#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ba4 n PHE 1 N 0.00 1.72 -2.75 -1.40 7.35 -1.26 -5.01 117.46 116.11 3ba4 n PHE 1 Ca 0.00 -1.96 -0.42 0.00 -0.76 0.00 0.00 57.45 54.30 3ba4 n PHE 1 Cb 0.00 -0.28 -0.03 0.00 0.35 0.00 0.00 39.48 39.52 3ba4 n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 3ba4 s ASN 2 N -3.49 7.07 0.13 -2.13 0.01 -1.26 -5.02 114.94 110.25 3ba4 s ASN 2 Ca 0.41 1.32 0.06 0.00 -0.71 0.00 0.00 52.86 53.94 3ba4 s ASN 2 Cb 0.38 -2.51 -0.04 0.00 0.41 0.00 0.00 41.25 39.49 3ba4 s ASN 2 CO -0.02 -0.53 0.00 -0.76 -1.51 0.00 0.00 177.10 174.29 3ba4 s LEU 3 N 2.60 3.40 0.65 0.60 1.43 -1.26 -1.26 118.68 124.84 3ba4 s LEU 3 Ca 0.43 -0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 53.14 3ba4 s LEU 3 Cb -0.16 -2.09 -0.02 0.00 0.03 0.00 0.00 46.19 43.94 3ba4 s LEU 3 CO 0.11 0.13 1.05 -2.16 0.23 0.00 0.00 176.35 175.72 3ba4 s PRO 4 N -2.61 3.33 0.00 1.29 0.04 -1.26 -4.60 135.00 131.19 3ba4 s PRO 4 Ca 0.26 0.64 0.00 0.00 0.04 0.00 0.00 61.00 61.95 3ba4 s PRO 4 Cb -0.11 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.38 3ba4 s PRO 4 CO 0.18 -0.74 0.00 -0.35 0.04 0.00 0.00 177.00 176.13 3ba4 n PRO 5 N -2.84 1.82 -0.75 0.56 -0.04 -1.26 -4.96 135.00 127.52 3ba4 n PRO 5 Ca 0.06 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.62 3ba4 n PRO 5 Cb 0.55 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.97 3ba4 n PRO 5 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ba4 n GLY 6 N 5.00 -2.76 0.00 0.55 0.00 -1.26 -5.03 105.19 101.69 3ba4 n GLY 6 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 3ba4 n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ba4 n ASN 7 N -3.30 0.54 -0.70 1.61 0.23 -1.26 -5.06 115.26 107.31 3ba4 n ASN 7 Ca -0.04 -0.76 0.08 0.00 -0.53 0.00 0.00 54.58 53.34 3ba4 n ASN 7 Cb 0.35 0.00 0.22 0.00 -2.08 0.00 0.00 39.78 38.28 3ba4 n ASN 7 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3ba4 n TYR 8 N 0.00 0.71 -0.08 -2.53 4.01 -1.26 -4.72 117.16 113.28 3ba4 n TYR 8 Ca 0.00 -0.86 -0.02 0.00 -0.16 0.00 0.00 57.90 56.86 3ba4 n TYR 8 Cb 0.00 -0.25 0.22 0.00 -0.31 0.00 0.00 39.34 38.99 3ba4 n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3ba4 h LYS 9 N 1.45 0.72 -5.85 -0.72 1.57 -1.97 -3.45 116.57 108.32 3ba4 h LYS 9 Ca 0.00 -0.16 -0.51 0.00 -1.87 0.00 0.00 60.65 58.11 3ba4 h LYS 9 Cb 1.28 -0.10 -0.16 0.00 0.08 0.00 0.00 32.23 33.33 3ba4 h LYS 9 CO 0.16 0.69 -0.76 0.15 -0.57 0.00 0.00 179.45 179.12 3ba4 s LYS 10 N -5.07 1.37 0.94 3.15 1.02 -1.26 -5.13 119.74 114.76 3ba4 s LYS 10 Ca -0.09 -1.54 -0.11 0.00 0.02 0.00 0.00 55.97 54.25 3ba4 s LYS 10 Cb 0.15 -1.33 0.16 0.00 -0.52 0.00 0.00 37.83 36.29 3ba4 s LYS 10 CO 0.79 0.25 1.09 -1.25 -0.92 0.00 0.00 175.35 175.31 3ba4 s PRO 11 N -3.25 0.87 0.15 -1.68 0.04 -1.26 -4.74 135.00 125.13 3ba4 s PRO 11 Ca 0.21 0.96 -0.09 0.00 0.04 0.00 0.00 61.00 62.11 3ba4 s PRO 11 Cb -0.04 -1.75 -0.01 0.00 0.04 0.00 0.00 34.50 32.74 3ba4 s PRO 11 CO 0.08 -2.55 0.27 0.15 0.04 0.00 0.00 177.00 175.00 3ba4 s LYS 12 N -4.80 1.09 -0.12 4.56 -0.14 0.79 -4.11 119.74 117.01 3ba4 s LYS 12 Ca 0.65 -1.12 -0.06 0.00 -1.36 0.00 0.00 55.97 54.08 3ba4 s LYS 12 Cb -0.20 0.37 -0.04 0.00 -1.68 0.00 0.00 37.83 36.29 3ba4 s LYS 12 CO 0.58 -0.39 0.11 -0.51 -0.76 0.00 0.00 175.35 174.38 3ba4 s LEU 13 N -2.94 4.21 -0.58 3.17 1.43 0.85 -1.08 118.68 123.73 3ba4 s LEU 13 Ca 0.14 0.38 -0.13 0.00 -1.03 0.00 0.00 54.13 53.49 3ba4 s LEU 13 Cb 0.04 -2.02 0.15 0.00 0.03 0.00 0.00 46.19 44.38 3ba4 s LEU 13 CO -0.03 0.38 0.51 -0.76 0.23 0.00 0.00 176.35 176.69 3ba4 s LEU 14 N -0.87 6.14 -0.19 1.79 1.43 -1.26 0.16 118.68 125.88 3ba4 s LEU 14 Ca 0.14 -2.05 -0.21 0.00 -1.03 0.00 0.00 54.13 50.98 3ba4 s LEU 14 Cb -0.12 -2.14 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 3ba4 s LEU 14 CO 0.03 -0.74 0.63 -0.47 0.23 0.00 0.00 176.35 176.04 3ba4 s TYR 15 N 1.18 3.39 -0.23 0.29 5.04 -0.64 -0.96 117.35 125.42 3ba4 s TYR 15 Ca 