00 177.10 174.36 1d4b n ILE 19 N -0.85 0.00 -1.79 0.54 3.06 -1.26 -5.04 119.36 114.02 1d4b n ILE 19 Ca -0.05 0.00 -0.35 0.00 -2.50 0.00 0.00 62.75 59.85 1d4b n ILE 19 Cb 0.61 0.00 -0.05 0.00 0.54 0.00 0.00 39.64 40.73 1d4b n ILE 19 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 1d4b n SER 20 N 0.00 3.08 -4.54 9.51 3.41 -1.26 -4.90 113.62 118.92 1d4b n SER 20 Ca 0.00 -2.72 -0.37 0.00 -0.26 0.00 0.00 58.87 55.52 1d4b n SER 20 Cb 0.00 -1.52 -0.11 0.00 -0.26 0.00 0.00 64.21 62.31 1d4b n SER 20 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1d4b s SER 21 N 5.66 5.68 -0.80 4.04 0.15 -1.26 -5.00 113.70 122.18 1d4b s SER 21 Ca 0.63 -0.08 0.02 0.00 0.70 0.00 0.00 55.95 57.22 1d4b s SER 21 Cb 0.05 -2.04 0.34 0.00 -1.71 0.00 0.00 66.02 62.66 1d4b s SER 21 CO 0.12 -0.04 1.43 1.21 1.20 0.00 0.00 173.24 177.16 1d4b n GLU 22 N 4.95 4.25 -2.89 5.44 2.13 -1.26 -4.81 120.64 128.44 1d4b n GLU 22 Ca -0.15 -4.68 -0.26 0.00 0.66 0.00 0.00 57.16 52.74 1d4b n GLU 22 Cb 0.52 -2.35 -0.03 0.00 0.27 0.00 0.00 31.44 29.85 1d4b n GLU 22 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1d4b n PHE 23 N -0.19 3.53 0.00 4.31 7.35 -1.26 -4.89 117.46 126.31 1d4b n PHE 23 Ca 0.40 -3.83 0.00 0.00 -0.76 0.00 0.00 57.45 53.27 1d4b n PHE 23 Cb 0.34 -0.42 0.00 0.00 0.35 0.00 0.00 39.48 39.75 1d4b n PHE 23 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1d4b n GLY 24 N -0.23 -0.97 1.51 7.13 0.00 -1.26 -5.04 105.19 106.32 1d4b n GLY 24 Ca 0.31 0.64 -0.11 0.00 0.00 0.00 0.00 46.02 46.87 1d4b n GLY 24 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1d4b n ARG 25 N 0.00 1.99 -4.39 1.61 0.63 -1.26 -4.99 116.66 110.25 1d4b n ARG 25 Ca 0.00 -3.17 -0.24 0.00 -0.92 0.00 0.00 57.85 53.52 1d4b n ARG 25 Cb 0.00 -1.94 -0.11 0.00 0.45 0.00 0.00 32.46 30.86 1d4b n ARG 25 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 1d4b s ARG 26 N -3.29 1.43 -0.38 -0.14 1.70 -1.26 -5.10 118.95 111.90 1d4b s ARG 26 Ca 0.49 -1.50 0.02 0.00 -0.47 0.00 0.00 55.73 54.27 1d4b s ARG 26 Cb 0.43 -1.61 0.16 0.00 -0.57 0.00 0.00 34.95 33.36 1d4b s ARG 26 CO 0.03 0.33 0.28 0.54 -1.08 0.00 0.00 175.30 175.40 1d4b s VAL 27 N -1.93 0.24 0.03 4.99 0.11 -1.26 -4.98 120.40 117.59 1d4b s VAL 27 Ca 0.19 -2.21 0.00 0.00 -2.93 0.00 0.00 61.98 57.04 1d4b s VAL 27 Cb -0.07 -1.18 0.00 0.00 -1.53 0.00 0.00 36.38 33.60 1d4b s VAL 27 CO 0.09 -1.12 0.00 0.79 -3.33 0.00 0.00 175.10 171.53 1d4b n TRP 28 N 3.40 -0.09 -2.77 1.54 7.02 -1.26 -4.90 117.44 120.38 1d4b n TRP 28 Ca 0.22 0.02 -0.44 0.00 -1.02 0.00 0.00 57.50 56.28 1d4b n TRP 28 Cb 0.43 0.07 0.00 0.00 -2.42 0.00 0.00 31.31 29.39 1d4b n TRP 28 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1d4b n THR 29 N -2.74 4.14 0.00 -0.99 -2.24 -1.26 -4.32 114.28 106.87 1d4b n THR 29 Ca 0.00 -4.47 0.00 0.00 -2.27 0.00 0.00 64.05 57.31 1d4b n THR 29 Cb 0.00 -2.43 0.00 0.00 -2.10 0.00 0.00 70.33 65.80 1d4b n THR 29 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1d4b n SER 30 N 6.50 0.00 -4.83 3.42 2.88 -1.26 -5.10 113.62 115.23 1d4b n SER 30 Ca 0.41 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.62 1d4b n SER 30 Cb 0.43 0.09 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 1d4b n SER 30 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1d4b s ALA 31 N -1.68 3.25 0.72 -1.46 0.00 -1.26 -5.05 121.76 116.28 1d4b s ALA 31 Ca 0.00 0.20 -0.11 0.00 0.00 0.00 0.00 51.96 52.05 1d4b s ALA 31 