#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ib4 s ILE 1 N 0.00 0.70 -0.02 3.17 1.01 -1.26 -5.14 121.20 119.66 3ib4 s ILE 1 Ca 0.00 -0.34 0.04 0.00 0.00 0.00 0.00 60.65 60.35 3ib4 s ILE 1 Cb 0.00 -0.62 -0.01 0.00 0.01 0.00 0.00 42.46 41.85 3ib4 s ILE 1 CO 0.00 0.21 -0.13 0.00 0.00 0.00 0.00 174.94 175.02 3ib4 s GLN 2 N 0.04 1.24 -0.05 2.79 -2.07 -1.26 -4.08 119.66 116.27 3ib4 s GLN 2 Ca -0.00 -0.47 -0.02 0.00 -1.82 0.00 0.00 55.36 53.04 3ib4 s GLN 2 Cb -0.06 -1.15 0.04 0.00 -1.09 0.00 0.00 33.01 30.74 3ib4 s GLN 2 CO 0.00 0.24 0.10 1.03 -1.32 0.00 0.00 175.29 175.34 3ib4 s ARG 3 N -0.10 -0.00 0.31 9.60 0.52 0.26 -4.92 118.95 124.62 3ib4 s ARG 3 Ca 0.01 0.38 -0.29 0.00 -0.52 0.00 0.00 55.73 55.31 3ib4 s ARG 3 Cb -0.08 -0.31 -0.10 0.00 0.52 0.00 0.00 34.95 34.98 3ib4 s ARG 3 CO 0.00 -0.25 1.33 0.99 0.02 0.00 0.00 175.30 177.40 3ib4 s THR 4 N 1.73 2.72 0.51 0.02 2.01 -1.26 -1.95 115.64 119.42 3ib4 s THR 4 Ca -0.02 0.69 -0.21 0.00 0.31 0.00 0.00 61.69 62.47 3ib4 s THR 4 Cb -0.12 -3.44 -0.07 0.00 0.01 0.00 0.00 72.50 68.88 3ib4 s THR 4 CO -0.04 0.15 1.12 -2.16 -0.69 0.00 0.00 174.62 173.00 3ib4 s PRO 5 N -1.47 3.55 -0.09 4.92 0.04 -1.26 -4.65 135.00 136.04 3ib4 s PRO 5 Ca 0.51 1.61 -0.18 0.00 0.04 0.00 0.00 61.00 62.98 3ib4 s PRO 5 Cb -0.40 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 31.96 3ib4 s PRO 5 CO 0.51 -0.69 0.49 0.21 0.04 0.00 0.00 177.00 177.56 3ib4 s LYS 6 N -3.11 4.29 -0.15 4.56 2.47 -0.33 -4.87 119.74 122.61 3ib4 s LYS 6 Ca 0.69 0.49 0.02 0.00 -1.56 0.00 0.00 55.97 55.61 3ib4 s LYS 6 Cb -0.24 -3.40 0.01 0.00 -1.46 0.00 0.00 37.83 32.74 3ib4 s LYS 6 CO 0.28 0.24 -0.20 0.42 0.16 0.00 0.00 175.35 176.25 3ib4 s ILE 7 N 0.33 2.21 -0.04 5.43 1.01 -1.26 -0.94 121.20 127.94 3ib4 s ILE 7 Ca 0.27 -0.92 0.05 0.00 0.00 0.00 0.00 60.65 60.04 3ib4 s ILE 7 Cb -0.16 -1.90 -0.01 0.00 0.01 0.00 0.00 42.46 40.40 3ib4 s ILE 7 CO 0.12 0.54 -0.18 -1.10 0.00 0.00 0.00 174.94 174.31 3ib4 s GLN 8 N 0.87 1.78 -0.09 2.79 -0.21 -0.39 -4.99 119.66 119.42 3ib4 s GLN 8 Ca -0.05 -0.65 0.03 0.00 0.02 0.00 0.00 55.36 54.70 3ib4 s GLN 8 Cb -0.15 -1.58 0.01 0.00 1.00 0.00 0.00 33.01 32.28 3ib4 s GLN 8 CO -0.03 0.30 -0.18 0.08 -2.12 0.00 0.00 175.29 173.35 3ib4 s VAL 9 N -0.12 1.61 0.29 1.09 1.01 -1.26 -0.63 120.40 122.39 3ib4 s VAL 9 Ca -0.01 -0.75 -0.20 0.00 0.00 0.00 0.00 61.98 61.02 3ib4 s VAL 9 Cb -0.10 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 34.87 3ib4 s VAL 9 CO 0.01 0.46 0.72 -0.72 0.00 0.00 0.00 175.10 175.57 3ib4 s TYR 10 N 0.57 -0.13 0.11 5.22 1.13 -0.66 -4.64 117.35 118.95 3ib4 s TYR 10 Ca -0.15 -0.34 0.08 0.00 -1.41 0.00 0.00 57.07 55.24 3ib4 s TYR 10 Cb -0.17 0.70 -0.04 0.00 -1.10 0.00 0.00 41.96 41.36 3ib4 s TYR 10 CO 0.05 -1.26 -0.20 -1.54 -2.51 0.00 0.00 175.55 170.08 3ib4 s SER 11 N -2.94 2.53 -0.01 -0.18 1.04 -1.06 -0.30 113.70 112.77 3ib4 s SER 11 Ca 0.12 -0.71 -0.05 0.00 0.48 0.00 0.00 55.95 55.79 3ib4 s SER 11 Cb -0.06 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.93 3ib4 s SER 11 CO 0.08 0.04 0.11 -0.13 0.98 0.00 0.00 173.24 174.32 3ib4 s ARG 12 N -2.04 0.34 -0.11 4.02 1.81 -0.40 -4.98 118.95 117.59 3ib4 s ARG 12 Ca 0.08 -0.20 -0.03 0.00 -1.72 0.00 0.00 55.73 53.85 3ib4 s ARG 12 Cb -0.09 0.14 -0.03 0.00 -0.45 0.00 0.00 34.95 34.51 3ib4 s ARG 12 CO 0.05 -0.07 