0.07 0.95 -0.16 0.00 -2.44 0.00 0.00 57.07 55.50 3ba4 s TYR 15 Cb -0.25 -2.80 -0.04 0.00 0.35 0.00 0.00 41.96 39.23 3ba4 s TYR 15 CO -0.01 -0.15 0.39 0.00 -1.34 0.00 0.00 175.55 174.44 3ba4 n SER 17 N 4.80 0.00 0.33 0.00 3.41 -0.98 -0.79 113.62 120.38 3ba4 n SER 17 Ca -0.08 0.34 -0.15 0.00 -0.26 0.00 0.00 58.87 58.72 3ba4 n SER 17 Cb 0.51 -0.43 -0.08 0.00 -0.26 0.00 0.00 64.21 63.95 3ba4 n SER 17 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 3ba4 h ASN 18 N 0.00 -0.72 -0.00 4.04 -1.24 -1.81 -3.37 115.58 112.47 3ba4 h ASN 18 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.00 3ba4 h ASN 18 Cb 0.29 0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.53 3ba4 h ASN 18 CO 0.00 -0.37 -0.09 0.61 -1.29 0.00 0.00 177.43 176.29 3ba4 n GLY 19 N -0.70 -0.32 1.67 1.57 0.00 -1.24 -4.83 105.19 101.35 3ba4 n GLY 19 Ca -0.12 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3ba4 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ba4 n GLY 20 N 0.64 0.54 3.90 -0.02 0.00 0.03 -5.04 105.19 105.24 3ba4 n GLY 20 Ca 0.02 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.88 3ba4 n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ba4 s HIS 21 N -2.00 3.48 -0.02 1.61 3.76 -1.18 -4.63 115.29 116.31 3ba4 s HIS 21 Ca 0.00 0.52 -0.11 0.00 -0.15 0.00 0.00 55.06 55.33 3ba4 s HIS 21 Cb 0.00 -1.98 -0.05 0.00 1.11 0.00 0.00 32.58 31.66 3ba4 s HIS 21 CO 0.00 0.43 0.31 -0.06 -0.85 0.00 0.00 174.74 174.56 3ba4 s PHE 22 N -1.69 3.65 0.26 1.40 0.08 -0.07 0.05 117.98 121.67 3ba4 s PHE 22 Ca 0.41 0.77 -0.30 0.00 0.12 0.00 0.00 56.93 57.93 3ba4 s PHE 22 Cb -0.12 -2.12 -0.10 0.00 -0.57 0.00 0.00 43.02 40.11 3ba4 s PHE 22 CO 0.25 0.65 1.31 -1.17 -0.10 0.00 0.00 175.22 176.17 3ba4 s LEU 23 N -1.28 4.43 -0.03 -0.37 2.96 -0.14 -1.46 118.68 122.79 3ba4 s LEU 23 Ca 0.23 2.54 0.02 0.00 -0.22 0.00 0.00 54.13 56.70 3ba4 s LEU 23 Cb -0.14 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 42.92 3ba4 s LEU 23 CO 0.12 -0.52 -0.09 -0.60 -1.32 0.00 0.00 176.35 173.94 3ba4 s ARG 24 N -0.89 0.98 -0.29 1.98 3.52 0.95 -4.47 118.95 120.72 3ba4 s ARG 24 Ca 0.53 -0.29 0.03 0.00 -0.13 0.00 0.00 55.73 55.87 3ba4 s ARG 24 Cb -0.38 -0.91 0.07 0.00 -1.56 0.00 0.00 34.95 32.17 3ba4 s ARG 24 CO 0.45 0.10 -0.04 0.42 -0.81 0.00 0.00 175.30 175.41 3ba4 s ILE 25 N 0.26 2.28 0.51 4.11 1.01 -0.93 -1.66 121.20 126.78 3ba4 s ILE 25 Ca -0.04 -1.88 -0.20 0.00 0.00 0.00 0.00 60.65 58.52 3ba4 s ILE 25 Cb -0.09 -2.47 -0.07 0.00 0.01 0.00 0.00 42.46 39.84 3ba4 s ILE 25 CO 0.01 -0.25 1.10 -0.62 0.00 0.00 0.00 174.94 175.18 3ba4 s ASP 26 N 1.06 6.00 0.58 3.58 2.15 -0.20 -4.85 116.67 125.00 3ba4 s ASP 26 Ca -0.01 2.12 0.28 0.00 0.43 0.00 0.00 52.55 55.36 3ba4 s ASP 26 Cb -0.20 -2.58 1.57 0.00 -0.30 0.00 0.00 42.92 41.42 3ba4 s ASP 26 CO -0.06 -1.02 2.03 -0.65 -0.17 0.00 0.00 175.17 175.30 3ba4 h PRO 27 N 1.47 0.00 -0.00 4.34 0.11 -1.98 0.83 132.00 136.77 3ba4 h PRO 27 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3ba4 h PRO 27 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3ba4 h PRO 27 CO 0.58 0.00 -0.00 -0.40 -0.21 0.00 0.00 178.00 177.97 3ba4 n ASP 28 N -3.84 0.01 0.00 -2.05 5.68 -1.26 -4.89 116.55 110.19 3ba4 n ASP 28 Ca 0.04 -0.77 0.00 0.00 -0.50 0.00 0.00 54.79 53.56 3ba4 n ASP 28 Cb 0.44 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 3ba4 n ASP 28 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ba4 n GLY 29 N 1.08 0.40 3.82 6.12 0.00 0.29 -4.98 105.19 111.92 3ba4 n GLY 29 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 3ba4 n GLY 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ba4 s THR 30 N -2.13 4.48 -0.04 2.61 -4.23 -1.26 -0.79 115.64 114.28 3ba4 s THR 30 Ca 0.00 1.33 0.05 0.00 -1.18 0.00 0.00 61.69 61.89 3ba4 s THR 30 Cb 0.00 -3.67 -0.01 0.00 1.34 0.00 0.00 72.50 70.16 3ba4 s THR 30 CO 0.00 -0.18 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.02 3ba4 s VAL 31 N -2.00 1.53 0.00 2.29 1.01 -1.26 -1.03 120.40 120.95 3ba4 s VAL 31 Ca 0.56 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.75 3ba4 s VAL 31 Cb -0.11 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 34.96 3ba4 s VAL 31 CO 0.16 0.44 0.00 -0.90 0.00 0.00 0.00 175.10 174.80 3ba4 n ASP 32 N 2.98 0.00 -4.17 3.32 5.75 -0.67 -4.55 116.55 119.21 3ba4 n ASP 32 Ca -0.17 -0.15 -0.17 0.00 -0.01 0.00 0.00 54.79 54.29 3ba4 n ASP 32 Cb 0.53 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.50 3ba4 n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3ba4 s GLY 33 N -0.25 0.85 0.04 6.12 0.00 -0.12 -0.04 107.32 113.93 3ba4 s GLY 33 Ca 0.00 -1.04 0.02 0.00 0.00 0.00 0.00 44.72 43.70 3ba4 s GLY 33 CO 0.00 -1.08 -0.07 -1.08 0.00 0.00 0.00 173.10 170.88 3ba4 s THR 34 N -1.53 0.45 -1.38 0.90 -1.32 -0.54 -4.78 115.64 107.43 3ba4 s THR 34 Ca -0.01 -0.99 0.26 0.00 -1.21 0.00 0.00 61.69 59.74 3ba4 s THR 34 Cb -0.08 -0.52 0.13 0.00 -1.51 0.00 0.00 72.50 70.51 3ba4 s THR 34 CO 0.02 -0.38 1.48 0.54 -2.21 0.00 0.00 174.62 174.07 3ba4 n ARG 35 N 1.58 0.43 -2.42 7.08 1.74 -1.26 -0.89 116.66 122.91 3ba4 n ARG 35 Ca -0.22 -0.25 -0.41 0.00 -0.77 0.00 0.00 57.85 56.19 3ba4 n ARG 35 Cb 0.55 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.47 3ba4 n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3ba4 s ASP 36 N -2.75 6.11 0.00 0.55 2.15 -1.26 -4.88 116.67 116.60 3ba4 s ASP 36 Ca 0.18 0.11 0.15 0.00 0.43 0.00 0.00 52.55 53.41 3ba4 s ASP 36 Cb 0.18 -2.55 0.66 0.00 -0.30 0.00 0.00 42.92 40.91 3ba4 s ASP 36 CO 0.61 -1.76 1.48 -1.14 -0.17 0.00 0.00 175.17 174.19 3ba4 n ARG 37 N 8.83 0.02 0.00 4.34 0.63 -1.26 -2.10 116.66 127.12 3ba4 n ARG 37 Ca 0.10 0.23 0.14 0.00 -0.92 0.00 0.00 57.85 57.40 3ba4 n ARG 37 Cb 0.49 -1.50 0.49 0.00 0.45 0.00 0.00 32.46 32.39 3ba4 n ARG 37 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3ba4 n SER 38 N -1.48 0.95 -4.77 6.15 3.41 -1.26 -4.90 113.62 111.72 3ba4 n SER 38 Ca 0.04 -0.95 -0.41 0.00 -0.26 0.00 0.00 58.87 57.29 3ba4 n SER 38 Cb 0.17 0.05 -0.01 0.00 -0.26 0.00 0.00 64.21 64.16 3ba4 n SER 38 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ba4 s ASP 39 N -2.36 6.39 0.00 4.04 -1.08 -0.89 -4.90 116.67 117.86 3ba4 s ASP 39 Ca 0.29 2.98 0.15 0.00 -0.52 0.00 0.00 52.55 55.46 3ba4 s ASP 39 Cb 0.20 -2.65 0.45 0.00 -1.46 0.00 0.00 42.92 39.46 3ba4 s ASP 39 CO 0.46 -0.87 1.37 0.00 0.52 0.00 0.00 175.17 176.65 3ba4 n GLN 40 N 1.19 2.03 -0.36 4.34 1.13 -1.26 -4.07 117.38 120.38 3ba4 n GLN 40 Ca 0.04 -1.59 0.08 0.00 -1.94 0.00 0.00 57.00 53.59 3ba4 n GLN 40 Cb 0.39 -1.37 0.18 0.00 0.11 0.00 0.00 30.24 29.55 3ba4 n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3ba4 n HIS 41 N 0.79 0.00 0.19 1.08 8.25 -1.26 -4.56 115.22 119.71 3ba4 n HIS 41 Ca 0.16 -1.26 0.02 0.00 -0.26 0.00 0.00 57.72 56.37 3ba4 n HIS 41 Cb 0.39 -0.20 0.01 0.00 1.12 0.00 0.00 29.99 31.30 3ba4 n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3ba4 n ILE 42 N -1.26 0.00 -2.72 1.59 -5.35 -1.26 -2.18 119.36 108.19 3ba4 n ILE 42 Ca 0.18 -0.47 -0.43 0.00 -0.27 0.00 0.00 62.75 61.76 3ba4 n ILE 42 Cb 0.67 1.07 -0.03 0.00 -1.74 0.00 0.00 39.64 39.61 3ba4 n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3ba4 s GLN 43 N -0.70 4.11 0.07 6.28 1.11 -1.26 -4.46 119.66 124.80 3ba4 s GLN 43 Ca 0.04 1.05 0.10 0.00 0.01 0.00 0.00 55.36 56.56 3ba4 s GLN 43 Cb 0.04 -3.70 -0.03 0.00 -1.01 0.00 0.00 33.01 28.30 3ba4 s GLN 43 CO 0.09 -0.77 -0.27 -0.51 0.01 0.00 0.00 175.29 173.85 3ba4 s LEU 44 N 3.36 2.22 -0.21 2.90 1.43 -0.24 -1.43 118.68 126.71 3ba4 s LEU 44 Ca 0.42 -0.64 -0.02 0.00 -1.03 0.00 0.00 54.13 52.86 3ba4 s LEU 44 Cb -0.13 -1.27 0.00 0.00 0.03 0.00 0.00 46.19 44.82 3ba4 s LEU 44 CO 0.12 0.23 -0.09 -1.58 0.23 0.00 0.00 176.35 175.26 3ba4 s GLN 45 N -1.50 3.25 0.13 1.70 2.00 0.16 -0.15 119.66 125.24 3ba4 s GLN 45 Ca 0.12 -0.69 -0.01 0.00 -2.00 0.00 0.00 55.36 52.78 3ba4 s GLN 45 Cb -0.10 -2.86 -0.05 0.00 0.80 0.00 0.00 33.01 