Cb 0.00 -2.92 0.02 0.00 0.00 0.00 0.00 23.12 20.23 1d4b s ALA 31 CO 0.00 0.26 1.07 -1.25 0.00 0.00 0.00 175.76 175.84 1d4b s PRO 32 N -2.80 2.72 0.50 0.00 0.04 -1.26 -5.02 135.00 129.20 1d4b s PRO 32 Ca 0.54 0.97 -0.20 0.00 0.04 0.00 0.00 61.00 62.35 1d4b s PRO 32 Cb -0.12 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.38 1d4b s PRO 32 CO 0.17 -1.25 1.07 -1.25 0.04 0.00 0.00 177.00 175.78 1d4b s PRO 33 N -5.03 3.65 -1.02 0.56 0.04 -1.26 -4.90 135.00 127.04 1d4b s PRO 33 Ca 0.59 1.46 -0.16 0.00 0.04 0.00 0.00 61.00 62.93 1d4b s PRO 33 Cb -0.15 -2.07 -0.09 0.00 0.04 0.00 0.00 34.50 32.23 1d4b s PRO 33 CO 0.55 -0.58 2.10 -0.35 0.04 0.00 0.00 177.00 178.76 1d4b n PRO 34 N -1.06 2.07 -1.87 0.56 -0.04 -1.26 -4.94 135.00 128.46 1d4b n PRO 34 Ca 0.10 -1.98 -0.41 0.00 -0.04 0.00 0.00 63.50 61.17 1d4b n PRO 34 Cb 0.52 -2.91 -0.01 0.00 -0.04 0.00 0.00 33.50 31.06 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 4.09 4.16 -0.03 0.54 0.74 -1.26 -4.84 119.66 123.07 1d4b s GLN 35 Ca 0.52 2.50 -0.01 0.00 0.05 0.00 0.00 55.36 58.42 1d4b s GLN 35 Cb 0.14 -2.99 0.02 0.00 1.10 0.00 0.00 33.01 31.28 1d4b s GLN 35 CO 0.03 -0.46 0.05 0.50 -0.55 0.00 0.00 175.29 174.86 1d4b s ARG 36 N -2.04 0.02 -0.66 1.67 6.06 -1.24 -4.98 118.95 117.78 1d4b s ARG 36 Ca 0.52 0.17 -0.27 0.00 -2.50 0.00 0.00 55.73 53.65 1d4b s ARG 36 Cb -0.45 -0.12 -0.00 0.00 0.06 0.00 0.00 34.95 34.43 1d4b s ARG 36 CO 0.61 -0.10 1.64 -1.25 -2.50 0.00 0.00 175.30 173.70 1d4b s PRO 37 N 0.65 2.84 -0.54 5.12 0.04 -1.26 -2.22 135.00 139.63 1d4b s PRO 37 Ca -0.05 0.29 -0.22 0.00 0.04 0.00 0.00 61.00 61.06 1d4b s PRO 37 Cb -0.07 -4.31 0.05 0.00 0.04 0.00 0.00 34.50 30.21 1d4b s PRO 37 CO -0.02 -2.51 0.81 -0.06 0.04 0.00 0.00 177.00 175.26 1d4b s PHE 38 N 7.81 2.89 -0.41 0.56 0.08 -0.80 -4.87 117.98 123.24 1d4b s PHE 38 Ca 0.55 -0.27 -0.27 0.00 0.12 0.00 0.00 56.93 57.06 1d4b s PHE 38 Cb -0.11 -3.86 -0.05 0.00 -0.57 0.00 0.00 43.02 38.43 1d4b s PHE 38 CO 0.19 -1.23 2.17 0.50 -0.10 0.00 0.00 175.22 176.74 1d4b s ARG 39 N 3.39 2.66 0.09 0.44 3.52 -1.26 -3.45 118.95 124.34 1d4b s ARG 39 Ca 0.23 1.45 0.01 0.00 -0.13 0.00 0.00 55.73 57.30 1d4b s ARG 39 Cb -0.16 -4.43 -0.04 0.00 -1.56 0.00 0.00 34.95 28.76 1d4b s ARG 39 CO 0.16 -2.65 0.20 0.08 -0.81 0.00 0.00 175.30 172.27 1d4b s VAL 40 N 9.80 5.16 0.13 7.11 1.01 -1.01 -4.16 120.40 138.44 1d4b s VAL 40 Ca 0.91 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 62.30 1d4b s VAL 40 Cb -0.22 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1d4b s VAL 40 CO 0.29 0.07 0.05 0.00 0.00 0.00 0.00 175.10 175.50 1d4b s ASP 42 N -3.05 5.09 0.00 0.00 -1.08 0.15 -4.27 116.67 113.51 1d4b s ASP 42 Ca 0.23 -0.86 0.00 0.00 -0.52 0.00 0.00 52.55 51.40 1d4b s ASP 42 Cb 0.07 0.16 0.00 0.00 -1.46 0.00 0.00 42.92 41.70 1d4b s ASP 42 CO 0.01 -1.20 0.14 1.57 0.52 0.00 0.00 175.17 176.21 1d4b n HIS 43 N -2.08 0.00 -0.00 -5.34 -0.00 -1.26 -4.42 115.22 102.11 1d4b n HIS 43 Ca 0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 57.72 57.83 1d4b n HIS 43 Cb 0.62 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.61 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 -0.33 0.01 -0.29 1.57 3.00 -1.26 -4.94 118.16 115.92 1d4b n LYS 44 Ca 0.00 0.20 0.00 0.00 -0.00 0.00 0.00 58.31 58.51 1d4b n LYS 44 Cb 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 35.03 34.32 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 -0.09 1.64 0.63 -1.26 -4.95 116.66 110.29 1d4b n ARG 45 Ca -0.00 -0.24 -0.07 0.00 -0.92 0.00 0.00 57.85 56.62 1d4b n ARG 45 Cb 0.01 -0.15 0.00 0.00 0.45 0.00 0.00 32.46 32.76 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 4.51 0.92 -3.28 5.15 1.35 -1.92 -3.42 112.91 116.22 1d4b h THR 46 Ca 0.00 -0.09 -0.35 0.00 -0.55 0.00 0.00 66.41 65.43 1d4b h THR 46 Cb 1.07 0.65 -0.38 0.00 -1.73 0.00 0.00 68.15 67.76 1d4b h THR 46 CO 0.00 0.05 -0.72 -0.63 -0.25 0.00 0.00 175.52 173.97 1d4b s ILE 47 N -6.17 -0.13 -0.32 6.82 1.01 -1.26 -5.02 121.20 116.14 1d4b s ILE 47 Ca -0.13 0.40 -0.02 0.00 0.00 0.00 0.00 60.65 60.90 1d4b s ILE 47 Cb 0.11 -0.17 0.12 0.00 0.01 0.00 0.00 42.46 42.53 1d4b s ILE 47 CO 0.70 0.17 0.18 -0.60 0.00 0.00 0.00 174.94 175.39 1d4b s ARG 48 N 2.11 0.36 0.02 2.79 3.52 -1.26 0.33 118.95 126.82 1d4b s ARG 48 Ca 0.04 -0.85 -0.01 0.00 -0.13 0.00 0.00 55.73 54.78 1d4b s ARG 48 Cb -0.12 -1.17 -0.02 0.00 -1.56 0.00 0.00 34.95 32.07 1d4b s ARG 48 CO -0.04 -1.11 -0.02 0.21 -0.81 0.00 0.00 175.30 173.54 1d4b s LYS 49 N 1.66 0.35 -0.41 5.12 2.47 -0.99 -5.00 119.74 122.95 1d4b s LYS 49 Ca 0.13 -0.65 -0.15 0.00 -1.56 0.00 0.00 55.97 53.75 1d4b s LYS 49 Cb -0.19 0.12 0.02 0.00 -1.46 0.00 0.00 37.83 36.32 1d4b s LYS 49 CO -0.20 -0.06 0.29 0.20 0.16 0.00 0.00 175.35 175.75 1d4b s GLY 50 N -1.57 2.00 0.05 5.54 0.00 -1.26 -2.39 107.32 109.68 1d4b s GLY 50 Ca -0.14 -1.70 0.02 0.00 0.00 0.00 0.00 44.72 42.90 1d4b s GLY 50 CO -0.02 0.91 0.05 1.08 0.00 0.00 0.00 173.10 175.13 1d4b s LEU 51 N 1.68 3.72 -0.27 0.66 2.01 -1.22 -4.84 118.68 120.41 1d4b s LEU 51 Ca 0.05 0.00 -0.28 0.00 0.01 0.00 0.00 54.13 53.91 1d4b s LEU 51 Cb -0.19 -2.30 0.01 0.00 0.01 0.00 0.00 46.19 43.72 1d4b s LEU 51 CO 0.10 0.22 1.01 0.42 1.01 0.00 0.00 176.35 179.10 1d4b s THR 52 N -1.27 4.65 -0.00 5.49 -4.23 -1.26 -1.91 115.64 117.10 1d4b s THR 52 Ca 0.25 1.79 0.01 0.00 -1.18 0.00 0.00 61.69 62.56 1d4b s THR 52 Cb -0.12 -4.31 0.00 0.00 1.34 0.00 0.00 72.50 69.41 1d4b s THR 52 CO 0.17 -0.28 -0.02 0.00 -0.54 0.00 0.00 174.62 173.95 1d4b s ALA 53 N 3.30 0.17 -0.31 3.99 0.00 -0.94 -4.90 121.76 123.06 1d4b s ALA 53 Ca 0.42 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.35 1d4b s ALA 53 Cb -0.14 -0.07 0.10 0.00 0.00 0.00 0.00 23.12 23.00 1d4b s ALA 53 CO 0.10 0.02 0.08 0.00 0.00 0.00 0.00 175.76 175.96 1d4b s ALA 54 N 0.10 1.93 -0.03 0.00 0.00 -1.26 -3.70 121.76 118.80 1d4b s ALA 54 Ca -0.01 -1.89 -0.19 0.00 0.00 0.00 0.00 51.96 49.87 1d4b s ALA 54 Cb -0.02 -1.71 0.03 0.00 0.00 0.00 0.00 23.12 21.42 1d4b s ALA 54 CO -0.00 -1.65 0.40 0.99 0.00 0.00 0.00 175.76 175.50 1d4b s THR 55 N 1.41 0.04 0.00 0.00 2.01 -1.26 -5.01 115.64 112.84 1d4b s THR 55 Ca 0.09 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 61.75 1d4b s THR 55 Cb -0.18 -0.70 0.00 0.00 0.01 0.00 0.00 72.50 71.63 1d4b s THR 55 CO -0.19 -0.19 0.00 -1.14 -0.69 0.00 0.00 174.62 172.41 1d4b n ARG 56 N 1.26 0.00 0.00 4.92 0.63 -1.26 -4.38 116.66 117.83 1d4b n ARG 56 Ca -0.21 0.04 -0.20 0.00 -0.92 0.00 0.00 57.85 56.56 1d4b n ARG 56 Cb 0.56 -0.32 -0.14 0.00 0.45 0.00 0.00 32.46 33.01 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 -1.25 0.75 0.00 -0.14 7.27 -1.26 -3.97 117.38 118.78 1d4b n GLN 57 Ca 0.00 0.26 0.10 0.00 0.07 0.00 0.00 57.00 57.43 1d4b n GLN 57 Cb 0.00 -1.72 0.53 0.00 2.41 0.00 0.00 30.24 31.46 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 -3.44 0.36 -0.21 3.69 2.13 -1.26 -3.43 120.64 118.47 1d4b n GLU 58 Ca -0.31 0.08 0.11 0.00 0.66 0.00 0.00 57.16 57.71 1d4b n GLU 58 Cb 1.05 -1.50 0.41 0.00 0.27 0.00 0.00 31.44 31.67 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 0.57 -0.83 4.31 5.85 -1.76 -0.81 115.31 122.63 1d4b h LEU 59 Ca 0.00 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 1d4b h LEU 59 Cb 0.15 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1d4b h LEU 59 CO 0.00 0.32 0.15 0.25 -0.34 0.00 0.00 178.44 178.82 1d4b h LEU 60 N 0.62 0.97 -2.18 2.25 5.85 -1.84 -2.07 115.31 118.90 1d4b h LEU 60 Ca 0.38 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.96 1d4b h LEU 60 Cb 0.63 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1d4b h LEU 60 CO -0.15 0.93 0.28 0.00 -0.34 0.00 0.00 178.44 179.17 1d4b h ALA 61 N 1.19 1.67 -0.01 1.25 0.00 -1.38 -1.62 119.26 120.35 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 0.35 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1d4b h ALA 61 CO 0.00 -0.37 -0.02 -0.22 0.00 0.00 0.00 179.25 178.64 1d4b h LYS 62 N 0.00 0.04 -0.86 0.00 3.11 -1.39 -2.28 116.57 115.19 1d4b h LYS 62 Ca 0.08 -0.02 0.15 0.00 -2.81 0.00 0.00 60.65 58.04 1d4b h LYS 62 Cb 0.64 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 31.81 1d4b h LYS 62 CO -0.00 0.57 0.56 0.00 -2.81 0.00 0.00 179.45 177.76 1d4b h ALA 63 N 0.47 1.91 0.01 5.00 0.00 -1.37 0.53 119.26 125.81 1d4b h ALA 63 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1d4b h ALA 63 Cb 0.57 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1d4b h ALA 63 CO 0.00 -0.14 -0.00 -0.07 0.00 0.00 0.00 179.25 179.04 1d4b h LEU 64 N 0.62 -0.01 -1.36 0.00 3.38 -1.52 -3.35 115.31 113.06 1d4b h LEU 64 Ca 0.43 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.57 1d4b h LEU 64 Cb 0.76 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.44 1d4b h LEU 64 CO -0.18 0.02 0.58 -0.08 0.09 0.00 0.00 178.44 178.87 1d4b h GLU 65 N -0.07 0.55 -0.74 1.13 4.22 -1.20 0.67 114.58 119.14 1d4b h GLU 65 Ca -0.00 -0.03 0.15 0.00 0.08 0.00 0.00 59.36 59.55 1d4b h GLU 65 Cb 0.01 -0.12 -0.10 0.00 0.50 0.00 0.00 28.75 29.04 1d4b h GLU 65 CO 0.00 0.36 0.25 0.00 -2.18 0.00 0.00 179.01 177.45 1d4b h THR 66 N 0.57 0.60 0.00 0.32 1.03 -1.04 -3.28 112.91 111.11 1d4b h THR 66 Ca 0.47 -0.13 -0.37 0.00 -0.01 0.00 0.00 66.41 66.37 1d4b h THR 66 Cb 0.93 0.20 -0.05 0.00 -1.07 0.00 0.00 68.15 68.15 1d4b h THR 66 CO -0.21 0.07 -2.21 0.18 -0.01 0.00 0.00 175.52 173.34 1d4b n LEU 67 N -5.06 1.83 -3.75 0.00 4.77 -0.74 -4.98 117.00 109.06 1d4b n LEU 67 Ca 0.14 0.32 -0.19 0.00 -0.03 0.00 0.00 56.01 56.24 1d4b n LEU 67 Cb 0.43 -0.75 -0.17 0.00 -2.33 0.00 0.00 43.42 40.60 1d4b n LEU 67 CO 0.16 0.41 -0.36 -0.76 -1.33 0.00 0.00 177.39 175.51 1d4b s LEU 68 N -7.47 0.66 -0.44 2.23 2.01 0.22 -5.11 118.68 110.78 1d4b s LEU 68 Ca -0.35 -0.00 -0.26 0.00 0.01 0.00 0.00 54.13 53.53 1d4b s LEU 68 Cb 0.12 -0.24 0.02 0.00 0.01 0.00 0.00 46.19 46.10 1d4b s LEU 68 CO 0.45 -0.18 0.94 -1.48 1.01 0.00 0.00 176.35 177.09 1d4b s LEU 69 N 1.66 3.98 -0.00 1.79 0.05 -1.25 -2.71 118.68 122.20 1d4b s LEU 69 Ca -0.01 0.23 -0.00 0.00 0.05 0.00 0.00 54.13 54.40 1d4b s LEU 69 Cb -0.13 -3.23 0.00 0.00 -2.05 0.00 0.00 46.19 40.78 1d4b s LEU 69 CO -0.03 -1.03 0.01 0.21 -0.55 0.00 0.00 176.35 174.96 1d4b s ASN 70 N 2.20 -0.00 0.36 1.48 3.84 -1.26 -4.97 114.94 116.59 1d4b s ASN 70 Ca 0.38 0.01 0.08 0.00 0.21 0.00 0.00 52.86 53.54 1d4b s ASN 70 Cb -0.10 0.01 0.69 0.00 -0.55 0.00 0.00 41.25 41.30 1d4b s ASN 70 CO 0.25 -0.01 1.87 1.23 -2.79 0.00 0.00 177.10 177.66 1d4b h GLY 71 N 6.17 0.33 -6.37 1.21 0.00 -2.03 -3.42 103.07 98.96 1d4b h GLY 71 Ca -0.25 -0.21 -0.37 0.00 0.00 0.00 0.00 47.33 46.50 1d4b h GLY 71 CO 0.51 0.20 -0.76 0.14 0.00 0.00 0.00 176.54 176.63 1d4b s VAL 72 N -4.69 0.32 -0.05 4.60 1.01 -1.26 -5.14 120.40 115.19 1d4b s VAL 72 Ca -0.06 0.