0.02 -1.01 -0.68 0.00 0.00 175.30 173.60 3ib4 s HIS 13 N -0.84 3.19 0.41 -0.53 3.76 -1.26 -0.67 115.29 119.35 3ib4 s HIS 13 Ca -0.09 0.15 -0.26 0.00 -0.15 0.00 0.00 55.06 54.70 3ib4 s HIS 13 Cb -0.05 -1.86 -0.10 0.00 1.11 0.00 0.00 32.58 31.68 3ib4 s HIS 13 CO 0.01 0.39 1.38 -2.30 -0.85 0.00 0.00 174.74 173.36 3ib4 n PRO 14 N 2.47 2.25 0.27 8.40 -0.02 -1.26 -4.86 135.00 142.26 3ib4 n PRO 14 Ca -0.18 0.79 0.13 0.00 -2.02 0.00 0.00 63.50 62.22 3ib4 n PRO 14 Cb 0.53 -2.52 0.77 0.00 -0.02 0.00 0.00 33.50 32.27 3ib4 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ib4 h ALA 15 N 2.44 1.41 -0.00 3.55 0.00 -1.98 -1.11 119.26 123.57 3ib4 h ALA 15 Ca -0.49 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3ib4 h ALA 15 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3ib4 h ALA 15 CO 0.62 0.10 -0.10 -0.85 0.00 0.00 0.00 179.25 179.02 3ib4 n GLU 16 N -3.79 0.09 -3.29 0.00 0.00 -1.26 -4.64 120.64 107.75 3ib4 n GLU 16 Ca -0.02 -0.02 -0.13 0.00 0.00 0.00 0.00 57.16 56.99 3ib4 n GLU 16 Cb 0.18 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.06 3ib4 n GLU 16 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 3ib4 s ASN 17 N -2.92 0.44 0.00 -1.84 3.84 -0.42 -4.99 114.94 109.06 3ib4 s ASN 17 Ca 0.16 -1.52 0.18 0.00 0.21 0.00 0.00 52.86 51.89 3ib4 s ASN 17 Cb 0.19 0.89 1.05 0.00 -0.55 0.00 0.00 41.25 42.83 3ib4 s ASN 17 CO 0.55 -0.22 1.47 0.61 -2.79 0.00 0.00 177.10 176.72 3ib4 n GLY 18 N 4.11 -0.58 0.02 1.21 0.00 -1.25 -2.50 105.19 106.20 3ib4 n GLY 18 Ca 0.13 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.15 3ib4 n GLY 18 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ib4 n LYS 19 N -1.02 0.16 -4.12 1.61 4.76 -1.26 -4.82 118.16 113.47 3ib4 n LYS 19 Ca 0.13 0.01 -0.35 0.00 -2.87 0.00 0.00 58.31 55.23 3ib4 n LYS 19 Cb 0.07 -1.57 -0.09 0.00 -1.84 0.00 0.00 35.03 31.60 3ib4 n LYS 19 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3ib4 s SER 20 N -3.56 5.62 -0.04 4.39 0.15 -1.04 -5.10 113.70 114.11 3ib4 s SER 20 Ca 0.07 0.17 0.06 0.00 0.70 0.00 0.00 55.95 56.96 3ib4 s SER 20 Cb 0.15 -1.81 -0.02 0.00 -1.71 0.00 0.00 66.02 62.63 3ib4 s SER 20 CO 0.77 0.29 -0.23 0.21 1.20 0.00 0.00 173.24 175.48 3ib4 s ASN 21 N -0.34 3.29 -0.06 5.45 3.04 -1.26 -4.24 114.94 120.81 3ib4 s ASN 21 Ca 0.09 -0.42 0.05 0.00 0.04 0.00 0.00 52.86 52.62 3ib4 s ASN 21 Cb -0.12 -0.60 -0.01 0.00 -1.54 0.00 0.00 41.25 38.98 3ib4 s ASN 21 CO 0.02 0.30 -0.21 -0.36 -3.04 0.00 0.00 177.10 173.81 3ib4 s PHE 22 N -0.50 2.15 -0.14 0.43 0.08 0.16 -0.82 117.98 119.35 3ib4 s PHE 22 Ca 0.06 -0.68 -0.15 0.00 0.12 0.00 0.00 56.93 56.28 3ib4 s PHE 22 Cb -0.11 -1.43 -0.05 0.00 -0.57 0.00 0.00 43.02 40.86 3ib4 s PHE 22 CO 0.01 -0.23 0.37 -1.17 -0.10 0.00 0.00 175.22 174.09 3ib4 s LEU 23 N 0.03 4.27 0.01 -0.37 2.96 -0.21 -1.28 118.68 124.09 3ib4 s LEU 23 Ca -0.07 0.65 0.06 0.00 -0.22 0.00 0.00 54.13 54.56 3ib4 s LEU 23 Cb -0.14 -2.50 -0.02 0.00 0.50 0.00 0.00 46.19 44.03 3ib4 s LEU 23 CO 0.04 0.08 -0.19 0.20 -1.32 0.00 0.00 176.35 175.15 3ib4 s ASN 24 N 0.44 2.30 -0.08 3.68 -0.87 0.58 -1.86 114.94 119.13 3ib4 s ASN 24 Ca 0.20 -0.43 0.01 0.00 -1.57 0.00 0.00 52.86 51.08 3ib4 s ASN 24 Cb -0.14 -0.22 0.02 0.00 -0.02 0.00 0.00 41.25 40.89 3ib4 s ASN 24 CO 0.07 0.19 -0.11 0.00 -2.57 0.00 0.00 177.10 174.68 3ib4 s TYR 26 N 0.99 