30.80 3ba4 s GLN 45 CO 0.03 -0.20 0.32 -0.51 -0.50 0.00 0.00 175.29 174.43 3ba4 s LEU 46 N 1.42 4.29 -0.05 3.68 1.02 -1.26 -1.28 118.68 126.51 3ba4 s LEU 46 Ca 0.06 0.40 -0.07 0.00 0.02 0.00 0.00 54.13 54.53 3ba4 s LEU 46 Cb -0.14 -3.12 0.01 0.00 0.02 0.00 0.00 46.19 42.96 3ba4 s LEU 46 CO -0.07 0.07 0.19 -0.94 0.02 0.00 0.00 176.35 175.62 3ba4 s SER 47 N -2.72 -0.13 -0.22 2.29 1.04 -0.88 -4.78 113.70 108.30 3ba4 s SER 47 Ca 0.38 0.20 -0.17 0.00 0.48 0.00 0.00 55.95 56.84 3ba4 s SER 47 Cb -0.12 0.34 -0.04 0.00 0.10 0.00 0.00 66.02 66.30 3ba4 s SER 47 CO 0.27 -0.18 0.44 0.00 0.98 0.00 0.00 173.24 174.75 3ba4 s ALA 48 N -0.42 3.56 -0.18 5.32 0.00 -1.26 -1.50 121.76 127.28 3ba4 s ALA 48 Ca -0.05 -0.56 0.19 0.00 0.00 0.00 0.00 51.96 51.54 3ba4 s ALA 48 Cb -0.03 -2.73 -0.05 0.00 0.00 0.00 0.00 23.12 20.31 3ba4 s ALA 48 CO 0.01 -0.46 0.98 1.49 0.00 0.00 0.00 175.76 177.78 3ba4 h GLU 49 N 7.62 0.00 -3.32 0.00 4.22 -1.30 -3.47 114.58 118.33 3ba4 h GLU 49 Ca -0.34 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.06 3ba4 h GLU 49 Cb 1.16 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.29 3ba4 h GLU 49 CO 0.71 0.16 -0.01 -1.12 -2.18 0.00 0.00 179.01 176.57 3ba4 s SER 50 N -5.65 -0.29 0.08 1.04 0.01 -1.20 -5.03 113.70 102.66 3ba4 s SER 50 Ca -0.01 -0.32 -0.31 0.00 1.31 0.00 0.00 55.95 56.62 3ba4 s SER 50 Cb 0.09 0.52 -0.10 0.00 0.21 0.00 0.00 66.02 66.74 3ba4 s SER 50 CO 0.79 -0.92 1.86 -0.69 0.41 0.00 0.00 173.24 174.70 3ba4 s VAL 51 N -3.82 2.76 0.00 3.43 1.01 -1.26 -1.06 120.40 121.46 3ba4 s VAL 51 Ca 0.04 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.11 3ba4 s VAL 51 Cb 0.01 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.34 3ba4 s VAL 51 CO -0.10 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.61 3ba4 n GLY 52 N 4.33 1.28 3.24 4.51 0.00 -1.26 -5.02 105.19 112.26 3ba4 n GLY 52 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 3ba4 n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ba4 s GLU 53 N -0.23 3.09 0.26 1.61 2.02 -0.22 -0.85 118.70 124.38 3ba4 s GLU 53 Ca 0.00 -0.81 0.09 0.00 0.02 0.00 0.00 54.97 54.27 3ba4 s GLU 53 Cb 0.00 -2.95 -0.05 0.00 0.10 0.00 0.00 34.13 31.22 3ba4 s GLU 53 CO 0.00 -0.29 -0.13 0.14 0.02 0.00 0.00 175.26 175.00 3ba4 s VAL 54 N 1.39 1.97 0.05 2.63 -7.23 0.76 -0.75 120.40 119.22 3ba4 s VAL 54 Ca 0.03 -2.24 0.03 0.00 -1.81 0.00 0.00 61.98 57.99 3ba4 s VAL 54 Cb -0.15 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 3ba4 s VAL 54 CO -0.05 -0.41 0.03 -0.31 -0.31 0.00 0.00 175.10 174.05 3ba4 s TYR 55 N -2.81 3.09 -0.22 2.82 2.02 -0.56 -1.57 117.35 120.12 3ba4 s TYR 55 Ca 0.28 0.06 0.01 0.00 -0.37 0.00 0.00 57.07 57.04 3ba4 s TYR 55 Cb -0.00 -1.62 0.05 0.00 -0.40 0.00 0.00 41.96 39.99 3ba4 s TYR 55 CO 0.12 0.49 -0.08 0.42 -1.57 0.00 0.00 175.55 174.92 3ba4 s ILE 56 N -1.24 1.63 -0.01 2.71 1.01 -1.26 -2.08 121.20 121.96 3ba4 s ILE 56 Ca 0.24 -1.13 0.08 0.00 0.00 0.00 0.00 60.65 59.84 3ba4 s ILE 56 Cb -0.12 -1.78 -0.02 0.00 0.01 0.00 0.00 42.46 40.55 3ba4 s ILE 56 CO 0.16 0.05 -0.26 -0.75 0.00 0.00 0.00 174.94 174.14 3ba4 s LYS 57 N 1.38 2.05 0.05 2.79 2.20 -0.40 -0.51 119.74 127.29 3ba4 s LYS 57 Ca -0.04 -0.97 -0.31 0.00 -0.36 0.00 0.00 55.97 54.30 3ba4 s LYS 57 Cb -0.18 -2.03 -0.06 0.00 -1.51 0.00 0.00 37.83 34.05 3ba4 s LYS 57 CO -0.07 0.55 1.33 0.45 -0.36 0.00 0.00 175.35 177.25 3ba4 s SER 58 N -0.76 6.92 0.40 1.43 0.15 0.33 0.35 113.70 122.52 3ba4 s SER 58 Ca 0.10 2.13 0.22 0.00 0.70 0.00 0.00 55.95 59.10 3ba4 s SER 58 Cb -0.10 -2.57 0.50 0.00 -1.71 0.00 0.00 66.02 62.14 3ba4 s SER 58 CO -0.00 -0.62 1.65 0.71 1.20 0.00 0.00 173.24 176.18 3ba4 h THR 59 N 4.60 0.44 0.13 6.45 1.35 -1.58 -0.43 112.91 123.87 3ba4 h THR 59 Ca -0.40 -1.40 -0.29 0.00 -0.55 0.00 0.00 66.41 63.77 3ba4 h THR 59 Cb 1.20 2.03 0.02 0.00 -1.73 0.00 0.00 68.15 69.67 3ba4 h THR 59 CO 0.86 0.22 -1.25 -0.08 -0.25 0.00 0.00 175.52 175.03 3ba4 h GLU 60 N 0.00 