#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 0.96 -3.53 2.12 4.07 -1.26 -4.80 120.64 118.20 1d4b n GLU 2 Ca 0.00 0.02 -0.41 0.00 -0.06 0.00 0.00 57.16 56.70 1d4b n GLU 2 Cb 0.00 -1.46 -0.08 0.00 -0.06 0.00 0.00 31.44 29.84 1d4b n GLU 2 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 1d4b s TYR 3 N -2.44 3.46 0.17 4.31 2.02 -1.26 -4.77 117.35 118.84 1d4b s TYR 3 Ca -0.13 -1.99 0.00 0.00 -0.37 0.00 0.00 57.07 54.58 1d4b s TYR 3 Cb 0.06 -3.52 0.00 0.00 -0.40 0.00 0.00 41.96 38.10 1d4b s TYR 3 CO 0.70 -0.97 0.00 -0.11 -1.57 0.00 0.00 175.55 173.60 1d4b n LEU 4 N 4.57 -1.24 -3.47 -1.29 7.94 -1.26 -5.11 117.00 117.15 1d4b n LEU 4 Ca -0.03 0.32 -0.17 0.00 -1.11 0.00 0.00 56.01 55.02 1d4b n LEU 4 Cb 0.41 1.38 -0.12 0.00 0.53 0.00 0.00 43.42 45.62 1d4b n LEU 4 CO 0.41 -0.31 -0.18 -0.44 -1.11 0.00 0.00 177.39 175.76 1d4b s SER 5 N -2.29 1.25 -0.34 1.96 0.01 -1.26 -5.02 113.70 108.00 1d4b s SER 5 Ca 0.00 -0.19 0.09 0.00 1.31 0.00 0.00 55.95 57.15 1d4b s SER 5 Cb 0.00 0.49 0.45 0.00 0.21 0.00 0.00 66.02 67.17 1d4b s SER 5 CO 0.00 -0.33 1.14 0.00 0.41 0.00 0.00 173.24 174.46 1d4b n ALA 6 N 5.32 4.69 -0.09 1.44 0.00 -1.26 -4.86 120.51 125.75 1d4b n ALA 6 Ca -0.05 -3.82 0.00 0.00 0.00 0.00 0.00 53.44 49.57 1d4b n ALA 6 Cb 0.49 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.46 1d4b n ALA 6 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1d4b n LEU 7 N -0.58 0.00 -3.27 0.00 7.99 -1.26 -5.07 117.00 114.81 1d4b n LEU 7 Ca 0.36 0.00 0.03 0.00 -0.01 0.00 0.00 56.01 56.40 1d4b n LEU 7 Cb 0.84 -0.42 -0.03 0.00 -0.11 0.00 0.00 43.42 43.70 1d4b n LEU 7 CO 0.34 -0.45 0.52 0.21 -1.51 0.00 0.00 177.39 176.49 1d4b s ASN 8 N -3.76 -0.67 -0.01 -1.43 2.47 -1.26 -5.05 114.94 105.23 1d4b s ASN 8 Ca 0.00 0.63 -0.23 0.00 0.42 0.00 0.00 52.86 53.68 1d4b s ASN 8 Cb 0.00 1.65 -0.19 0.00 -1.45 0.00 0.00 41.25 41.26 1d4b s ASN 8 CO 0.00 -0.13 1.22 1.55 -3.72 0.00 0.00 177.10 176.03 1d4b h PRO 9 N 7.79 0.19 -6.15 0.43 0.13 -1.97 -3.45 132.00 128.97 1d4b h PRO 9 Ca -0.16 -0.13 -0.50 0.00 -0.87 0.00 0.00 66.00 64.34 1d4b h PRO 9 Cb 1.14 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 1d4b h PRO 9 CO 0.04 0.72 -0.39 -1.12 -0.23 0.00 0.00 178.00 177.02 1d4b s SER 10 N -6.05 4.99 0.28 1.44 0.01 -1.26 -5.14 113.70 107.97 1d4b s SER 10 Ca -0.15 -0.77 0.10 0.00 1.31 0.00 0.00 55.95 56.44 1d4b s SER 10 Cb 0.03 -0.57 -0.05 0.00 0.21 0.00 0.00 66.02 65.64 1d4b s SER 10 CO 0.73 -0.64 -0.16 -0.62 0.41 0.00 0.00 173.24 172.95 1d4b s ASP 11 N -4.11 3.36 -0.36 2.44 -1.08 -1.26 -5.11 116.67 110.56 1d4b s ASP 11 Ca 0.47 -1.07 -0.16 0.00 -0.52 0.00 0.00 52.55 51.27 1d4b s ASP 11 Cb -0.03 -0.27 -0.00 0.00 -1.46 0.00 0.00 42.92 41.16 1d4b s ASP 11 CO 0.27 -0.07 0.41 -0.22 0.52 0.00 0.00 175.17 176.09 1d4b s LEU 12 N -3.49 4.49 0.15 -1.34 1.98 -1.26 -5.05 118.68 114.15 1d4b s LEU 12 Ca 0.29 -0.25 0.02 0.00 -2.89 0.00 0.00 54.13 51.30 1d4b s LEU 12 Cb -0.02 -2.41 -0.04 0.00 0.66 0.00 0.00 46.19 44.37 1d4b s LEU 12 CO 0.13 -0.41 -0.03 -0.22 -1.89 0.00 0.00 176.35 173.93 1d4b s LEU 13 N 2.13 2.30 0.00 -0.68 2.96 -1.26 -5.09 118.68 119.04 1d4b s LEU 13 Ca 0.14 -1.10 0.00 0.00 -0.22 0.00 0.00 54.13 52.95 1d4b s LEU 13 Cb -0.16 -0.10 0.00 0.00 0.50 0.00 0.00 46.19 46.43 1d4b s LEU 13 CO 0.12 -0.50 0.00 0.54 -1.32 0.00 0.00 176.35 175.19 1d4b n ARG 14 N -0.18 0.00 -3.63 1.98 5.12 -1.26 -5.16 116.66 113.54 1d4b n ARG 14 Ca -0.09 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.75 1d4b n ARG 14 Cb 0.62 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.86 1d4b n ARG 14 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1d4b s SER 15 N -0.47 -0.37 -0.47 0.55 0.15 -1.26 -5.10 113.70 106.72 1d4b s SER 15 Ca 0.00 0.65 0.07 0.00 0.70 0.00 0.00 55.95 57.37 1d4b s SER 15 Cb 0.00 0.64 0.24 0.00 -1.71 0.00 0.00 66.02 65.19 1d4b s SER 15 CO 0.00 -0.17 0.58 0.52 1.20 0.00 0.00 173.24 175.37 1d4b n VAL 16 N 1.77 0.26 -3.39 4.45 0.31 -1.26 -5.05 118.33 115.43 1d4b n