3.13 -0.26 0.00 5.04 0.20 -1.16 117.35 125.28 3ib4 s TYR 26 Ca -0.08 -0.99 -0.01 0.00 -2.44 0.00 0.00 57.07 53.56 3ib4 s TYR 26 Cb -0.15 -2.23 0.04 0.00 0.35 0.00 0.00 41.96 39.97 3ib4 s TYR 26 CO -0.00 -0.57 -0.06 0.08 -1.34 0.00 0.00 175.55 173.65 3ib4 s VAL 27 N 1.49 2.72 0.09 3.14 1.01 0.40 -1.26 120.40 127.99 3ib4 s VAL 27 Ca 0.03 -1.25 0.05 0.00 0.00 0.00 0.00 61.98 60.81 3ib4 s VAL 27 Cb -0.17 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 3ib4 s VAL 27 CO 0.02 0.08 -0.13 -0.94 0.00 0.00 0.00 175.10 174.13 3ib4 s SER 28 N 1.26 1.65 -0.58 3.32 1.04 -0.12 -0.66 113.70 119.60 3ib4 s SER 28 Ca -0.03 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.71 3ib4 s SER 28 Cb -0.18 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.90 3ib4 s SER 28 CO -0.04 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.65 3ib4 n GLY 29 N 0.99 0.80 3.90 7.32 0.00 -0.01 -1.18 105.19 117.02 3ib4 n GLY 29 Ca -0.19 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 3ib4 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ib4 s PHE 30 N -2.20 3.48 -0.11 1.61 -0.71 -1.07 -4.69 117.98 114.29 3ib4 s PHE 30 Ca 0.00 0.49 -0.10 0.00 -1.04 0.00 0.00 56.93 56.27 3ib4 s PHE 30 Cb 0.00 -1.95 0.03 0.00 -1.21 0.00 0.00 43.02 39.88 3ib4 s PHE 30 CO 0.00 0.44 0.30 -1.58 -1.34 0.00 0.00 175.22 173.04 3ib4 s HIS 31 N -1.68 -0.33 1.00 3.49 2.46 -0.82 -1.40 115.29 118.01 3ib4 s HIS 31 Ca 0.40 0.80 -0.17 0.00 0.47 0.00 0.00 55.06 56.56 3ib4 s HIS 31 Cb -0.12 0.11 0.24 0.00 -0.13 0.00 0.00 32.58 32.69 3ib4 s HIS 31 CO 0.26 -0.16 0.99 -0.35 -2.47 0.00 0.00 174.74 173.01 3ib4 n PRO 32 N 2.90 -2.41 0.22 2.88 -0.04 -1.26 -0.57 135.00 136.73 3ib4 n PRO 32 Ca -0.13 -1.57 0.13 0.00 -0.04 0.00 0.00 63.50 61.89 3ib4 n PRO 32 Cb 0.58 -1.35 0.26 0.00 -0.04 0.00 0.00 33.50 32.95 3ib4 n PRO 32 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3ib4 h SER 33 N -2.24 0.00 -2.74 3.54 0.02 -1.93 -3.45 113.55 106.76 3ib4 h SER 33 Ca -0.36 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.03 3ib4 h SER 33 Cb 1.06 0.00 0.08 0.00 0.14 0.00 0.00 62.40 63.68 3ib4 h SER 33 CO 0.24 0.00 0.74 0.47 -1.14 0.00 0.00 176.83 177.14 3ib4 n ASP 34 N -3.06 3.16 -3.51 3.07 8.00 -1.26 -4.96 116.55 117.99 3ib4 n ASP 34 Ca 0.04 1.13 -0.09 0.00 0.71 0.00 0.00 54.79 56.57 3ib4 n ASP 34 Cb 0.49 -1.48 -0.03 0.00 -0.02 0.00 0.00 41.12 40.09 3ib4 n ASP 34 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3ib4 s ILE 35 N 0.22 0.00 -0.07 0.53 2.07 -1.26 -4.66 121.20 118.03 3ib4 s ILE 35 Ca 0.70 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.95 3ib4 s ILE 35 Cb -0.61 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.00 3ib4 s ILE 35 CO 0.46 0.00 -0.10 -0.70 -1.91 0.00 0.00 174.94 172.69 3ib4 s GLU 36 N -2.79 1.54 -0.06 3.50 2.12 -0.53 -5.00 118.70 117.48 3ib4 s GLU 36 Ca 0.03 -0.34 0.00 0.00 0.36 0.00 0.00 54.97 55.03 3ib4 s GLU 36 Cb -0.01 -1.35 0.02 0.00 0.26 0.00 0.00 34.13 33.05 3ib4 s GLU 36 CO -0.07 -0.04 -0.03 0.08 -0.54 0.00 0.00 175.26 174.66 3ib4 s VAL 37 N 0.88 0.48 0.06 3.70 1.01 -1.26 -0.91 120.40 124.36 3ib4 s VAL 37 Ca -0.11 -0.03 0.05 0.00 0.00 0.00 0.00 61.98 61.90 3ib4 s VAL 37 Cb -0.15 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 3ib4 s VAL 37 CO 0.01 0.24 -0.14 -1.81 0.00 0.00 0.00 175.10 173.40 3ib4 s ASP 38 