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.87 1d4b s VAL 72 Cb 0.15 -0.39 0.01 0.00 0.00 0.00 0.00 36.38 36.15 1d4b s VAL 72 CO 0.75 0.18 0.17 -0.22 0.00 0.00 0.00 175.10 175.98 1d4b s LEU 73 N 1.03 1.38 -0.22 3.92 1.98 -1.26 -5.09 118.68 120.41 1d4b s LEU 73 Ca -0.10 0.19 -0.29 0.00 -2.89 0.00 0.00 54.13 51.04 1d4b s LEU 73 Cb -0.14 0.64 0.01 0.00 0.66 0.00 0.00 46.19 47.36 1d4b s LEU 73 CO -0.01 -0.16 1.05 0.42 -1.89 0.00 0.00 176.35 175.76 1d4b s THR 74 N -0.36 4.65 -0.18 3.68 -4.23 -1.23 -4.93 115.64 113.04 1d4b s THR 74 Ca -0.05 2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 62.33 1d4b s THR 74 Cb -0.03 -4.29 -0.05 0.00 1.34 0.00 0.00 72.50 69.47 1d4b s THR 74 CO 0.01 -0.18 0.26 -0.76 -0.54 0.00 0.00 174.62 173.41 1d4b s LEU 75 N 3.21 4.21 0.25 4.79 1.02 -0.33 -3.76 118.68 128.08 1d4b s LEU 75 Ca 0.45 0.41 0.01 0.00 0.02 0.00 0.00 54.13 55.02 1d4b s LEU 75 Cb -0.15 -2.31 -0.05 0.00 0.02 0.00 0.00 46.19 43.70 1d4b s LEU 75 CO 0.07 0.09 0.10 0.68 0.02 0.00 0.00 176.35 177.31 1d4b s VAL 76 N 0.59 0.49 0.04 -1.59 -7.23 -1.25 0.91 120.40 112.37 1d4b s VAL 76 Ca 0.14 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.31 1d4b s VAL 76 Cb -0.13 -2.62 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 1d4b s VAL 76 CO 0.03 0.00 -0.03 -1.48 -0.31 0.00 0.00 175.10 173.31 1d4b s LEU 77 N -3.30 2.39 -0.02 1.32 0.05 -1.13 -3.92 118.68 114.07 1d4b s LEU 77 Ca 0.38 -0.80 0.19 0.00 0.05 0.00 0.00 54.13 53.95 1d4b s LEU 77 Cb 0.08 0.14 -0.29 0.00 -2.05 0.00 0.00 46.19 44.06 1d4b s LEU 77 CO 0.14 -0.47 0.45 1.21 -0.55 0.00 0.00 176.35 177.13 1d4b n GLU 78 N 0.70 0.60 0.09 1.48 2.13 -1.26 -3.38 120.64 121.01 1d4b n GLU 78 Ca -0.18 -0.16 -0.06 0.00 0.66 0.00 0.00 57.16 57.42 1d4b n GLU 78 Cb 0.59 -1.45 -0.03 0.00 0.27 0.00 0.00 31.44 30.81 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 -0.30 -0.01 5.31 4.81 -1.98 -3.25 114.58 119.16 1d4b h GLU 79 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1d4b h GLU 79 Cb 0.85 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.30 1d4b h GLU 79 CO 0.00 -0.20 -0.54 -3.47 -0.73 0.00 0.00 179.01 174.07 1d4b n ASP 80 N -3.28 1.62 -2.70 1.04 -0.08 -1.26 -5.01 116.55 106.89 1d4b n ASP 80 Ca -0.04 -1.27 -0.02 0.00 -1.51 0.00 0.00 54.79 51.95 1d4b n ASP 80 Cb 0.14 0.51 0.01 0.00 2.34 0.00 0.00 41.12 44.12 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 1.43 -0.96 3.04 0.27 0.00 -1.22 -5.05 105.19 102.69 1d4b n GLY 81 Ca 0.09 0.32 -0.08 0.00 0.00 0.00 0.00 46.02 46.34 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 -3.04 0.16 0.18 2.61 2.01 -1.23 -5.01 115.64 111.32 1d4b s THR 82 Ca 0.05 -1.33 -0.10 0.00 0.31 0.00 0.00 61.69 60.62 1d4b s THR 82 Cb -0.01 -0.88 -0.07 0.00 0.01 0.00 0.00 72.50 71.56 1d4b s THR 82 CO 0.57 -0.73 0.51 0.00 -0.69 0.00 0.00 174.62 174.27 1d4b s ALA 83 N -2.65 3.62 -0.03 7.40 0.00 -1.26 -2.82 121.76 126.02 1d4b s ALA 83 Ca -0.05 -0.29 -0.07 0.00 0.00 0.00 0.00 51.96 51.55 1d4b s ALA 83 Cb -0.01 -2.39 0.01 0.00 0.00 0.00 0.00 23.12 20.72 1d4b s ALA 83 CO -0.05 0.52 0.16 0.08 0.00 0.00 0.00 175.76 176.47 1d4b s VAL 84 N -1.65 0.05 0.00 0.00 1.01 0.26 -4.97 120.40 115.09 1d4b s VAL 84 Ca 0.42 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.03 1d4b s VAL 84 Cb -0.13 -0.36 0.03 0.00 0.00 0.00 0.00 36.38 35.93 1d4b s VAL 84 CO 0.21 -0.21 0.88 -0.90 0.00 0.00 0.00 175.10 175.08 1d4b n ASP 85 N 2.11 0.05 -3.59 3.32 5.68 -1.26 -1.19 116.55 121.67 1d4b n ASP 85 Ca -0.18 -1.74 -0.14 0.00 -0.50 0.00 0.00 54.79 52.22 1d4b n ASP 85 Cb 0.57 -0.14 -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 -0.82 0.76 0.10 -1.12 0.15 -1.26 -5.00 113.70 106.50 1d4b s SER 86 Ca 0.03 -1.44 0.12 0.00 0.70 0.00 0.00 55.95 55.36 1d4b s SER 86 Cb 0.03 0.57 0.54 0.00 -1.71 0.00 0.00 66.02 65.45 1d4b s SER 86 CO -0.01 -1.13 1.36 1.21 1.20 0.00 0.00 173.24 175.87 1d4b n GLU 87 N -0.49 0.05 0.00 5.44 2.13 -1.26 -2.39 120.64 124.13 1d4b n GLU 87 Ca 0.02 0.44 0.03 0.00 0.66 0.00 0.00 57.16 58.31 1d4b n GLU 87 Cb 0.63 -1.64 0.12 0.00 0.27 0.00 0.00 31.44 30.82 1d4b n GLU 87 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1d4b n ASP 88 N -1.75 0.01 0.00 4.31 -0.08 -1.26 -3.86 116.55 113.93 1d4b n ASP 88 Ca 0.01 0.51 0.00 0.00 -1.51 0.00 0.00 54.79 53.80 1d4b n ASP 88 Cb 0.09 -0.51 0.00 0.00 2.34 0.00 0.00 41.12 43.04 1d4b n ASP 88 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1d4b n PHE 89 N -1.52 0.00 0.24 -0.67 7.35 -1.01 0.11 117.46 121.97 1d4b n PHE 89 Ca 0.01 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 56.88 1d4b n PHE 89 Cb 0.06 -0.20 0.83 0.00 0.35 0.00 0.00 39.48 40.52 1d4b n PHE 89 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 1d4b h PHE 90 N 0.00 0.00 0.00 -5.13 0.04 -1.89 0.42 116.94 110.39 1d4b h PHE 90 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1d4b h PHE 90 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1d4b h PHE 90 CO -0.25 0.00 -0.40 0.94 -0.60 0.00 0.00 178.31 178.00 1d4b n GLN 91 N -3.29 0.22 -0.00 1.51 7.27 0.07 -3.84 117.38 119.32 1d4b n GLN 91 Ca 0.01 0.10 -0.10 0.00 0.07 0.00 0.00 57.00 57.08 1d4b n GLN 91 Cb 0.42 -1.67 -0.14 0.00 2.41 0.00 0.00 30.24 31.26 1d4b n GLN 91 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 1d4b h LEU 92 N 0.00 0.07 -9.95 1.69 6.46 0.54 -3.47 115.31 110.65 1d4b h LEU 92 Ca 0.00 -0.13 -0.51 0.00 -0.12 0.00 0.00 57.88 57.12 1d4b h LEU 92 Cb 0.69 -0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 40.54 1d4b h LEU 92 CO 0.00 1.12 -0.49 -0.76 -0.62 0.00 0.00 178.44 177.69 1d4b s LEU 93 N -6.34 3.57 1.25 2.25 1.02 -1.11 -5.10 118.68 114.23 1d4b s LEU 93 Ca -0.06 -0.50 -0.18 0.00 0.02 0.00 0.00 54.13 53.41 1d4b s LEU 93 Cb 0.08 -2.14 0.31 0.00 0.02 0.00 0.00 46.19 44.46 1d4b s LEU 93 CO 0.82 -0.26 1.02 -1.61 0.02 0.00 0.00 176.35 176.35 1d4b s GLU 94 N -3.92 -1.61 -0.01 1.70 0.41 -1.26 -4.85 118.70 109.15 1d4b s GLU 94 Ca 0.38 0.26 -0.30 0.00 -0.41 0.00 0.00 54.97 54.90 1d4b s GLU 94 Cb -0.06 -1.52 -0.07 0.00 -1.78 0.00 0.00 34.13 30.71 1d4b s GLU 94 CO 0.25 -4.04 1.69 0.34 -0.49 0.00 0.00 175.26 173.01 1d4b s ASP 95 N -3.27 6.63 0.15 -0.19 2.15 -1.26 -4.92 116.67 115.95 1d4b s ASP 95 Ca 0.69 2.35 -0.24 0.00 0.43 0.00 0.00 52.55 55.78 1d4b s ASP 95 Cb -0.15 -2.54 0.08 0.00 -0.30 0.00 0.00 42.92 40.00 1d4b s ASP 95 CO 0.59 -0.93 1.04 1.51 -0.17 0.00 0.00 175.17 177.21 1d4b s ASP 96 N 3.25 -0.06 -0.32 -0.34 1.47 -1.26 -5.13 116.67 114.29 1d4b s ASP 96 Ca 0.75 -0.53 0.03 0.00 1.18 0.00 0.00 52.55 53.99 1d4b s ASP 96 Cb -0.36 0.46 0.09 0.00 -0.34 0.00 0.00 42.92 42.77 1d4b s ASP 96 CO 0.32 -0.88 0.02 -0.89 0.68 0.00 0.00 175.17 174.41 1d4b s THR 97 N -2.55 2.16 -0.03 2.11 2.01 -1.26 -5.05 115.64 113.03 1d4b s THR 97 Ca 0.18 -2.12 -0.01 0.00 0.31 0.00 0.00 61.69 60.05 1d4b s THR 97 Cb -0.01 -2.53 0.02 0.00 0.01 0.00 0.00 72.50 69.99 1d4b s THR 97 CO 0.03 -0.48 0.06 0.00 -0.69 0.00 0.00 174.62 173.55 1d4b s LEU 99 N 0.67 1.16 -0.01 0.00 1.98 -1.26 -4.94 118.68 116.28 1d4b s LEU 99 Ca -0.05 0.13 0.00 0.00 -2.89 0.00 0.00 54.13 51.31 1d4b s LEU 99 Cb -0.07 0.11 0.02 0.00 0.66 0.00 0.00 46.19 46.90 1d4b s LEU 99 CO -0.02 -0.11 0.02 -0.32 -1.89 0.00 0.00 176.35 174.03 1d4b s MET 100 N 0.84 -0.02 -0.13 1.98 1.75 -1.25 -3.93 119.30 118.53 1d4b s MET 100 Ca -0.07 0.12 -0.04 0.00 -1.25 0.00 0.00 55.69 54.45 1d4b s MET 100 Cb -0.09 -0.16 0.05 0.00 2.84 0.00 0.00 34.83 37.47 1d4b s MET 100 CO -0.03 -0.11 0.11 0.08 -0.65 0.00 0.00 175.02 174.42 1d4b s VAL 101 N 0.69 -0.14 0.30 10.11 1.01 -1.26 -3.76 120.40 127.34 1d4b s VAL 101 Ca -0.06 0.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.95 1d4b s VAL 101 Cb -0.08 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.85 1d4b s VAL 101 CO -0.02 -0.10 0.40 -1.48 0.00 0.00 0.00 175.10 173.90 1d4b s LEU 102 N 2.19 0.96 0.94 3.92 2.34 -1.25 -4.86 118.68 122.92 1d4b s LEU 102 Ca 0.04 -1.38 -0.15 0.00 0.06 0.00 0.00 54.13 52.69 1d4b s LEU 102 Cb -0.14 1.26 0.18 0.00 -0.56 0.00 0.00 46.19 46.92 1d4b s LEU 102 CO -0.07 -1.16 1.29 -1.58 -1.06 0.00 0.00 176.35 173.76 1d4b s GLN 103 N -3.49 0.86 1.01 1.48 0.74 -1.26 -3.53 119.66 115.48 1d4b s GLN 103 Ca 0.31 -0.29 -0.20 0.00 0.05 0.00 0.00 55.36 55.23 1d4b s GLN 103 Cb 0.01 -1.86 -0.09 0.00 1.10 0.00 0.00 33.01 32.17 1d4b s GLN 103 CO 0.17 -2.28 -0.70 -1.13 -0.55 0.00 0.00 175.29 170.80 1d4b n SER 104 N -3.70 -3.75 -0.72 6.67 3.41 -1.26 -4.68 113.62 109.60 1d4b n SER 104 Ca 0.14 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 1d4b n SER 104 Cb 0.60 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 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 2.89 -0.21 3.73 5.00 0.00 -1.26 -5.03 105.19 110.30 1d4b n GLY 105 Ca -0.00 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.83 4.67 -0.01 1.61 0.74 -1.26 -5.05 119.66 119.54 1d4b s GLN 106 Ca 0.00 1.47 -0.00 0.00 0.05 0.00 0.00 55.36 56.88 1d4b s GLN 106 Cb 0.00 -3.38 0.01 0.00 1.10 0.00 0.00 33.01 30.74 1d4b s GLN 106 CO 0.00 0.17 0.02 -1.12 -0.55 0.00 0.00 175.29 173.81 1d4b s SER 107 N 0.11 0.02 0.19 6.67 0.01 -1.26 -5.16 113.70 114.28 1d4b s SER 107 Ca 0.48 0.03 0.09 0.00 1.31 0.00 0.00 55.95 57.86 1d4b s SER 107 Cb -0.24 -0.01 -0.04 0.00 0.21 0.00 0.00 66.02 65.94 1d4b s SER 107 CO 0.30 -0.05 -0.18 0.26 0.41 0.00 0.00 173.24 173.98 1d4b s TRP 108 N 0.38 1.90 -0.09 2.43 0.51 -1.26 -5.10 118.94 117.71 1d4b s TRP 108 Ca -0.03 -0.46 -0.11 0.00 -2.12 0.00 0.00 56.10 53.37 1d4b s TRP 108 Cb -0.05 -0.91 -0.05 0.00 -0.81 0.00 0.00 33.47 31.65 1d4b s TRP 108 CO -0.01 0.40 0.27 0.45 -0.51 0.00 0.00 176.95 177.54 1d4b s SER 109 N -2.91 6.54 -0.17 2.95 0.15 -1.26 -5.04 113.70 113.96 1d4b s SER 109 Ca 0.19 0.65 -0.29 0.00 0.70 0.00 0.00 55.95 57.20 1d4b s SER 109 Cb -0.05 -2.16 -0.02 