VAL 16 Ca -0.11 -4.37 -0.04 0.00 -0.01 0.00 0.00 64.34 59.80 1d4b n VAL 16 Cb 0.56 -1.99 -0.06 0.00 -0.91 0.00 0.00 33.84 31.44 1d4b n VAL 16 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1d4b s SER 17 N -1.53 -0.53 -0.19 4.52 0.01 -1.26 -5.03 113.70 109.69 1d4b s SER 17 Ca 0.36 0.75 0.15 0.00 1.31 0.00 0.00 55.95 58.52 1d4b s SER 17 Cb 0.15 1.63 0.36 0.00 0.21 0.00 0.00 66.02 68.38 1d4b s SER 17 CO -0.08 -0.26 1.25 0.59 0.41 0.00 0.00 173.24 175.14 1d4b n ASN 18 N 5.40 -0.10 -4.79 2.44 4.13 -1.26 -5.11 115.26 115.96 1d4b n ASN 18 Ca -0.05 -2.08 -0.38 0.00 1.68 0.00 0.00 54.58 53.75 1d4b n ASN 18 Cb 0.50 0.11 -0.06 0.00 -1.54 0.00 0.00 39.78 38.79 1d4b n ASN 18 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1d4b s ILE 19 N -1.03 4.44 0.21 2.41 1.01 -1.26 -5.07 121.20 121.91 1d4b s ILE 19 Ca 0.16 1.54 0.08 0.00 0.00 0.00 0.00 60.65 62.43 1d4b s ILE 19 Cb 0.31 -4.01 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 1d4b s ILE 19 CO -0.08 0.37 -0.15 -0.94 0.00 0.00 0.00 174.94 174.13 1d4b s SER 20 N -1.38 2.73 -0.08 3.58 1.04 -1.26 -5.15 113.70 113.17 1d4b s SER 20 Ca 0.40 -1.02 -0.30 0.00 0.48 0.00 0.00 55.95 55.51 1d4b s SER 20 Cb -0.20 -0.16 0.10 0.00 0.10 0.00 0.00 66.02 65.85 1d4b s SER 20 CO 0.24 -0.13 0.83 -0.55 0.98 0.00 0.00 173.24 174.60 1d4b s SER 21 N -3.33 -0.51 -0.23 7.02 0.15 -1.26 -5.14 113.70 110.40 1d4b s SER 21 Ca 0.23 0.48 -0.03 0.00 0.70 0.00 0.00 55.95 57.34 1d4b s SER 21 Cb -0.02 0.43 0.01 0.00 -1.71 0.00 0.00 66.02 64.73 1d4b s SER 21 CO 0.08 -0.52 -0.05 -0.70 1.20 0.00 0.00 173.24 173.25 1d4b s GLU 22 N -1.47 3.15 -0.62 5.44 2.12 -1.26 -5.00 118.70 121.07 1d4b s GLU 22 Ca -0.05 -0.78 0.02 0.00 0.36 0.00 0.00 54.97 54.52 1d4b s GLU 22 Cb -0.00 -3.01 0.39 0.00 0.26 0.00 0.00 34.13 31.77 1d4b s GLU 22 CO 0.04 -0.29 1.53 1.19 -0.54 0.00 0.00 175.26 177.19 1d4b n PHE 23 N 4.75 3.21 -1.66 5.30 3.72 -1.26 -4.92 117.46 126.60 1d4b n PHE 23 Ca -0.17 -2.75 -0.42 0.00 -0.05 0.00 0.00 57.45 54.06 1d4b n PHE 23 Cb 0.49 -0.60 -0.02 0.00 -0.94 0.00 0.00 39.48 38.42 1d4b n PHE 23 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1d4b n GLY 24 N -0.53 3.68 0.00 1.37 0.00 -1.26 -4.83 105.19 103.62 1d4b n GLY 24 Ca 0.46 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1d4b n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d4b n ARG 25 N 6.60 0.00 -1.35 1.61 1.74 -1.26 -5.04 116.66 118.96 1d4b n ARG 25 Ca 0.51 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 57.30 1d4b n ARG 25 Cb 0.40 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.87 1d4b n ARG 25 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1d4b n ARG 26 N 0.00 2.37 -3.90 5.56 1.85 -1.26 -4.95 116.66 116.34 1d4b n ARG 26 Ca 0.00 -2.60 -0.30 0.00 -1.00 0.00 0.00 57.85 53.95 1d4b n ARG 26 Cb 0.00 -2.06 -0.04 0.00 -1.05 0.00 0.00 32.46 29.32 1d4b n ARG 26 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1d4b s VAL 27 N -3.51 5.35 -0.34 8.89 1.01 -1.26 -5.08 120.40 125.45 1d4b s VAL 27 Ca 0.51 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 62.10 1d4b s VAL 27 Cb 0.39 -3.66 0.09 0.00 0.00 0.00 0.00 36.38 33.21 1d4b s VAL 27 CO -0.14 0.07 0.06 0.26 0.00 0.00 0.00 175.10 175.36 1d4b s TRP 28 N -1.58 3.63 0.27 5.22 0.51 -1.26 -5.09 118.94 120.63 1d4b s TRP 28 Ca 0.36 -2.70 0.09 0.00 -2.12 0.00 0.00 56.10 51.73 1d4b s TRP 28 Cb -0.12 -2.82 -0.05 0.00 -0.81 0.00 0.00 33.47 29.66 1d4b s TRP 28 CO 0.28 -0.94 -0.14 0.95 -0.51 0.00 0.00 176.95 176.59 1d4b s THR 29 N 1.01 2.06 -1.40 2.01 -4.23 -1.26 -5.04 115.64 108.78 1d4b s THR 29 Ca 0.07 -2.27 -0.12 0.00 -1.18 0.00 0.00 61.69 58.19 1d4b s THR 29 Cb -0.20 -2.30 0.08 0.00 1.34 0.00 0.00 72.50 71.41 1d4b s THR 29 CO -0.06 -0.41 2.13 -1.54 -0.54 0.00 0.00 174.62 174.19 1d4b n SER 30 N -0.57 4.30 -3.56 3.99 3.41 -1.26 -4.87 113.62 115.06 1d4b n SER 30 Ca -0.06 -2.92 -0.11 0.00 -0.26 0.00 0.00 58.87 55.52 1d4b n SER 30 Cb 0.61 -1.60 -0.03 0.00 -0.26 0.00 0.00 64.21 62.93 1d4b