N 1.34 1.68 0.03 3.32 1.01 -0.22 -4.99 116.67 118.84 3ib4 s ASP 38 Ca -0.05 -0.56 -0.14 0.00 0.71 0.00 0.00 52.55 52.52 3ib4 s ASP 38 Cb -0.13 -0.07 -0.06 0.00 1.01 0.00 0.00 42.92 43.67 3ib4 s ASP 38 CO -0.02 -0.03 0.42 -0.76 0.21 0.00 0.00 175.17 174.99 3ib4 s LEU 39 N -1.51 4.44 0.07 1.23 1.43 -1.26 -0.54 118.68 122.53 3ib4 s LEU 39 Ca -0.00 0.94 0.09 0.00 -1.03 0.00 0.00 54.13 54.13 3ib4 s LEU 39 Cb -0.09 -2.74 -0.03 0.00 0.03 0.00 0.00 46.19 43.35 3ib4 s LEU 39 CO 0.02 0.27 -0.25 -0.76 0.23 0.00 0.00 176.35 175.85 3ib4 s LEU 40 N -1.35 2.26 -0.18 1.79 1.43 0.49 -0.52 118.68 122.61 3ib4 s LEU 40 Ca 0.27 -0.61 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 3ib4 s LEU 40 Cb -0.16 -1.30 0.03 0.00 0.03 0.00 0.00 46.19 44.79 3ib4 s LEU 40 CO 0.15 0.24 -0.13 -0.75 0.23 0.00 0.00 176.35 176.09 3ib4 s LYS 41 N -1.46 2.31 -1.61 1.70 2.20 0.21 -1.70 119.74 121.38 3ib4 s LYS 41 Ca 0.13 -0.76 -0.14 0.00 -0.36 0.00 0.00 55.97 54.84 3ib4 s LYS 41 Cb -0.10 -2.35 0.11 0.00 -1.51 0.00 0.00 37.83 33.98 3ib4 s LYS 41 CO 0.03 -0.33 0.74 0.09 -0.36 0.00 0.00 175.35 175.53 3ib4 n ASN 42 N 4.69 -2.87 0.00 1.43 5.03 0.61 -1.38 115.26 122.78 3ib4 n ASN 42 Ca -0.17 -0.97 0.00 0.00 0.87 0.00 0.00 54.58 54.31 3ib4 n ASN 42 Cb 0.48 -3.01 0.00 0.00 -1.02 0.00 0.00 39.78 36.24 3ib4 n ASN 42 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ib4 n GLY 43 N -1.58 1.87 3.78 7.41 0.00 -1.26 -5.03 105.19 110.38 3ib4 n GLY 43 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 3ib4 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ib4 s GLU 44 N -0.31 3.35 0.21 1.61 0.41 -0.48 -5.01 118.70 118.48 3ib4 s GLU 44 Ca 0.00 -0.25 -0.32 0.00 -0.41 0.00 0.00 54.97 53.99 3ib4 s GLU 44 Cb 0.00 -3.05 -0.12 0.00 -1.78 0.00 0.00 34.13 29.18 3ib4 s GLU 44 CO 0.00 0.69 1.72 1.03 -0.49 0.00 0.00 175.26 178.21 3ib4 s ARG 45 N -0.80 4.13 -0.39 1.61 0.52 -1.26 -0.62 118.95 122.13 3ib4 s ARG 45 Ca 0.13 2.60 -0.26 0.00 -0.52 0.00 0.00 55.73 57.69 3ib4 s ARG 45 Cb -0.12 -3.07 0.02 0.00 0.52 0.00 0.00 34.95 32.29 3ib4 s ARG 45 CO 0.03 -0.75 0.92 0.42 0.02 0.00 0.00 175.30 175.94 3ib4 s ILE 46 N 1.16 4.56 0.15 1.52 1.01 0.32 -4.87 121.20 125.07 3ib4 s ILE 46 Ca 0.75 1.10 -0.03 0.00 0.00 0.00 0.00 60.65 62.47 3ib4 s ILE 46 Cb -0.50 -4.35 -0.14 0.00 0.01 0.00 0.00 42.46 37.48 3ib4 s ILE 46 CO 0.32 -0.59 1.37 -0.33 0.00 0.00 0.00 174.94 175.71 3ib4 h GLU 47 N 8.59 0.40 -4.44 2.79 5.08 -1.93 -3.42 114.58 121.66 3ib4 h GLU 47 Ca -0.23 -0.38 -0.73 0.00 -1.00 0.00 0.00 59.36 57.02 3ib4 h GLU 47 Cb 1.08 0.10 -0.22 0.00 0.50 0.00 0.00 28.75 30.21 3ib4 h GLU 47 CO 0.99 1.04 -0.20 0.21 -1.00 0.00 0.00 179.01 180.04 3ib4 s LYS 48 N -3.43 3.02 -0.27 2.33 2.20 -1.26 -5.00 119.74 117.32 3ib4 s LYS 48 Ca -0.06 -1.30 0.02 0.00 -0.36 0.00 0.00 55.97 54.27 3ib4 s LYS 48 Cb 0.10 -4.16 0.07 0.00 -1.51 0.00 0.00 37.83 32.33 3ib4 s LYS 48 CO 0.85 -1.15 -0.02 0.08 -0.36 0.00 0.00 175.35 174.76 3ib4 s VAL 49 N 1.92 1.69 -0.39 4.02 1.01 -1.26 -4.96 120.40 122.43 3ib4 s VAL 49 Ca 0.07 -1.54 0.26 0.00 0.00 0.00 0.00 61.98 60.77 3ib4 s VAL 49 Cb -0.24 -2.03 0.33 0.00 0.00 0.00 0.00 36.38 34.44 3ib4 s VAL 49 CO 0.07 -0.27 1.73 -0.33 0.00 0.00 0.00 175.10 176.31 3ib4 h GLU 50 N 7.87 0.00 -4.29 2.72 4.39 -1.95 -3.45 114.58 119.88 3ib4 h GLU 50 Ca -0.15 