0.52 -0.00 4.72 4.57 -1.82 -3.39 114.58 119.19 3ba4 h GLU 60 Ca -0.00 -0.73 0.00 0.00 -1.18 0.00 0.00 59.36 57.44 3ba4 h GLU 60 Cb 1.02 0.25 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 3ba4 h GLU 60 CO 0.03 1.33 -0.21 0.25 -1.18 0.00 0.00 179.01 179.23 3ba4 n THR 61 N -3.72 0.00 -0.92 0.32 -2.24 -1.24 -5.01 114.28 101.46 3ba4 n THR 61 Ca -0.12 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 3ba4 n THR 61 Cb 1.00 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 70.23 3ba4 n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ba4 n GLY 62 N 1.08 0.79 3.79 3.38 0.00 -0.17 -5.01 105.19 109.05 3ba4 n GLY 62 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 3ba4 n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ba4 s GLN 63 N -0.19 3.81 -0.09 1.61 -0.21 -1.26 -4.72 119.66 118.61 3ba4 s GLN 63 Ca 0.00 1.45 -0.05 0.00 0.02 0.00 0.00 55.36 56.78 3ba4 s GLN 63 Cb 0.00 -2.19 -0.04 0.00 1.00 0.00 0.00 33.01 31.78 3ba4 s GLN 63 CO 0.00 -0.44 0.13 0.71 -2.12 0.00 0.00 175.29 173.57 3ba4 s TYR 64 N -1.86 3.52 0.30 0.91 1.51 0.25 -0.51 117.35 121.48 3ba4 s TYR 64 Ca 0.66 0.45 -0.28 0.00 -1.01 0.00 0.00 57.07 56.89 3ba4 s TYR 64 Cb -0.19 -1.90 -0.09 0.00 -0.11 0.00 0.00 41.96 39.67 3ba4 s TYR 64 CO 0.23 0.69 1.07 -1.17 -1.11 0.00 0.00 175.55 175.25 3ba4 s LEU 65 N -1.17 4.46 0.14 -1.29 2.96 0.33 -0.04 118.68 124.07 3ba4 s LEU 65 Ca 0.17 2.17 -0.11 0.00 -0.22 0.00 0.00 54.13 56.14 3ba4 s LEU 65 Cb -0.12 -3.77 0.01 0.00 0.50 0.00 0.00 46.19 42.81 3ba4 s LEU 65 CO 0.06 -0.19 0.31 0.00 -1.32 0.00 0.00 176.35 175.21 3ba4 s ALA 66 N -1.29 -0.35 -0.10 5.97 0.00 -0.30 -4.38 121.76 121.32 3ba4 s ALA 66 Ca 0.47 -0.58 0.02 0.00 0.00 0.00 0.00 51.96 51.87 3ba4 s ALA 66 Cb -0.29 0.72 0.01 0.00 0.00 0.00 0.00 23.12 23.57 3ba4 s ALA 66 CO 0.36 -0.63 -0.14 1.41 0.00 0.00 0.00 175.76 176.77 3ba4 s MET 67 N -3.90 2.08 0.94 0.00 1.75 -0.67 -1.18 119.30 118.32 3ba4 s MET 67 Ca 0.10 -0.51 -0.14 0.00 -1.25 0.00 0.00 55.69 53.89 3ba4 s MET 67 Cb 0.03 -1.77 0.20 0.00 2.84 0.00 0.00 34.83 36.13 3ba4 s MET 67 CO -0.06 -0.05 1.29 0.16 -0.65 0.00 0.00 175.02 175.71 3ba4 s ASP 68 N 0.96 3.17 0.64 1.11 1.47 0.14 -4.78 116.67 119.37 3ba4 s ASP 68 Ca -0.08 0.12 0.37 0.00 1.18 0.00 0.00 52.55 54.14 3ba4 s ASP 68 Cb -0.15 -0.17 2.04 0.00 -0.34 0.00 0.00 42.92 44.30 3ba4 s ASP 68 CO -0.01 -2.68 2.21 0.00 0.68 0.00 0.00 175.17 175.37 3ba4 h THR 69 N -1.53 0.16 -0.45 2.11 1.03 -2.01 -0.30 112.91 111.91 3ba4 h THR 69 Ca -0.43 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.97 3ba4 h THR 69 Cb 1.23 0.90 0.00 0.00 -1.07 0.00 0.00 68.15 69.21 3ba4 h THR 69 CO 0.36 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.34 3ba4 n ASP 70 N -3.27 4.39 0.00 0.00 8.00 -1.26 -4.97 116.55 119.43 3ba4 n ASP 70 Ca -0.02 -2.68 0.00 0.00 0.71 0.00 0.00 54.79 52.80 3ba4 n ASP 70 Cb 0.19 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 3ba4 n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ba4 n GLY 71 N 0.35 0.62 3.78 0.44 0.00 -0.12 -4.64 105.19 105.62 3ba4 n GLY 71 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 3ba4 n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ba4 s LEU 72 N 0.00 4.42 0.33 0.99 1.43 -1.26 -0.39 118.68 124.21 3ba4 s LEU 72 Ca 0.00 1.02 -0.26 0.00 -1.03 0.00 0.00 54.13 53.86 3ba4 s LEU 72 Cb 0.00 -2.74 -0.10 0.00 0.03 0.00 0.00 46.19 43.38 3ba4 s LEU 72 CO 0.00 0.18 0.97 -0.76 0.23 0.00 0.00 176.35 176.97 3ba4 s LEU 73 N -0.44 4.32 0.16 1.79 1.43 -1.26 -0.69 118.68 123.99 3ba4 s LEU 73 Ca 0.27 1.89 -0.15 0.00 -1.03 0.00 0.00 54.13 55.11 3ba4 s LEU 73 Cb -0.17 -4.03 0.02 0.00 0.03 0.00 0.00 46.19 42.05 3ba4 s LEU 73 CO 0.14 -0.14 0.43 -0.72 0.23 0.00 0.00 176.35 176.28 3ba4 s TYR 74 N -1.60 -0.05 -0.23 0.29 1.13 -0.32 -4.51 117.35 112.06 3ba4 s TYR 74 Ca 0.51 -0.29 -0.12 0.00 -1.41 0.00 0.00 57.07 55.76 3ba4 s TYR 74 Cb -0.20 0.25 -0.05 0.00 -1.10 0.00 0.00 41.96 40.87 3ba4 s