n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1d4b s ALA 31 N 2.29 -1.29 0.62 7.33 0.00 -1.26 -5.16 121.76 124.30 1d4b s ALA 31 Ca 0.45 0.18 -0.15 0.00 0.00 0.00 0.00 51.96 52.43 1d4b s ALA 31 Cb 0.13 0.83 -0.02 0.00 0.00 0.00 0.00 23.12 24.06 1d4b s ALA 31 CO -0.06 -0.76 1.07 -1.25 0.00 0.00 0.00 175.76 174.76 1d4b s PRO 32 N -3.80 3.12 0.74 0.00 0.04 -1.26 -5.02 135.00 128.81 1d4b s PRO 32 Ca 0.04 1.23 -0.11 0.00 0.04 0.00 0.00 61.00 62.20 1d4b s PRO 32 Cb -0.01 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.56 1d4b s PRO 32 CO -0.10 -0.98 1.07 -1.25 0.04 0.00 0.00 177.00 175.79 1d4b s PRO 33 N -4.18 2.58 0.71 0.56 0.04 -1.26 -5.03 135.00 128.42 1d4b s PRO 33 Ca 0.64 1.01 -0.11 0.00 0.04 0.00 0.00 61.00 62.58 1d4b s PRO 33 Cb -0.17 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.44 1d4b s PRO 33 CO 0.40 -1.37 1.07 -1.25 0.04 0.00 0.00 177.00 175.89 1d4b s PRO 34 N -5.00 2.75 0.49 0.56 0.04 -1.26 -5.01 135.00 127.58 1d4b s PRO 34 Ca 0.59 1.03 -0.21 0.00 0.04 0.00 0.00 61.00 62.45 1d4b s PRO 34 Cb -0.15 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.35 1d4b s PRO 34 CO 0.55 -1.25 1.08 -1.14 0.04 0.00 0.00 177.00 176.29 1d4b s GLN 35 N -4.97 3.69 -0.06 4.56 0.74 -1.26 -4.96 119.66 117.40 1d4b s GLN 35 Ca 0.59 1.49 -0.06 0.00 0.05 0.00 0.00 55.36 57.43 1d4b s GLN 35 Cb -0.15 -2.13 0.02 0.00 1.10 0.00 0.00 33.01 31.84 1d4b s GLN 35 CO 0.55 -0.55 0.16 0.50 -0.55 0.00 0.00 175.29 175.40 1d4b s ARG 36 N -3.13 0.20 -0.79 1.67 6.06 -1.25 -4.99 118.95 116.71 1d4b s ARG 36 Ca 0.68 0.21 -0.25 0.00 -2.50 0.00 0.00 55.73 53.86 1d4b s ARG 36 Cb -0.20 0.10 -0.01 0.00 0.06 0.00 0.00 34.95 34.89 1d4b s ARG 36 CO 0.24 -0.02 1.74 -1.25 -2.50 0.00 0.00 175.30 173.51 1d4b s PRO 37 N 0.05 2.82 -0.20 5.12 0.04 -1.26 -2.66 135.00 138.91 1d4b s PRO 37 Ca -0.00 -0.07 -0.27 0.00 0.04 0.00 0.00 61.00 60.70 1d4b s PRO 37 Cb -0.01 -4.72 -0.00 0.00 0.04 0.00 0.00 34.50 29.80 1d4b s PRO 37 CO 0.00 -2.79 0.91 -0.06 0.04 0.00 0.00 177.00 175.11 1d4b s PHE 38 N 8.33 3.38 -0.46 0.56 0.08 -0.92 -4.85 117.98 124.10 1d4b s PHE 38 Ca 0.60 1.33 -0.29 0.00 0.12 0.00 0.00 56.93 58.69 1d4b s PHE 38 Cb -0.08 -3.12 0.02 0.00 -0.57 0.00 0.00 43.02 39.27 1d4b s PHE 38 CO 0.08 -0.35 1.26 0.50 -0.10 0.00 0.00 175.22 176.62 1d4b s ARG 39 N 2.61 3.63 -0.11 0.44 3.52 -1.26 -3.05 118.95 124.73 1d4b s ARG 39 Ca 0.40 0.69 -0.03 0.00 -0.13 0.00 0.00 55.73 56.66 1d4b s ARG 39 Cb -0.16 -3.97 -0.03 0.00 -1.56 0.00 0.00 34.95 29.22 1d4b s ARG 39 CO 0.10 -1.50 0.02 0.08 -0.81 0.00 0.00 175.30 173.19 1d4b s VAL 40 N 4.95 4.46 0.28 7.11 1.01 -1.24 -4.05 120.40 132.93 1d4b s VAL 40 Ca 0.53 -0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.41 1d4b s VAL 40 Cb -0.10 -2.91 -0.06 0.00 0.00 0.00 0.00 36.38 33.32 1d4b s VAL 40 CO 0.32 0.58 -0.09 0.00 0.00 0.00 0.00 175.10 175.91 1d4b s ASP 42 N -3.47 4.43 0.00 0.00 -1.08 -1.14 -4.36 116.67 111.05 1d4b s ASP 42 Ca 0.29 -1.35 0.00 0.00 -0.52 0.00 0.00 52.55 50.97 1d4b s ASP 42 Cb 0.02 0.30 0.00 0.00 -1.46 0.00 0.00 42.92 41.78 1d4b s ASP 42 CO 0.12 -0.93 0.11 1.57 0.52 0.00 0.00 175.17 176.57 1d4b n HIS 43 N -1.51 0.00 0.00 -5.34 -0.00 -1.26 -4.48 115.22 102.62 1d4b n HIS 43 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.65 1d4b n HIS 43 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.64 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 -0.24 0.00 -0.42 1.57 3.00 -1.26 -4.94 118.16 115.86 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 -0.64 0.00 0.00 0.00 0.00 0.00 35.03 34.39 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 -2.28 0.00 0.08 1.64 0.63 -1.26 -5.00 116.66 110.48 1d4b n ARG 45 Ca 0.00 -0.26 -0.07 0.00 -0.92 0.00 0.00 57.85 56.60 1d4b n ARG 45 Cb 0.00 -0.14 -0.04 0.00 0.45 0.00 0.00 32.46 32.73 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 5.15 0.00 -3.30 5.15 1.35 -1.92 -3.42 112.91 115.92 1d4b h THR 46 Ca 0.00 0.00 -0.45 0.00 -0.55 0.00 0.00 66.41 65.41 1d4b h THR 46 Cb 1.09 