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.05 3ib4 h GLU 50 Cb 1.05 0.00 -0.35 0.00 -0.10 0.00 0.00 28.75 29.35 3ib4 h GLU 50 CO 0.45 0.00 -0.80 -1.01 -1.16 0.00 0.00 179.01 176.49 3ib4 s HIS 51 N -3.29 1.32 -0.37 4.33 3.76 -0.60 -5.04 115.29 115.40 3ib4 s HIS 51 Ca 0.06 -0.55 0.03 0.00 -0.15 0.00 0.00 55.06 54.45 3ib4 s HIS 51 Cb 0.08 -1.07 0.16 0.00 1.11 0.00 0.00 32.58 32.86 3ib4 s HIS 51 CO 0.60 -0.37 0.40 0.45 -0.85 0.00 0.00 174.74 174.98 3ib4 s SER 52 N 1.21 0.86 -0.24 1.40 0.15 -1.26 -1.37 113.70 114.45 3ib4 s SER 52 Ca -0.05 -1.41 -0.08 0.00 0.70 0.00 0.00 55.95 55.11 3ib4 s SER 52 Cb -0.14 0.73 -0.04 0.00 -1.71 0.00 0.00 66.02 64.87 3ib4 s SER 52 CO -0.02 -0.26 0.10 -1.81 1.20 0.00 0.00 173.24 172.45 3ib4 s ASP 53 N 1.56 5.54 -0.06 5.45 1.01 0.23 -4.96 116.67 125.44 3ib4 s ASP 53 Ca 0.16 -0.07 0.03 0.00 0.71 0.00 0.00 52.55 53.39 3ib4 s ASP 53 Cb -0.14 -1.99 -0.02 0.00 1.01 0.00 0.00 42.92 41.77 3ib4 s ASP 53 CO -0.06 0.02 -0.16 -0.22 0.21 0.00 0.00 175.17 174.96 3ib4 s LEU 54 N 1.31 2.64 0.15 1.23 2.96 -1.26 -1.02 118.68 124.69 3ib4 s LEU 54 Ca 0.06 -0.26 -0.06 0.00 -0.22 0.00 0.00 54.13 53.65 3ib4 s LEU 54 Cb -0.15 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 44.99 3ib4 s LEU 54 CO 0.05 0.31 0.19 -0.94 -1.32 0.00 0.00 176.35 174.64 3ib4 s SER 55 N -0.50 0.15 0.11 3.68 1.04 -0.37 -5.00 113.70 112.80 3ib4 s SER 55 Ca 0.06 -1.01 0.05 0.00 0.48 0.00 0.00 55.95 55.53 3ib4 s SER 55 Cb -0.12 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 3ib4 s SER 55 CO 0.01 -0.83 -0.13 0.72 0.98 0.00 0.00 173.24 173.99 3ib4 s PHE 56 N -4.00 1.29 0.58 5.02 -0.71 -1.26 -0.70 117.98 118.20 3ib4 s PHE 56 Ca 0.20 -0.57 0.02 0.00 -1.04 0.00 0.00 56.93 55.55 3ib4 s PHE 56 Cb 0.05 -0.69 0.06 0.00 -1.21 0.00 0.00 43.02 41.24 3ib4 s PHE 56 CO 0.01 0.10 0.81 -1.54 -1.34 0.00 0.00 175.22 173.26 3ib4 s SER 57 N -2.35 5.05 0.48 1.98 1.04 -0.66 -4.96 113.70 114.27 3ib4 s SER 57 Ca 0.06 -0.25 0.17 0.00 0.48 0.00 0.00 55.95 56.41 3ib4 s SER 57 Cb -0.05 -0.48 1.18 0.00 0.10 0.00 0.00 66.02 66.76 3ib4 s SER 57 CO 0.02 -1.32 2.04 -0.65 0.98 0.00 0.00 173.24 174.32 3ib4 h PRO 58 N -0.02 0.19 -0.19 4.02 0.11 -2.02 -0.41 132.00 133.68 3ib4 h PRO 58 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3ib4 h PRO 58 Cb 1.29 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3ib4 h PRO 58 CO 0.47 0.13 0.00 -0.40 -0.21 0.00 0.00 178.00 177.99 3ib4 n ASP 59 N -4.47 1.11 0.00 -2.05 5.75 -1.26 -4.89 116.55 110.74 3ib4 n ASP 59 Ca 0.05 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.92 3ib4 n ASP 59 Cb 0.31 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 3ib4 n ASP 59 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ib4 n GLY 60 N 0.87 0.77 3.77 6.12 0.00 -0.16 -5.04 105.19 111.52 3ib4 n GLY 60 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 3ib4 n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ib4 s SER 61 N -2.58 5.94 0.09 1.61 0.01 -1.26 -4.80 113.70 112.71 3ib4 s SER 61 Ca 0.00 2.27 0.03 0.00 1.31 0.00 0.00 55.95 59.57 3ib4 s SER 61 Cb 0.00 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 3ib4 s SER 61 CO 0.00 -1.07 0.09 -0.36 0.41 0.00 0.00 173.24 172.30 3ib4 s PHE 62 N -1.62 3.19 -0.08 2.43 0.08 -0.49 -1.65 117.98 119.83 3ib4 s PHE 62 Ca 0.68 0.07 -0.01 0.00 0.12 0.00 0.00 56.93 