0.00 -1.71 0.00 0.00 66.02 62.08 1d4b s SER 109 CO 0.08 0.31 1.37 -2.16 1.20 0.00 0.00 173.24 174.04 1d4b s PRO 110 N -0.71 4.14 0.49 5.44 0.04 -1.26 -5.01 135.00 138.13 1d4b s PRO 110 Ca 0.18 1.70 -0.18 0.00 0.04 0.00 0.00 61.00 62.74 1d4b s PRO 110 Cb -0.14 -3.85 -0.09 0.00 0.04 0.00 0.00 34.50 30.47 1d4b s PRO 110 CO 0.07 -0.85 0.97 0.99 0.04 0.00 0.00 177.00 178.23 1d4b s THR 111 N 3.88 4.48 0.63 1.26 2.01 -1.26 -5.00 115.64 121.64 1d4b s THR 111 Ca 0.60 1.31 -0.18 0.00 0.31 0.00 0.00 61.69 63.73 1d4b s THR 111 Cb -0.23 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 1d4b s THR 111 CO 0.20 -0.56 1.01 -2.11 -0.69 0.00 0.00 174.62 172.47 1d4b n ARG 112 N -1.26 0.85 0.00 4.92 1.85 -1.26 -4.99 116.66 116.77 1d4b n ARG 112 Ca 0.07 0.34 0.00 0.00 -1.00 0.00 0.00 57.85 57.25 1d4b n ARG 112 Cb 0.54 -2.23 0.00 0.00 -1.05 0.00 0.00 32.46 29.72 1d4b n ARG 112 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1d4b n SER 113 N -1.12 0.00 -4.68 2.89 7.64 -1.26 -5.09 113.62 112.00 1d4b n SER 113 Ca 0.14 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.60 1d4b n SER 113 Cb 0.48 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.65 1d4b n SER 113 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1d4b s GLY 114 N 0.00 1.66 -0.37 0.23 0.00 -1.26 -3.97 107.32 103.60 1d4b s GLY 114 Ca 0.00 0.93 -0.18 0.00 0.00 0.00 0.00 44.72 45.47 1d4b s GLY 114 CO 0.00 2.78 0.46 -0.62 0.00 0.00 0.00 173.10 175.72 1d4b n VAL 115 N 5.03 -8.55 -1.34 1.40 0.31 -1.26 -4.91 118.33 109.02 1d4b n VAL 115 Ca 0.15 0.82 -0.09 0.00 -0.01 0.00 0.00 64.34 65.21 1d4b n VAL 115 Cb 0.43 -5.86 0.21 0.00 -0.91 0.00 0.00 33.84 27.70 1d4b n VAL 115 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1d4b n LEU 116 N 0.06 4.95 -3.92 7.52 -0.00 -1.26 -4.91 117.00 119.44 1d4b n LEU 116 Ca 0.03 -3.65 -0.28 0.00 -0.00 0.00 0.00 56.01 52.12 1d4b n LEU 116 Cb 0.44 -0.69 -0.17 0.00 -0.00 0.00 0.00 43.42 43.01 1d4b n LEU 116 CO 0.45 1.14 -0.44 -2.28 -0.00 0.00 0.00 177.39 176.26 1d4b s HIS 117 N -3.22 1.74 -0.01 1.47 2.46 -1.26 -5.02 115.29 111.44 1d4b s HIS 117 Ca 0.49 -1.03 -0.16 0.00 0.47 0.00 0.00 55.06 54.82 1d4b s HIS 117 Cb 0.42 -1.34 -0.06 0.00 -0.13 0.00 0.00 32.58 31.48 1d4b s HIS 117 CO 0.04 -0.60 0.45 -1.58 -2.47 0.00 0.00 174.74 170.58 1d4b s HIS 118 N 1.62 3.70 0.13 3.88 2.46 -1.26 -5.08 115.29 120.74 1d4b s HIS 118 Ca 0.02 1.02 -0.02 0.00 0.47 0.00 0.00 55.06 56.55 1d4b s HIS 118 Cb -0.14 -2.38 -0.03 0.00 -0.13 0.00 0.00 32.58 29.89 1d4b s HIS 118 CO -0.08 0.53 0.09 -3.38 -2.47 0.00 0.00 174.74 169.42 1d4b s HIS 119 N -0.71 0.75 0.02 3.88 -3.43 -1.26 -5.17 115.29 109.37 1d4b s HIS 119 Ca 0.25 -1.14 0.02 0.00 -0.80 0.00 0.00 55.06 53.39 1d4b s HIS 119 Cb -0.17 -0.40 -0.01 0.00 -1.43 0.00 0.00 32.58 30.57 1d4b s HIS 119 CO 0.14 -0.54 -0.06 -1.58 -2.00 0.00 0.00 174.74 170.70 1d4b s HIS 120 N -4.02 0.52 0.16 0.38 2.46 -1.26 -5.15 115.29 108.38 1d4b s HIS 120 Ca 0.21 -0.31 -0.03 0.00 0.47 0.00 0.00 55.06 55.40 1d4b s HIS 120 Cb 0.07 -0.32 0.01 0.00 -0.13 0.00 0.00 32.58 32.21 1d4b s HIS 120 CO 0.00 -0.06 0.27 -2.39 -2.47 0.00 0.00 174.74 170.10 1d4b n HIS 121 N 2.16 -1.21 -1.85 3.88 1.44 -1.26 -5.37 115.22 113.01 1d4b n HIS 121 Ca -0.18 -0.92 0.00 0.00 -2.01 0.00 0.00 57.72 54.61 1d4b n HIS 121 Cb 0.56 0.31 0.00 0.00 0.12 0.00 0.00 29.99 30.99 1d4b n HIS 121 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14