0.00 -0.37 0.00 -1.73 0.00 0.00 68.15 67.15 1d4b h THR 46 CO 0.00 0.00 -0.78 -0.63 -0.25 0.00 0.00 175.52 173.86 1d4b s ILE 47 N -4.19 0.54 -0.27 6.82 1.01 -1.26 -5.07 121.20 118.78 1d4b s ILE 47 Ca -0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.52 1d4b s ILE 47 Cb 0.02 -0.64 0.09 0.00 0.01 0.00 0.00 42.46 41.95 1d4b s ILE 47 CO 0.26 0.27 0.13 -0.60 0.00 0.00 0.00 174.94 174.99 1d4b s ARG 48 N 1.63 0.17 -0.01 2.79 3.52 -1.26 -2.90 118.95 122.90 1d4b s ARG 48 Ca 0.01 -0.47 -0.00 0.00 -0.13 0.00 0.00 55.73 55.14 1d4b s ARG 48 Cb -0.13 -1.25 0.01 0.00 -1.56 0.00 0.00 34.95 32.03 1d4b s ARG 48 CO -0.04 -0.97 0.02 0.21 -0.81 0.00 0.00 175.30 173.71 1d4b s LYS 49 N 2.11 -0.01 -0.79 5.12 2.47 -1.20 -5.03 119.74 122.40 1d4b s LYS 49 Ca 0.08 0.09 -0.24 0.00 -1.56 0.00 0.00 55.97 54.34 1d4b s LYS 49 Cb -0.16 -0.11 0.06 0.00 -1.46 0.00 0.00 37.83 36.16 1d4b s LYS 49 CO -0.33 -0.08 1.20 0.20 0.16 0.00 0.00 175.35 176.51 1d4b s GLY 50 N 0.49 1.22 -0.08 5.54 0.00 -1.26 -3.70 107.32 109.53 1d4b s GLY 50 Ca -0.04 -1.85 -0.04 0.00 0.00 0.00 0.00 44.72 42.79 1d4b s GLY 50 CO -0.01 2.41 0.10 1.08 0.00 0.00 0.00 173.10 176.68 1d4b s LEU 51 N 4.74 4.12 -0.05 0.66 1.43 -1.17 -4.80 118.68 123.61 1d4b s LEU 51 Ca 0.33 0.32 -0.28 0.00 -1.03 0.00 0.00 54.13 53.48 1d4b s LEU 51 Cb -0.09 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 1d4b s LEU 51 CO 0.06 0.36 0.90 0.42 0.23 0.00 0.00 176.35 178.31 1d4b s THR 52 N -1.07 4.91 0.07 5.49 -4.23 -1.26 -2.16 115.64 117.39 1d4b s THR 52 Ca 0.18 1.86 0.02 0.00 -1.18 0.00 0.00 61.69 62.57 1d4b s THR 52 Cb -0.12 -4.23 -0.03 0.00 1.34 0.00 0.00 72.50 69.46 1d4b s THR 52 CO 0.07 0.15 -0.08 0.00 -0.54 0.00 0.00 174.62 174.23 1d4b s ALA 53 N 1.18 0.76 -0.30 3.99 0.00 -1.09 -4.92 121.76 121.39 1d4b s ALA 53 Ca 0.46 -1.01 -0.03 0.00 0.00 0.00 0.00 51.96 51.38 1d4b s ALA 53 Cb -0.19 0.08 0.10 0.00 0.00 0.00 0.00 23.12 23.11 1d4b s ALA 53 CO 0.23 -0.10 0.13 0.00 0.00 0.00 0.00 175.76 176.01 1d4b s ALA 54 N -2.28 0.89 -0.13 0.00 0.00 -1.26 -3.79 121.76 115.19 1d4b s ALA 54 Ca -0.01 -1.28 -0.17 0.00 0.00 0.00 0.00 51.96 50.50 1d4b s ALA 54 Cb -0.04 -1.46 0.04 0.00 0.00 0.00 0.00 23.12 21.66 1d4b s ALA 54 CO -0.02 -1.67 0.44 0.99 0.00 0.00 0.00 175.76 175.51 1d4b s THR 55 N 1.92 0.01 0.00 0.00 2.01 -1.26 -5.00 115.64 113.32 1d4b s THR 55 Ca 0.10 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1d4b s THR 55 Cb -0.17 -0.66 0.00 0.00 0.01 0.00 0.00 72.50 71.68 1d4b s THR 55 CO -0.32 -0.05 0.00 -1.14 -0.69 0.00 0.00 174.62 172.42 1d4b n ARG 56 N 2.37 0.00 -0.01 4.92 0.63 -1.26 -4.39 116.66 118.93 1d4b n ARG 56 Ca -0.15 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.63 1d4b n ARG 56 Cb 0.57 -0.25 -0.14 0.00 0.45 0.00 0.00 32.46 33.09 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 -1.05 0.70 0.00 -0.14 7.27 -1.26 -3.94 117.38 118.97 1d4b n GLN 57 Ca 0.00 0.27 0.10 0.00 0.07 0.00 0.00 57.00 57.44 1d4b n GLN 57 Cb 0.00 -1.74 0.48 0.00 2.41 0.00 0.00 30.24 31.39 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 -3.28 0.23 0.07 3.69 2.13 -1.26 -3.34 120.64 118.89 1d4b n GLU 58 Ca -0.25 0.11 0.20 0.00 0.66 0.00 0.00 57.16 57.88 1d4b n GLU 58 Cb 1.05 -1.50 0.74 0.00 0.27 0.00 0.00 31.44 32.01 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 0.00 -0.62 4.31 6.46 -1.77 -0.07 115.31 123.62 1d4b h LEU 59 Ca 0.00 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.72 1d4b h LEU 59 Cb 0.21 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.11 1d4b h LEU 59 CO 0.00 0.00 0.25 0.25 -0.62 0.00 0.00 178.44 178.32 1d4b h LEU 60 N 0.00 0.86 -2.04 2.25 7.12 -1.85 -2.12 115.31 119.53 1d4b h LEU 60 Ca 0.20 -0.17 0.12 0.00 0.13 0.00 0.00 57.88 58.16 1d4b h LEU 60 Cb 1.01 -0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 40.90 1d4b h LEU 60 CO -0.00 0.80 0.32 0.00 -0.13 0.00 0.00 178.44 179.43 1d4b h ALA 61 N 1.10 2.29 0.16 1.25 0.00 -1.27 -2.03 119.26 120.75 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 