57.79 3ib4 s PHE 62 Cb -0.27 -1.61 0.03 0.00 -0.57 0.00 0.00 43.02 40.59 3ib4 s PHE 62 CO 0.32 0.52 -0.04 0.71 -0.10 0.00 0.00 175.22 176.64 3ib4 s TYR 63 N -1.43 1.01 -0.13 0.36 2.02 0.12 -0.83 117.35 118.48 3ib4 s TYR 63 Ca 0.29 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.60 3ib4 s TYR 63 Cb -0.12 -0.96 0.02 0.00 -0.40 0.00 0.00 41.96 40.50 3ib4 s TYR 63 CO 0.22 -0.39 -0.13 -1.17 -1.57 0.00 0.00 175.55 172.52 3ib4 s LEU 64 N 1.74 1.58 -0.20 -1.29 1.98 0.16 -1.24 118.68 121.41 3ib4 s LEU 64 Ca 0.03 -0.42 -0.04 0.00 -2.89 0.00 0.00 54.13 50.81 3ib4 s LEU 64 Cb -0.13 -1.07 -0.02 0.00 0.66 0.00 0.00 46.19 45.64 3ib4 s LEU 64 CO -0.06 -0.05 -0.03 -0.22 -1.89 0.00 0.00 176.35 174.10 3ib4 s LEU 65 N 1.39 3.07 -0.16 -0.68 2.96 -0.19 -0.45 118.68 124.62 3ib4 s LEU 65 Ca 0.01 -0.28 -0.00 0.00 -0.22 0.00 0.00 54.13 53.64 3ib4 s LEU 65 Cb -0.13 -1.77 0.04 0.00 0.50 0.00 0.00 46.19 44.82 3ib4 s LEU 65 CO -0.07 0.05 -0.06 -0.47 -1.32 0.00 0.00 176.35 174.47 3ib4 s TYR 66 N 1.07 1.75 0.04 5.38 5.04 -0.31 -0.60 117.35 129.72 3ib4 s TYR 66 Ca 0.01 -1.09 -0.21 0.00 -2.44 0.00 0.00 57.07 53.34 3ib4 s TYR 66 Cb -0.15 -1.34 0.05 0.00 0.35 0.00 0.00 41.96 40.87 3ib4 s TYR 66 CO 0.01 -0.62 0.48 1.52 -1.34 0.00 0.00 175.55 175.60 3ib4 s TYR 67 N 1.62 -0.37 0.06 4.97 -0.85 -0.47 -0.60 117.35 121.71 3ib4 s TYR 67 Ca 0.01 0.42 -0.26 0.00 -0.52 0.00 0.00 57.07 56.72 3ib4 s TYR 67 Cb -0.15 0.29 0.08 0.00 0.38 0.00 0.00 41.96 42.57 3ib4 s TYR 67 CO -0.08 -0.60 0.73 -0.08 -1.52 0.00 0.00 175.55 173.99 3ib4 s THR 68 N -2.30 0.00 0.45 -3.49 -1.32 -0.78 -1.55 115.64 106.64 3ib4 s THR 68 Ca -0.06 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.18 3ib4 s THR 68 Cb -0.01 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.91 3ib4 s THR 68 CO -0.01 0.00 1.25 -1.61 -2.21 0.00 0.00 174.62 172.05 3ib4 s GLU 69 N -3.11 3.74 0.26 7.08 8.01 -1.26 -1.04 118.70 132.38 3ib4 s GLU 69 Ca 0.01 2.01 -0.15 0.00 0.01 0.00 0.00 54.97 56.85 3ib4 s GLU 69 Cb -0.01 -2.53 0.00 0.00 -4.31 0.00 0.00 34.13 27.28 3ib4 s GLU 69 CO -0.08 -0.63 0.56 -0.59 0.01 0.00 0.00 175.26 174.52 3ib4 s PHE 70 N -1.38 0.21 -0.49 1.61 -0.71 0.00 -4.83 117.98 112.40 3ib4 s PHE 70 Ca 0.62 -0.60 0.04 0.00 -1.04 0.00 0.00 56.93 55.94 3ib4 s PHE 70 Cb -0.35 0.35 0.16 0.00 -1.21 0.00 0.00 43.02 41.98 3ib4 s PHE 70 CO 0.43 -1.08 0.36 0.95 -1.34 0.00 0.00 175.22 174.54 3ib4 s THR 71 N -3.93 1.10 0.40 -4.49 -4.23 -1.26 -4.27 115.64 98.96 3ib4 s THR 71 Ca 0.19 -3.01 -0.26 0.00 -1.18 0.00 0.00 61.69 57.43 3ib4 s THR 71 Cb -0.02 -1.75 -0.09 0.00 1.34 0.00 0.00 72.50 71.98 3ib4 s THR 71 CO 0.09 -1.13 1.32 -2.16 -0.54 0.00 0.00 174.62 172.20 3ib4 s PRO 72 N -0.24 4.00 0.22 3.99 0.04 -1.26 -5.04 135.00 136.70 3ib4 s PRO 72 Ca 0.28 2.19 0.09 0.00 0.04 0.00 0.00 61.00 63.61 3ib4 s PRO 72 Cb -0.03 -2.79 -0.05 0.00 0.04 0.00 0.00 34.50 31.67 3ib4 s PRO 72 CO -0.16 -0.48 -0.17 0.95 0.04 0.00 0.00 177.00 177.18 3ib4 s THR 73 N -1.24 1.97 0.44 1.26 -4.23 -1.26 -5.05 115.64 107.53 3ib4 s THR 73 Ca 0.56 -2.20 0.38 0.00 -1.18 0.00 0.00 61.69 59.25 3ib4 s THR 73 Cb -0.39 -2.07 0.38 0.00 1.34 0.00 0.00 72.50 71.76 3ib4 s THR 73 CO 0.50 -0.47 2.16 -0.33 -0.54 0.00 0.00 174.62 175.94 3ib4 h GLU 74 N 2.65 0.00 0.00 3.99 3.07 -2.05 -1.59 114.58 120.64 3ib4 h GLU 74 Ca -0.40 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.46 3ib4 h GLU 74 Cb 1.