TYR 74 CO 0.25 -0.79 0.21 0.20 -2.51 0.00 0.00 175.55 172.91 3ba4 s GLY 75 N -2.86 2.02 -0.15 5.49 0.00 0.03 -1.14 107.32 110.70 3ba4 s GLY 75 Ca 0.08 -0.78 -0.08 0.00 0.00 0.00 0.00 44.72 43.94 3ba4 s GLY 75 CO -0.06 0.46 0.14 -0.45 0.00 0.00 0.00 173.10 173.19 3ba4 s SER 76 N 0.97 6.33 0.39 1.64 0.15 0.94 -4.70 113.70 119.42 3ba4 s SER 76 Ca 0.10 0.39 0.20 0.00 0.70 0.00 0.00 55.95 57.34 3ba4 s SER 76 Cb -0.13 -2.08 0.66 0.00 -1.71 0.00 0.00 66.02 62.76 3ba4 s SER 76 CO 0.05 0.33 1.71 1.56 1.20 0.00 0.00 173.24 178.09 3ba4 h GLN 77 N 5.57 0.00 -5.25 5.44 1.08 -1.91 0.74 115.11 120.78 3ba4 h GLN 77 Ca -0.50 0.00 -0.38 0.00 -1.45 0.00 0.00 58.65 56.32 3ba4 h GLN 77 Cb 1.20 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 28.44 3ba4 h GLN 77 CO 0.64 0.32 -0.75 0.95 -0.95 0.00 0.00 178.83 179.04 3ba4 s THR 78 N -3.49 1.15 0.15 -0.54 -4.23 -1.26 -4.82 115.64 102.60 3ba4 s THR 78 Ca 0.01 -1.59 -0.30 0.00 -1.18 0.00 0.00 61.69 58.63 3ba4 s THR 78 Cb 0.10 -1.36 -0.07 0.00 1.34 0.00 0.00 72.50 72.51 3ba4 s THR 78 CO 0.68 -0.42 1.08 -2.16 -0.54 0.00 0.00 174.62 173.26 3ba4 s PRO 79 N -2.49 4.60 0.20 3.99 0.04 -1.26 -4.88 135.00 135.20 3ba4 s PRO 79 Ca 0.05 1.66 0.01 0.00 0.04 0.00 0.00 61.00 62.76 3ba4 s PRO 79 Cb -0.05 -3.31 -0.00 0.00 0.04 0.00 0.00 34.50 31.18 3ba4 s PRO 79 CO 0.02 0.07 0.24 0.27 0.04 0.00 0.00 177.00 177.64 3ba4 n ASN 80 N 2.62 -0.66 0.32 6.66 0.23 -1.26 -5.03 115.26 118.14 3ba4 n ASN 80 Ca 0.03 -2.16 0.20 0.00 -0.53 0.00 0.00 54.58 52.12 3ba4 n ASN 80 Cb 0.47 1.30 1.04 0.00 -2.08 0.00 0.00 39.78 40.51 3ba4 n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3ba4 h GLU 81 N 0.00 0.00 -0.00 -3.83 4.11 -1.99 -1.27 114.58 111.59 3ba4 h GLU 81 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.28 3ba4 h GLU 81 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3ba4 h GLU 81 CO 0.21 0.01 -0.03 0.39 0.07 0.00 0.00 179.01 179.67 3ba4 n GLU 82 N -3.23 0.75 0.00 1.06 1.02 -1.26 -3.58 120.64 115.40 3ba4 n GLU 82 Ca -0.02 -0.10 0.12 0.00 -0.02 0.00 0.00 57.16 57.13 3ba4 n GLU 82 Cb 0.13 -1.50 0.11 0.00 -0.02 0.00 0.00 31.44 30.17 3ba4 n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ba4 s LEU 84 N -2.46 4.39 0.02 0.00 1.43 -1.23 -4.44 118.68 116.39 3ba4 s LEU 84 Ca 0.21 0.89 0.04 0.00 -1.03 0.00 0.00 54.13 54.24 3ba4 s LEU 84 Cb 0.19 -2.62 -0.02 0.00 0.03 0.00 0.00 46.19 43.76 3ba4 s LEU 84 CO 0.54 0.19 -0.13 -0.36 0.23 0.00 0.00 176.35 176.82 3ba4 s PHE 85 N -0.33 1.13 -0.38 0.29 0.08 -0.61 -0.90 117.98 117.26 3ba4 s PHE 85 Ca 0.24 -0.30 -0.22 0.00 0.12 0.00 0.00 56.93 56.77 3ba4 s PHE 85 Cb -0.16 -0.69 0.01 0.00 -0.57 0.00 0.00 43.02 41.61 3ba4 s PHE 85 CO 0.12 0.01 0.74 -0.51 -0.10 0.00 0.00 175.22 175.47 3ba4 s LEU 86 N -0.82 4.20 -0.25 -0.37 1.43 0.12 -0.17 118.68 122.83 3ba4 s LEU 86 Ca 0.02 0.18 -0.18 0.00 -1.03 0.00 0.00 54.13 53.12 3ba4 s LEU 86 Cb -0.07 -2.93 -0.03 0.00 0.03 0.00 0.00 46.19 43.19 3ba4 s LEU 86 CO 0.01 -0.73 0.51 -0.70 0.23 0.00 0.00 176.35 175.67 3ba4 s GLU 87 N 3.02 4.10 0.08 1.70 2.12 -0.03 -1.50 118.70 128.18 3ba4 s GLU 87 Ca 0.29 0.34 0.02 0.00 0.36 0.00 0.00 54.97 55.98 3ba4 s GLU 87 Cb -0.13 -3.63 -0.03 0.00 0.26 0.00 0.00 34.13 30.59 3ba4 s GLU 87 CO 0.18 -0.30 -0.07 1.03 -0.54 0.00 0.00 175.26 175.55 3ba4 s ARG 88 N 2.14 0.71 0.46 4.30 1.81 -0.54 -4.70 118.95 123.14 3ba4 s ARG 88 Ca 0.22 -1.10 -0.20 0.00 -1.72 0.00 0.00 55.73 52.93 3ba4 s ARG 88 Cb -0.16 -0.25 -0.10 0.00 -0.45 0.00 0.00 34.95 34.00 3ba4 s ARG 88 CO 0.09 0.01 0.98 -1.17 -0.68 0.00 0.00 175.30 174.54 3ba4 s LEU 89 N -2.44 3.85 -0.01 2.53 2.96 -0.39 -0.58 118.68 124.60 3ba4 s LEU 89 Ca 0.03 1.75 -0.02 0.00 -0.22 0.00 0.00 54.13 55.67 3ba4 s LEU 89 Cb -0.01 -4.54 0.00 0.00 0.50 0.00 0.00 46.19 42.14 3ba4 s LEU 89 CO -0.03 -0.54 0.05 -0.70 -1.32 0.00 0.00 176.35 173.80 3ba4 s GLU 90 N -3.35 0.10 -1.45 1.98 2.56 0.63 -4.83 118.70 114.35 3ba4 s GLU 90 Ca 0.63 -0.02 -0.13 0.00 0.00 0.00 0.00 54.97 55.45 3ba4 s GLU 90 Cb -0.11 0.04 0.10 0.00 2.00 0.00 0.00 34.13 36.16 3ba4 s GLU 90 CO 0.18 -0.02 0.67 0.39 -0.56 0.00 0.00 175.26 175.92 3ba4 n GLU 91 N 2.83 -3.78 -1.82 4.30 1.02 -1.26 -0.72 120.64 121.21 3ba4 n GLU 91 Ca -0.14 0.48 -0.12 0.00 -0.02 0.00 0.00 57.16 57.36 3ba4 n GLU 91 Cb 0.59 -5.24 -0.03 0.00 -0.02 0.00 0.00 31.44 26.74 3ba4 n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3ba4 n ASN 92 N -2.49 -3.48 0.00 1.62 4.13 -1.26 -4.57 115.26 109.21 3ba4 n ASN 92 Ca 0.02 0.26 0.00 0.00 1.68 0.00 0.00 54.58 56.54 3ba4 n ASN 92 Cb 0.53 -3.14 0.00 0.00 -1.54 0.00 0.00 39.78 35.63 3ba4 n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 3ba4 n HIS 93 N -2.47 -0.92 -2.54 3.10 -0.00 0.10 -5.15 115.22 107.34 3ba4 n HIS 93 Ca -0.13 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 57.83 3ba4 n HIS 93 Cb 0.49 0.36 0.04 0.00 -0.12 0.00 0.00 29.99 30.76 3ba4 n HIS 93 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 3ba4 s TYR 94 N -1.72 2.87 -0.08 1.57 1.51 -0.01 -4.84 117.35 116.65 3ba4 s TYR 94 Ca 0.00 0.09 -0.01 0.00 -1.01 0.00 0.00 57.07 56.13 3ba4 s TYR 94 Cb 0.00 -2.85 -0.03 0.00 -0.11 0.00 0.00 41.96 38.97 3ba4 s TYR 94 CO 0.00 -0.99 -0.01 -0.80 -1.11 0.00 0.00 175.55 172.63 3ba4 s ASN 95 N -4.45 5.11 0.13 2.29 -0.87 0.20 -0.27 114.94 117.08 3ba4 s ASN 95 Ca 0.58 0.11 0.07 0.00 -1.57 0.00 0.00 52.86 52.05 3ba4 s ASN 95 Cb -0.10 -1.41 -0.04 0.00 -0.02 0.00 0.00 41.25 39.68 3ba4 s ASN 95 CO 0.40 0.37 -0.16 0.42 -2.57 0.00 0.00 177.10 175.56 3ba4 s THR 96 N -0.86 1.51 -0.19 1.60 -4.23 0.25 -1.06 115.64 112.66 3ba4 s THR 96 Ca 0.13 -1.77 -0.01 0.00 -1.18 0.00 0.00 61.69 58.86 3ba4 s THR 96 Cb -0.11 -1.63 0.05 0.00 1.34 0.00 0.00 72.50 72.15 3ba4 s THR 96 CO 0.02 -0.36 -0.02 -0.31 -0.54 0.00 0.00 174.62 173.41 3ba4 s TYR 97 N -2.04 1.67 -0.16 3.99 2.02 -1.26 -1.47 117.35 120.11 3ba4 s TYR 97 Ca 0.11 -1.20 -0.07 0.00 -0.37 0.00 0.00 57.07 55.54 3ba4 s TYR 97 Cb -0.06 -1.29 -0.04 0.00 -0.40 0.00 0.00 41.96 40.17 3ba4 s TYR 97 CO 0.04 -0.66 0.08 0.42 -1.57 0.00 0.00 175.55 173.87 3ba4 s ILE 98 N 1.64 4.99 -0.05 2.71 1.01 -0.56 -1.10 121.20 129.83 3ba4 s ILE 98 Ca -0.02 0.03 -0.34 0.00 0.00 0.00 0.00 60.65 60.32 3ba4 s ILE 98 Cb -0.17 -3.22 -0.12 0.00 0.01 0.00 0.00 42.46 38.97 3ba4 s ILE 98 CO -0.07 0.51 1.86 -0.24 0.00 0.00 0.00 174.94 177.00 3ba4 n SER 99 N 2.99 3.49 -0.12 3.58 2.88 -0.10 0.11 113.62 126.45 3ba4 n SER 99 Ca -0.18 0.98 -0.10 0.00 -1.33 0.00 0.00 58.87 58.24 3ba4 n SER 99 Cb 0.53 -1.39 -0.02 0.00 -0.75 0.00 0.00 64.21 62.58 3ba4 n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3ba4 h LYS 100 N 9.04 0.57 -0.33 -1.46 3.64 -1.34 0.06 116.57 126.75 3ba4 h LYS 100 Ca -0.48 -0.14 0.04 0.00 -1.27 0.00 0.00 60.65 58.80 3ba4 h LYS 100 Cb 1.27 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 3ba4 h LYS 100 CO 0.94 0.61 0.22 -0.22 -2.27 0.00 0.00 179.45 178.74 3ba4 h LYS 101 N 0.43 0.26 -0.32 1.90 1.63 -1.77 -2.61 116.57 116.09 3ba4 h LYS 101 Ca 0.11 -0.02 -0.22 0.00 -0.85 0.00 0.00 60.65 59.68 3ba4 h LYS 101 Cb 0.30 -0.06 -0.15 0.00 -0.60 0.00 0.00 32.23 31.72 3ba4 h LYS 101 CO 0.00 0.17 -0.43 0.72 -3.45 0.00 0.00 179.45 176.46 3ba4 n HIS 102 N -4.49 1.12 0.20 1.91 8.25 -0.97 -4.76 115.22 116.47 3ba4 n HIS 102 Ca 0.03 -1.78 0.04 0.00 -0.26 0.00 0.00 57.72 55.75 3ba4 n HIS 102 Cb 0.20 -0.38 0.41 0.00 1.12 0.00 0.00 29.99 31.34 3ba4 n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ba4 h ALA 103 N 1.35 1.44 0.00 -1.41 0.00 -0.59 -2.17 119.26 117.88 3ba4 h ALA 103 Ca 0.18 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3ba4 h ALA 103 Cb 1.30 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 3ba4 h ALA 103 CO 0.36 0.40 -0.01 1.49 0.00 0.00 0.00 179.25 181.49 3ba4 h GLU 104 N 0.00 0.00 -0.36 0.00 4.57 -1.86 -2.10 114.58 114.84 3ba4 h GLU 104 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3ba4 h GLU 104 Cb 