0.21 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1d4b h ALA 61 CO -0.02 -0.53 -0.08 -0.22 0.00 0.00 0.00 179.25 178.41 1d4b h LYS 62 N 0.00 -0.20 -0.87 0.00 3.11 -1.44 -2.13 116.57 115.04 1d4b h LYS 62 Ca 0.19 0.01 0.25 0.00 -2.81 0.00 0.00 60.65 58.30 1d4b h LYS 62 Cb 0.83 0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 32.07 1d4b h LYS 62 CO -0.00 -0.11 0.68 0.00 -2.81 0.00 0.00 179.45 177.21 1d4b h ALA 63 N 0.60 2.77 -2.53 5.00 0.00 -1.44 0.20 119.26 123.87 1d4b h ALA 63 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1d4b h ALA 63 Cb 0.18 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1d4b h ALA 63 CO 0.04 -1.13 0.00 1.28 0.00 0.00 0.00 179.25 179.44 1d4b n LEU 64 N -4.07 2.16 0.24 0.00 4.77 -0.82 -4.19 117.00 115.09 1d4b n LEU 64 Ca 0.18 0.15 0.18 0.00 -0.03 0.00 0.00 56.01 56.49 1d4b n LEU 64 Cb 0.99 -0.08 0.89 0.00 -2.33 0.00 0.00 43.42 42.88 1d4b n LEU 64 CO 0.36 -0.08 1.15 -0.08 -1.33 0.00 0.00 177.39 177.41 1d4b h GLU 65 N 0.00 0.00 -0.50 3.23 4.22 -1.49 -2.07 114.58 117.96 1d4b h GLU 65 Ca 0.00 0.00 0.09 0.00 0.08 0.00 0.00 59.36 59.53 1d4b h GLU 65 Cb 0.00 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.17 1d4b h GLU 65 CO 0.00 0.00 0.06 0.00 -2.18 0.00 0.00 179.01 176.89 1d4b h THR 66 N 0.00 0.67 0.00 0.32 1.03 -1.12 -3.33 112.91 110.49 1d4b h THR 66 Ca 0.06 -0.06 -0.36 0.00 -0.01 0.00 0.00 66.41 66.04 1d4b h THR 66 Cb 0.47 0.47 -0.05 0.00 -1.07 0.00 0.00 68.15 67.97 1d4b h THR 66 CO -0.00 0.03 -2.18 0.18 -0.01 0.00 0.00 175.52 173.55 1d4b n LEU 67 N -5.16 1.82 -3.81 0.00 4.77 -1.05 -5.04 117.00 108.53 1d4b n LEU 67 Ca 0.06 0.31 -0.12 0.00 -0.03 0.00 0.00 56.01 56.23 1d4b n LEU 67 Cb 0.26 -0.75 -0.11 0.00 -2.33 0.00 0.00 43.42 40.49 1d4b n LEU 67 CO 0.18 0.39 -0.11 -0.76 -1.33 0.00 0.00 177.39 175.76 1d4b s LEU 68 N -7.47 1.21 -0.24 2.23 1.43 -0.81 -5.13 118.68 109.91 1d4b s LEU 68 Ca -0.34 0.19 -0.25 0.00 -1.03 0.00 0.00 54.13 52.70 1d4b s LEU 68 Cb 0.12 0.83 -0.01 0.00 0.03 0.00 0.00 46.19 47.17 1d4b s LEU 68 CO 0.44 -0.23 0.83 -1.48 0.23 0.00 0.00 176.35 176.14 1d4b s LEU 69 N -0.59 4.09 0.03 1.79 0.05 -1.26 -3.42 118.68 119.36 1d4b s LEU 69 Ca -0.07 1.05 -0.00 0.00 0.05 0.00 0.00 54.13 55.16 1d4b s LEU 69 Cb -0.04 -3.19 -0.02 0.00 -2.05 0.00 0.00 46.19 40.88 1d4b s LEU 69 CO 0.01 -0.51 -0.03 0.21 -0.55 0.00 0.00 176.35 175.49 1d4b s ASN 70 N 1.33 0.28 0.07 1.48 3.84 -1.26 -5.02 114.94 115.65 1d4b s ASN 70 Ca 0.35 -0.58 -0.16 0.00 0.21 0.00 0.00 52.86 52.68 1d4b s ASN 70 Cb -0.15 0.12 -0.16 0.00 -0.55 0.00 0.00 41.25 40.50 1d4b s ASN 70 CO 0.08 -0.36 1.27 1.23 -2.79 0.00 0.00 177.10 176.53 1d4b h GLY 71 N 4.37 0.71 -5.91 1.21 0.00 -2.03 -3.45 103.07 97.98 1d4b h GLY 71 Ca -0.32 -0.97 -0.39 0.00 0.00 0.00 0.00 47.33 45.65 1d4b h GLY 71 CO 0.45 0.87 -0.77 0.14 0.00 0.00 0.00 176.54 177.23 1d4b s VAL 72 N -3.76 0.52 -0.07 4.60 1.01 -1.26 -5.14 120.40 116.29 1d4b s VAL 72 Ca -0.12 -0.17 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 1d4b s VAL 72 Cb 0.07 -0.51 0.02 0.00 0.00 0.00 0.00 36.38 35.97 1d4b s VAL 72 CO 0.86 0.19 0.19 -0.22 0.00 0.00 0.00 175.10 176.12 1d4b s LEU 73 N 0.54 1.13 -0.00 3.92 1.98 -1.26 -5.03 118.68 119.96 1d4b s LEU 73 Ca -0.07 0.38 -0.17 0.00 -2.89 0.00 0.00 54.13 51.39 1d4b s LEU 73 Cb -0.11 0.62 -0.06 0.00 0.66 0.00 0.00 46.19 47.31 1d4b s LEU 73 CO 0.00 -0.09 0.47 0.42 -1.89 0.00 0.00 176.35 175.26 1d4b s THR 74 N 0.35 4.97 -0.10 3.68 -4.23 -1.23 -5.02 115.64 114.06 1d4b s THR 74 Ca -0.02 0.97 -0.10 0.00 -1.18 0.00 0.00 61.69 61.36 1d4b s THR 74 Cb -0.03 -3.79 -0.05 0.00 1.34 0.00 0.00 72.50 69.97 1d4b s THR 74 CO -0.01 0.52 0.23 -0.76 -0.54 0.00 0.00 174.62 174.06 1d4b s LEU 75 N -0.76 4.38 0.06 4.79 1.43 -0.96 -3.82 118.68 123.81 1d4b s LEU 75 Ca 0.26 0.58 -0.07 0.00 -1.03 0.00 0.00 54.13 53.87 1d4b s LEU 75 Cb -0.17 -2.24 -0.01 0.00 0.03 0.00 0.00 46.19 43.80 1d4b s LEU 75 CO 0.14 0.33 0.14 0.68 0.23 0.00 0.00 176.35 177.88 1d4b s