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 3ib4 h GLU 74 CO 0.59 0.00 -0.65 1.57 -1.40 0.00 0.00 179.01 179.11 3ib4 h LYS 75 N 0.00 0.00 -5.76 2.33 2.10 -2.02 -3.47 116.57 109.76 3ib4 h LYS 75 Ca 0.00 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 58.07 3ib4 h LYS 75 Cb 0.05 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.30 3ib4 h LYS 75 CO 0.00 0.00 -0.14 -0.51 -2.00 0.00 0.00 179.45 176.80 3ib4 s ASP 76 N -5.36 6.69 -0.22 7.07 1.01 -0.60 -5.05 116.67 120.22 3ib4 s ASP 76 Ca 0.03 0.83 -0.08 0.00 0.71 0.00 0.00 52.55 54.04 3ib4 s ASP 76 Cb 0.09 -2.28 -0.04 0.00 1.01 0.00 0.00 42.92 41.70 3ib4 s ASP 76 CO 0.74 0.03 0.08 -0.70 0.21 0.00 0.00 175.17 175.53 3ib4 s GLU 77 N 0.49 3.85 0.21 8.23 2.12 -1.26 -4.82 118.70 127.52 3ib4 s GLU 77 Ca 0.26 -0.39 0.07 0.00 0.36 0.00 0.00 54.97 55.26 3ib4 s GLU 77 Cb -0.15 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.89 3ib4 s GLU 77 CO 0.10 0.04 0.12 0.71 -0.54 0.00 0.00 175.26 175.69 3ib4 s TYR 78 N 1.03 3.03 0.00 5.30 1.51 -1.26 -0.28 117.35 126.67 3ib4 s TYR 78 Ca 0.05 -0.10 0.00 0.00 -1.01 0.00 0.00 57.07 56.01 3ib4 s TYR 78 Cb -0.14 -1.40 0.00 0.00 -0.11 0.00 0.00 41.96 40.31 3ib4 s TYR 78 CO 0.03 0.53 0.00 0.00 -1.11 0.00 0.00 175.55 175.01 3ib4 n ALA 79 N -0.71 0.00 -3.46 3.71 0.00 -0.69 -0.59 120.51 118.77 3ib4 n ALA 79 Ca -0.08 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.37 3ib4 n ALA 79 Cb 0.57 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.97 3ib4 n ALA 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3ib4 s ARG 81 N 4.42 0.22 -0.06 0.00 3.52 0.30 -0.37 118.95 126.97 3ib4 s ARG 81 Ca 0.00 0.48 0.05 0.00 -0.13 0.00 0.00 55.73 56.13 3ib4 s ARG 81 Cb 0.00 0.20 -0.00 0.00 -1.56 0.00 0.00 34.95 33.58 3ib4 s ARG 81 CO 0.00 -0.06 -0.21 0.08 -0.81 0.00 0.00 175.30 174.29 3ib4 s VAL 82 N 1.84 1.78 -0.05 7.11 1.01 0.21 -1.06 120.40 131.25 3ib4 s VAL 82 Ca -0.05 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.08 3ib4 s VAL 82 Cb -0.04 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 3ib4 s VAL 82 CO -0.15 0.50 -0.18 0.20 0.00 0.00 0.00 175.10 175.47 3ib4 s ASN 83 N 0.08 3.70 0.07 3.32 0.01 -0.08 -0.88 114.94 121.14 3ib4 s ASN 83 Ca -0.08 -0.30 -0.26 0.00 -0.71 0.00 0.00 52.86 51.51 3ib4 s ASN 83 Cb -0.14 -0.78 0.07 0.00 0.41 0.00 0.00 41.25 40.81 3ib4 s ASN 83 CO 0.04 0.32 0.61 -2.28 -1.51 0.00 0.00 177.10 174.28 3ib4 s HIS 84 N -0.57 -0.56 0.54 2.20 5.65 -1.26 -1.46 115.29 119.84 3ib4 s HIS 84 Ca 0.08 0.62 0.42 0.00 0.25 0.00 0.00 55.06 56.43 3ib4 s HIS 84 Cb -0.11 0.47 2.20 0.00 -1.18 0.00 0.00 32.58 33.96 3ib4 s HIS 84 CO 0.01 -0.73 2.29 -0.39 -0.65 0.00 0.00 174.74 175.26 3ib4 h VAL 85 N 2.47 0.01 0.00 0.89 -1.51 -1.94 -0.34 116.25 115.82 3ib4 h VAL 85 Ca -0.31 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 3ib4 h VAL 85 Cb 1.24 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 31.51 3ib4 h VAL 85 CO 0.39 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.08 3ib4 n THR 86 N -3.09 0.02 -3.92 7.19 -2.24 -1.26 -4.74 114.28 106.23 3ib4 n THR 86 Ca -0.02 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.41 3ib4 n THR 86 Cb 0.12 -0.51 -0.14 0.00 -2.10 0.00 0.00 70.33 67.70 3ib4 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3ib4 s LEU 87 N -2.83 3.17 0.41 3.22 1.43 -0.14 -4.98 118.68 118.97 3ib4 s LEU 87 Ca 0.20 -0.72 0.27 0.00 -1.03 0.00 0.00 54.13 52.85 3ib4 s LEU 87 Cb 0.19 -1.71 0.86 0.00 0.03 0.00 0.00 46.19 45.57 3ib4 s LEU 87 CO 0.50 -0.11 1.78 0.77 0.23 0.00 0.00 176.35 179.52 3ib4 h SER 88 N 8.07 0.00 -4.55 2.29 4.64 -1.85 -3.42 113.55 118.73 3ib4 h SER 88 Ca -0.35 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.73 3ib4 h SER 88 Cb 1.13 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.06 3ib4 h SER 88 CO 0.59 0.00 -0.70 0.00 -0.87 0.00 0.00 176.83 175.85 3ib4 s GLN 89 N -3.36 0.83 0.32 4.77 -2.07 -1.26 -5.12 119.66 113.77 3ib4 s GLN 89 Ca 0.05 -1.28 -0.29 0.00 -1.82 0.00 0.00 55.36 52.02 3ib4 s GLN 89 Cb 0.08 -0.27 -0.12 0.00 -1.09 0.00 0.00 33.01 31.61 3ib4 s GLN 89 CO 0.57 0.00 1.40 -2.30 -1.32 0.00 0.00 175.29 173.64 3ib4 n PRO 90 N 0.11 2.31 -3.46 9.60 -0.02 -1.26 -4.93 135.00 137.35 3ib4 n PRO 90 Ca -0.13 0.81 -0.38 0.00 -2.02 0.00 0.00 63.50 61.79 3ib4 n PRO 90 Cb 0.60 -2.47 -0.08 0.00 -0.02 0.00 0.00 33.50 31.53 3ib4 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3ib4 s LYS 91 N -1.46 4.14 -0.19 -0.52 2.20 -0.06 -4.92 119.74 118.94 3ib4 s LYS 91 Ca 0.58 0.07 -0.02 0.00 -0.36 0.00 0.00 55.97 56.25 3ib4 s LYS 91 Cb -0.55 -3.54 -0.00 0.00 -1.51 0.00 0.00 37.83 32.23 3ib4 s LYS 91 CO 0.58 -0.01 -0.10 0.42 -0.36 0.00 0.00 175.35 175.88 3ib4 s ILE 92 N 1.25 2.97 -0.21 5.43 1.01 -1.26 -0.62 121.20 129.76 3ib4 s ILE 92 Ca 0.16 -0.65 -0.01 0.00 0.00 0.00 0.00 60.65 60.16 3ib4 s ILE 92 Cb -0.14 -2.30 0.02 0.00 0.01 0.00 0.00 42.46 40.04 3ib4 s ILE 92 CO 0.07 0.48 -0.13 -0.69 0.00 0.00 0.00 174.94 174.67 3ib4 s VAL 93 N 1.15 2.55 0.24 2.92 1.01 -1.26 -5.02 120.40 121.98 3ib4 s VAL 93 Ca 0.01 -0.90 -0.26 0.00 0.00 0.00 0.00 61.98 60.83 3ib4 s VAL 93 Cb -0.14 -2.17 -0.09 0.00 0.00 0.00 0.00 36.38 33.97 3ib4 s VAL 93 CO -0.03 0.40 0.87 -0.54 0.00 0.00 0.00 175.10 175.80 3ib4 s LYS 94 N 1.33 4.61 0.03 2.72 1.02 -1.26 -4.39 119.74 123.79 3ib4 s LYS 94 Ca 0.03 1.26 -0.30 0.00 0.02 0.00 0.00 55.97 56.98 3ib4 s LYS 94 Cb -0.15 -3.07 -0.05 0.00 -0.52 0.00 0.00 37.83 34.05 3ib4 s LYS 94 CO -0.08 0.44 1.20 -0.46 -0.92 0.00 0.00 175.35 175.53 3ib4 s TRP 95 N -1.36 3.36 -0.32 3.18 -0.00 0.24 -4.90 118.94 119.14 3ib4 s TRP 95 Ca 0.43 1.26 -0.21 0.00 -0.00 0.00 0.00 56.10 57.58 3ib4 s TRP 95 Cb -0.22 -3.43 -0.00 0.00 -0.00 0.00 0.00 33.47 29.82 3ib4 s TRP 95 CO 0.26 -1.32 0.67 0.34 -0.00 0.00 0.00 176.95 176.91 3ib4 s ASP 96 N 1.20 6.51 0.00 5.86 -1.08 -1.26 -4.68 116.67 123.22 3ib4 s ASP 96 Ca 0.58 0.39 0.09 0.00 -0.52 0.00 0.00 52.55 53.08 3ib4 s ASP 96 Cb -0.28 -2.35 0.40 0.00 -1.46 0.00 0.00 42.92 39.23 3ib4 s ASP 96 CO 0.27 -0.56 1.23 -2.11 0.52 0.00 0.00 175.17 174.52 3ib4 n ARG 97 N 6.03 0.05 0.00 4.34 1.85 -1.26 -0.50 116.66 127.18 3ib4 n ARG 97 Ca 0.00 0.29 0.14 0.00 -1.00 0.00 0.00 57.85 57.28 3ib4 n ARG 97 Cb 0.49 -1.50 0.58 0.00 -1.05 0.00 0.00 32.46 30.97 3ib4 n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3ib4 n ASP 98 N -1.41 0.10 -0.31 2.89 8.00 -1.26 -5.04 116.55 119.51 3ib4 n ASP 98 Ca 0.03 0.27 0.04 0.00 0.71 0.00 0.00 54.79 55.84 3ib4 n ASP 98 Cb 0.09 -0.34 0.03 0.00 -0.02 0.00 0.00 41.12 40.88 3ib4 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04