VAL 76 N -0.74 0.15 0.01 -1.59 -7.23 -1.23 0.30 120.40 110.06 1d4b s VAL 76 Ca 0.17 -1.21 0.07 0.00 -1.81 0.00 0.00 61.98 59.21 1d4b s VAL 76 Cb -0.13 -1.21 -0.02 0.00 0.56 0.00 0.00 36.38 35.58 1d4b s VAL 76 CO 0.06 -0.67 -0.23 -1.48 -0.31 0.00 0.00 175.10 172.48 1d4b s LEU 77 N -2.60 2.10 0.09 1.32 2.34 -1.08 -3.63 118.68 117.21 1d4b s LEU 77 Ca 0.02 -0.46 0.24 0.00 0.06 0.00 0.00 54.13 53.98 1d4b s LEU 77 Cb 0.03 -1.12 0.20 0.00 -0.56 0.00 0.00 46.19 44.74 1d4b s LEU 77 CO -0.08 0.24 1.17 1.21 -1.06 0.00 0.00 176.35 177.83 1d4b n GLU 78 N 2.23 0.30 0.23 1.48 2.13 -1.26 -2.72 120.64 123.02 1d4b n GLU 78 Ca -0.16 0.04 -0.12 0.00 0.66 0.00 0.00 57.16 57.58 1d4b n GLU 78 Cb 0.52 -1.64 -0.07 0.00 0.27 0.00 0.00 31.44 30.53 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 -0.69 0.00 5.31 4.81 -1.98 -3.33 114.58 118.70 1d4b h GLU 79 Ca 0.00 0.05 -0.22 0.00 -0.13 0.00 0.00 59.36 59.05 1d4b h GLU 79 Cb 0.74 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.24 1d4b h GLU 79 CO 0.00 -0.46 -2.15 -3.47 -0.73 0.00 0.00 179.01 172.20 1d4b n ASP 80 N -4.41 0.10 -0.76 1.04 -0.08 -1.26 -5.03 116.55 106.14 1d4b n ASP 80 Ca -0.09 0.04 0.00 0.00 -1.51 0.00 0.00 54.79 53.24 1d4b n ASP 80 Cb 0.32 1.24 0.00 0.00 2.34 0.00 0.00 41.12 45.01 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 1.55 0.58 2.94 0.27 0.00 -1.10 -5.12 105.19 104.31 1d4b n GLY 81 Ca -0.21 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.51 0.07 0.32 2.61 2.01 -1.21 -5.01 115.64 111.93 1d4b s THR 82 Ca 0.00 -0.54 -0.09 0.00 0.31 0.00 0.00 61.69 61.37 1d4b s THR 82 Cb 0.00 -0.17 -0.06 0.00 0.01 0.00 0.00 72.50 72.28 1d4b s THR 82 CO 0.00 -0.30 0.65 0.00 -0.69 0.00 0.00 174.62 174.28 1d4b s ALA 83 N -0.88 3.48 0.02 7.40 0.00 -1.26 -2.63 121.76 127.88 1d4b s ALA 83 Ca -0.10 -0.31 -0.08 0.00 0.00 0.00 0.00 51.96 51.48 1d4b s ALA 83 Cb -0.06 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.53 1d4b s ALA 83 CO -0.01 0.21 0.14 0.08 0.00 0.00 0.00 175.76 176.19 1d4b s VAL 84 N -2.13 0.10 0.00 0.00 1.01 0.15 -4.97 120.40 114.56 1d4b s VAL 84 Ca 0.48 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1d4b s VAL 84 Cb -0.11 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.67 1d4b s VAL 84 CO 0.27 -0.44 0.84 -0.90 0.00 0.00 0.00 175.10 174.88 1d4b n ASP 85 N 1.18 0.00 -3.59 3.32 5.68 -1.26 -2.25 116.55 119.63 1d4b n ASP 85 Ca -0.21 -1.70 -0.14 0.00 -0.50 0.00 0.00 54.79 52.24 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 -0.94 -1.33 0.00 0.00 177.20 174.93 1d4b s SER 86 N -0.70 0.76 0.08 -1.12 1.04 -1.26 -5.01 113.70 107.49 1d4b s SER 86 Ca 0.00 -1.44 0.11 0.00 0.48 0.00 0.00 55.95 55.10 1d4b s SER 86 Cb 0.00 0.57 0.49 0.00 0.10 0.00 0.00 66.02 67.18 1d4b s SER 86 CO 0.00 -1.13 1.33 1.21 0.98 0.00 0.00 173.24 175.64 1d4b n GLU 87 N -0.49 0.04 0.01 4.02 2.13 -1.26 -2.38 120.64 122.72 1d4b n GLU 87 Ca 0.02 0.43 0.03 0.00 0.66 0.00 0.00 57.16 58.30 1d4b n GLU 87 Cb 0.63 -1.61 0.13 0.00 0.27 0.00 0.00 31.44 30.85 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 -1.70 0.02 -0.05 4.31 2.03 -1.26 -3.61 116.55 116.29 1d4b n ASP 88 Ca 0.01 0.51 -0.05 0.00 0.52 0.00 0.00 54.79 55.78 1d4b n ASP 88 Cb 0.09 -0.51 -0.04 0.00 -0.72 0.00 0.00 41.12 39.94 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 -0.68 -0.07 -0.67 3.57 -1.90 0.35 116.94 117.55 1d4b h PHE 89 Ca 0.00 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.55 1d4b h PHE 89 Cb 0.09 0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 1d4b h PHE 89 CO 0.00 -0.19 0.19 0.74 -2.23 0.00 0.00 178.31 176.81 1d4b h PHE 90 N -0.16 0.00 -0.00 0.41 0.04 -1.88 0.23 116.94 115.59 1d4b h PHE 90 Ca 0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1d4b h PHE 90 Cb 0.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.39 1d4b h PHE 90 CO -0.65 0.00 -0.22 0.94 -0.60 0.00 0.00 178.31 177.78 1d4b n GLN 91 N -3.29 0.17 0.07 1.51 7.27 0.10 -3.62 117.38 119.60 1d4b n GLN 91 Ca -0.01 -0.06 0.07 0.00 0.07 0.00 0.00 57.00 57.06 1d4b n GLN 91 Cb 0.27 -1.50 -0.03 0.00 2.41 0.00 0.00 30.24 31.39 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 0.15 0.00 -9.50 1.69 6.46 0.14 -3.47 115.31 110.78 1d4b h LEU 92 Ca 0.00 0.00 -0.61 0.00 -0.12 0.00 0.00 57.88 57.15 1d4b h LEU 92 Cb 0.47 0.00 -0.13 0.00 -0.73 0.00 0.00 40.66 40.27 1d4b h LEU 92 CO 0.00 0.25 -0.66 -0.76 -0.62 0.00 0.00 178.44 176.65 1d4b s LEU 93 N -5.55 2.82 1.26 2.25 1.02 -1.21 -5.13 118.68 114.14 1d4b s LEU 93 Ca -0.01 -1.13 -0.18 0.00 0.02 0.00 0.00 54.13 52.82 1d4b s LEU 93 Cb 0.09 -1.12 0.31 0.00 0.02 0.00 0.00 46.19 45.49 1d4b s LEU 93 CO 0.80 -0.22 1.02 -0.70 0.02 0.00 0.00 176.35 177.27 1d4b s GLU 94 N -3.65 -1.67 0.02 1.70 -6.30 -1.26 -4.81 118.70 102.72 1d4b s GLU 94 Ca 0.33 0.26 -0.31 0.00 -2.50 0.00 0.00 54.97 52.76 1d4b s GLU 94 Cb 0.02 -1.51 -0.10 0.00 0.00 0.00 0.00 34.13 32.54 1d4b s GLU 94 CO 0.17 -4.08 1.96 -3.47 0.02 0.00 0.00 175.26 169.86 1d4b n ASP 95 N -5.08 4.05 -3.53 -1.70 2.03 -1.26 -4.90 116.55 106.16 1d4b n ASP 95 Ca 0.10 0.92 -0.02 0.00 0.52 0.00 0.00 54.79 56.30 1d4b n ASP 95 Cb 0.58 -1.50 0.01 0.00 -0.72 0.00 0.00 41.12 39.49 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 4.33 -0.05 -0.30 1.67 1.47 -1.26 -5.13 116.67 117.40 1d4b s ASP 96 Ca 0.89 -0.50 0.01 0.00 1.18 0.00 0.00 52.55 54.13 1d4b s ASP 96 Cb -0.48 0.43 0.09 0.00 -0.34 0.00 0.00 42.92 42.62 1d4b s ASP 96 CO 0.44 -0.83 0.06 -0.89 0.68 0.00 0.00 175.17 174.63 1d4b s THR 97 N -2.49 1.31 -0.04 2.11 2.01 -1.26 -5.07 115.64 112.21 1d4b s THR 97 Ca 0.19 -1.59 -0.02 0.00 0.31 0.00 0.00 61.69 60.57 1d4b s THR 97 Cb -0.01 -1.93 0.02 0.00 0.01 0.00 0.00 72.50 70.60 1d4b s THR 97 CO 0.03 -0.57 0.10 0.00 -0.69 0.00 0.00 174.62 173.49 1d4b s LEU 99 N 0.72 0.04 -0.08 0.00 0.20 -1.26 -4.97 118.68 113.32 1d4b s LEU 99 Ca -0.06 0.18 0.03 0.00 0.69 0.00 0.00 54.13 54.97 1d4b s LEU 99 Cb -0.08 0.06 -0.02 0.00 -0.43 0.00 0.00 46.19 45.72 1d4b s LEU 99 CO -0.03 -0.25 -0.18 -0.32 -0.29 0.00 0.00 176.35 175.28 1d4b s MET 100 N 2.23 2.86 -0.19 1.98 1.75 -1.24 -3.87 119.30 122.81 1d4b s MET 100 Ca 0.04 -0.76 -0.00 0.00 -1.25 0.00 0.00 55.69 53.71 1d4b s MET 100 Cb -0.12 -2.40 0.05 0.00 2.84 0.00 0.00 34.83 35.20 1d4b s MET 100 CO -0.04 0.38 -0.05 0.08 -0.65 0.00 0.00 175.02 174.74 1d4b s VAL 101 N -0.13 1.24 0.30 10.11 1.01 -1.26 -3.54 120.40 128.13 1d4b s VAL 101 Ca -0.03 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.06 1d4b s VAL 101 Cb -0.14 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 1d4b s VAL 101 CO 0.04 0.02 0.39 -1.48 0.00 0.00 0.00 175.10 174.08 1d4b s LEU 102 N 1.55 0.96 0.54 3.92 2.34 -1.25 -4.87 118.68 121.87 1d4b s LEU 102 Ca -0.02 -1.37 -0.06 0.00 0.06 0.00 0.00 54.13 52.74 1d4b s LEU 102 Cb -0.17 1.25 -0.02 0.00 -0.56 0.00 0.00 46.19 46.69 1d4b s LEU 102 CO -0.07 -1.16 0.85 -1.58 -1.06 0.00 0.00 176.35 173.33 1d4b s GLN 103 N -3.50 3.27 0.83 1.48 0.74 -1.26 -3.58 119.66 117.64 1d4b s GLN 103 Ca 0.31 0.14 -0.10 0.00 0.05 0.00 0.00 55.36 55.75 1d4b s GLN 103 Cb 0.01 -2.32 0.09 0.00 1.10 0.00 0.00 33.01 31.90 1d4b s GLN 103 CO 0.17 -0.44 1.11 -1.54 -0.55 0.00 0.00 175.29 174.04 1d4b s SER 104 N -4.20 3.88 0.00 6.67 1.04 -1.26 -4.03 113.70 115.81 1d4b s SER 104 Ca 0.51 1.89 0.00 0.00 0.48 0.00 0.00 55.95 58.83 1d4b s SER 104 Cb -0.10 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1d4b s SER 104 CO 0.45 -2.44 0.00 0.61 0.98 0.00 0.00 173.24 172.84 1d4b n GLY 105 N -0.76 0.86 3.28 7.32 0.00 -1.26 -5.07 105.19 109.55 1d4b n GLY 105 Ca 0.10 -0.62 -0.16 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.14 1.14 0.25 1.61 0.74 -1.26 -5.16 119.66 113.85 1d4b s GLN 106 Ca 0.00 -1.48 0.02 0.00 0.05 0.00 0.00 55.36 53.95 1d4b s GLN 106 Cb 0.00 -0.80 -0.04 0.00 1.10 0.00 0.00 33.01 33.27 1d4b s GLN 106 CO 0.00 0.12 0.19 -1.12 -0.55 0.00 0.00 175.29 173.93 1d4b s SER 107 N -3.17 0.76 0.43 6.67 0.01 -1.26 -5.14 113.70 112.00 1d4b s SER 107 Ca 0.18 -1.54 -0.21 0.00 1.31 0.00 0.00 55.95 55.70 1d4b s SER 107 Cb 0.01 0.45 -0.11 0.00 0.21 0.00 0.00 66.02 66.58 1d4b s SER 107 CO 0.03 -0.93 0.95 0.26 0.41 0.00 0.00 173.24 173.96 1d4b s TRP 108 N -3.88 3.31 0.06 2.43 0.51 -1.26 -5.03 118.94 115.09 1d4b s TRP 108 Ca 0.40 1.61 -0.24 0.00 -2.12 0.00 0.00 56.10 55.75 1d4b s TRP 108 Cb 0.05 -2.85 -0.06 0.00 -0.81 0.00 0.00 33.47 29.80 1d4b s TRP 108 CO 0.18 -0.12 0.72 -1.12 -0.51 0.00 0.00 176.95 176.10 1d4b s SER 109 N -2.20 7.19 0.25 2.95 0.01 -1.26 -5.03 113.70 115.61 1d4b s SER 109 Ca 0.62 1.41 -0.30 0.00 1.31 0.00 0.00 55.95 59.00 1d4b s SER 109 Cb -0.09 -2.44 -0.09 0.00 0.21 0.00 0.00 66.02 63.61 1d4b s SER 109 CO 0.14 0.10 1.10 -2.16 0.41 0.00 0.00 173.24 172.82 1d4b s PRO 110 N -0.41 4.63 -0.21 12.44 0.04 -1.26 -5.03 135.00 145.19 1d4b s PRO 110 Ca 0.36 1.78 -0.04 0.00 0.04 0.00 0.00 61.00 63.14 1d4b s PRO 110 Cb -0.20 -3.21 0.10 0.00 0.04 0.00 0.00 34.50 31.22 1d4b s PRO 110 CO 0.22 0.18 0.22 0.99 0.04 0.00 0.00 177.00 178.65 1d4b s THR 111 N -0.90 -0.33 0.52 1.26 2.01 -1.26 -5.13 115.64 111.80 1d4b s THR 111 Ca 0.46 -0.15 -0.22 0.00 0.31 0.00 0.00 61.69 62.08 1d4b s THR 111 Cb -0.31 -0.71 -0.06 0.00 0.01 0.00 0.00 72.50 71.44 1d4b s THR 111 CO 0.39 -0.23 1.30 -0.13 -0.69 0.00 0.00 174.62 175.26 1d4b s ARG 112 N 2.32 3.34 -0.30 4.92 3.00 -1.26 -4.95 118.95 126.02 1d4b s ARG 112 Ca 0.07 2.11 0.18 0.00 0.00 0.00 0.00 55.73 58.09 1d4b s ARG 112 Cb -0.16 -2.31 0.46 0.00 0.00 0.00 0.00 34.95 32.94 1d4b s ARG 112 CO -0.14 -0.99 1.29 -1.13 0.00 0.00 0.00 175.30 174.33 1d4b n SER 113 N -0.84 0.18 0.00 0.23 3.41 -1.26 -5.11 113.62 110.23 1d4b n SER 113 Ca 0.09 -2.17 0.00 0.00 -0.26 0.00 0.00 58.87 56.54 1d4b n SER 113 Cb 0.46 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1d4b n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1d4b n GLY 114 N -0.95 -0.04 3.77 5.00 0.00 -1.26 -5.10 105.19 106.60 1d4b n GLY 114 Ca -0.03 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 44.73 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 -4.00 3.48 0.00 1.61 1.01 -1.26 -4.85 120.40 116.38 1d4b s VAL 115 Ca 0.00 1.35 0.00 0.00 0.00 0.00 0.00 61.98 63.33 1d4b s VAL 115 Cb 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1d4b s VAL 115 CO 0.00 0.21 0.00 -0.11 0.00 0.00 0.00 175.10 175.20 1d4b n LEU 116 N 0.66 0.00 -3.28 3.92 0.00 -1.26 -5.11 117.00 111.93 1d4b n LEU 116 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 56.01 56.05 1d4b n LEU 116 Cb 0.46 0.24 -0.02 0.00 0.00 0.00 0.00 43.42 44.11 1d4b n LEU 116 CO 0.51 -0.28 0.23 -2.28 0.00 0.00 0.00 177.39 175.56 1d4b s HIS 117 N -1.57 -1.45 0.27 1.96 5.04 -1.26 -5.16 115.29 113.12 1d4b s HIS 117 Ca 0.00 1.77 0.06 0.00 -1.54 0.00 0.00 55.06 55.35 1d4b s HIS 117 Cb 0.00 0.60 -0.03 0.00 0.04 0.00 0.00 32.58 33.19 1d4b s HIS 117 CO 0.00 -0.77 0.32 -1.58 -2.34 0.00 0.00 174.74 170.36 1d4b s HIS 118 N 2.86 3.23 0.07 3.88 2.46 -1.26 -5.12 115.29 121.41 1d4b s HIS 118 Ca 0.12 -0.11 0.09 0.00 0.47 0.00 0.00 55.06 55.63 1d4b s HIS 118 Cb -0.14 -1.61 -0.03 0.00 -0.13 0.00 0.00 32.58 30.67 1d4b s HIS 118 CO -0.20 0.37 -0.24 -1.58 -2.47 0.00 0.00 174.74 170.62 1d4b s HIS 119 N -2.10 2.10 -0.09 3.88 2.46 -1.26 -5.13 115.29 115.16 1d4b s HIS 119 Ca 0.36 -0.40 -0.05 0.00 0.47 0.00 0.00 55.06 55.45 1d4b s HIS 119 Cb -0.08 -1.21 -0.04 0.00 -0.13 0.00 0.00 32.58 31.12 1d4b s HIS 119 CO 0.28 0.18 0.11 -1.01 -2.47 0.00 0.00 174.74 171.83 1d4b s HIS 120 N -0.92 3.47 -0.21 3.88 3.76 -1.26 -5.09 115.29 118.93 1d4b s HIS 120 Ca 0.10 0.41 -0.02 0.00 -0.15 0.00 0.00 55.06 55.40 1d4b s HIS 120 Cb -0.10 -1.87 0.06 0.00 1.11 0.00 0.00 32.58 31.78 1d4b s HIS 120 CO 0.03 0.65 0.00 -1.01 -0.85 0.00 0.00 174.74 173.57 1d4b s HIS 121 N -1.06 1.52 0.00 1.40 3.76 -1.26 -5.38 115.29 114.27 1d4b s HIS 121 Ca 0.17 -1.18 0.00 0.00 -0.15 0.00 0.00 55.06 53.90 1d4b s HIS 121 Cb -0.12 -1.22 0.00 0.00 1.11 0.00 0.00 32.58 32.35 1d4b s HIS 121 CO 0.07 -0.67 0.24 1.58 -0.85 0.00 0.00 174.74 175.11