0.58 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 3ba4 h GLU 104 CO 0.04 0.01 0.00 1.63 -1.18 0.00 0.00 179.01 179.51 3ba4 n LYS 105 N -3.11 2.35 -3.64 1.92 5.02 -0.82 -4.99 118.16 114.89 3ba4 n LYS 105 Ca -0.01 -2.15 -0.20 0.00 -2.02 0.00 0.00 58.31 53.92 3ba4 n LYS 105 Cb 0.20 -1.45 0.04 0.00 -0.02 0.00 0.00 35.03 33.81 3ba4 n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3ba4 n ASN 106 N 1.27 -1.37 -4.61 4.39 4.13 -0.79 -4.95 115.26 113.33 3ba4 n ASN 106 Ca 0.17 -0.78 -0.41 0.00 1.68 0.00 0.00 54.58 55.24 3ba4 n ASN 106 Cb 0.55 -4.28 -0.06 0.00 -1.54 0.00 0.00 39.78 34.45 3ba4 n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 3ba4 s TRP 107 N -3.61 3.23 0.28 3.10 0.52 -1.22 -4.59 118.94 116.65 3ba4 s TRP 107 Ca 0.01 0.73 0.07 0.00 0.02 0.00 0.00 56.10 56.93 3ba4 s TRP 107 Cb -0.00 -3.03 -0.03 0.00 -1.15 0.00 0.00 33.47 29.25 3ba4 s TRP 107 CO 0.79 -0.47 0.19 -0.06 0.02 0.00 0.00 176.95 177.43 3ba4 s PHE 108 N 2.71 3.00 0.04 -1.98 0.40 -1.26 -0.92 117.98 119.96 3ba4 s PHE 108 Ca 0.28 -0.18 -0.30 0.00 -0.60 0.00 0.00 56.93 56.13 3ba4 s PHE 108 Cb -0.15 -1.48 -0.04 0.00 0.51 0.00 0.00 43.02 41.86 3ba4 s PHE 108 CO 0.11 0.45 1.07 0.08 0.70 0.00 0.00 175.22 177.63 3ba4 s VAL 109 N -2.20 4.49 -0.01 -0.44 1.01 -0.26 -4.65 120.40 118.33 3ba4 s VAL 109 Ca 0.35 1.81 -0.23 0.00 0.00 0.00 0.00 61.98 63.91 3ba4 s VAL 109 Cb -0.07 -4.16 0.05 0.00 0.00 0.00 0.00 36.38 32.19 3ba4 s VAL 109 CO 0.25 0.16 0.50 -0.83 0.00 0.00 0.00 175.10 175.17 3ba4 s GLY 110 N 0.93 -0.37 -0.07 4.51 0.00 -1.26 -4.46 107.32 106.58 3ba4 s GLY 110 Ca 0.54 0.76 0.05 0.00 0.00 0.00 0.00 44.72 46.07 3ba4 s GLY 110 CO 0.29 0.48 -0.24 1.08 0.00 0.00 0.00 173.10 174.71 3ba4 s LEU 111 N -1.43 2.05 0.83 0.66 1.43 -0.33 -0.78 118.68 121.11 3ba4 s LEU 111 Ca -0.11 -0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 52.36 3ba4 s LEU 111 Cb -0.02 -1.34 0.09 0.00 0.03 0.00 0.00 46.19 44.95 3ba4 s LEU 111 CO 0.05 0.20 1.13 -0.54 0.23 0.00 0.00 176.35 177.42 3ba4 s LYS 112 N 0.08 1.80 0.58 1.70 1.02 0.71 -4.39 119.74 121.24 3ba4 s LYS 112 Ca -0.10 0.36 0.32 0.00 0.02 0.00 0.00 55.97 56.57 3ba4 s LYS 112 Cb -0.15 -1.91 1.78 0.00 -0.52 0.00 0.00 37.83 37.03 3ba4 s LYS 112 CO 0.06 -1.76 2.19 0.87 -0.92 0.00 0.00 175.35 175.79 3ba4 h LYS 113 N -1.18 0.00 -0.20 1.68 1.57 -1.88 -0.60 116.57 115.96 3ba4 h LYS 113 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3ba4 h LYS 113 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 3ba4 h LYS 113 CO 0.62 0.05 0.00 0.27 -0.57 0.00 0.00 179.45 179.82 3ba4 n ASN 114 N -3.57 1.85 0.00 0.86 0.23 -1.26 -4.71 115.26 108.67 3ba4 n ASN 114 Ca -0.02 -1.75 0.00 0.00 -0.53 0.00 0.00 54.58 52.27 3ba4 n ASN 114 Cb 0.15 -0.13 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 3ba4 n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ba4 n GLY 115 N 1.16 0.78 3.85 4.83 0.00 -0.23 -5.01 105.19 110.57 3ba4 n GLY 115 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3ba4 n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ba4 s SER 116 N -3.00 6.75 0.47 1.61 0.01 -1.26 -0.94 113.70 117.34 3ba4 s SER 116 Ca 0.00 1.21 -0.22 0.00 1.31 0.00 0.00 55.95 58.26 3ba4 s SER 116 Cb 0.00 -2.35 -0.08 0.00 0.21 0.00 0.00 66.02 63.81 3ba4 s SER 116 CO 0.00 -0.18 1.10 0.00 0.41 0.00 0.00 173.24 174.58 3ba4 s LYS 118 N -2.90 4.04 0.30 0.00 1.02 0.04 -4.80 119.74 117.44 3ba4 s LYS 118 Ca 0.65 0.64 -0.27 0.00 0.02 0.00 0.00 55.97 57.01 3ba4 s LYS 118 Cb -0.23 -2.69 -0.10 0.00 -0.52 0.00 0.00 37.83 34.29 3ba4 s LYS 118 CO 0.28 0.31 0.96 0.50 -0.92 0.00 0.00 175.35 176.48 3ba4 s ARG 119 N -2.46 4.64 0.15 1.68 3.52 -1.26 -4.61 118.95 120.61 3ba4 s ARG 119 Ca 0.47 1.42 -0.29 0.00 -0.13 0.00 0.00 55.73 57.19 3ba4 s ARG 119 Cb -0.13 -2.95 -0.07 0.00 -1.56 0.00 0.00 34.95 30.25 3ba4 s ARG 119 CO 0.19 0.32 1.44 0.41 -0.81 0.00 0.00 175.30 176.85 3ba4 n GLY 120 N 0.86 -2.43 0.33 8.12 0.00 0.48 -0.31 105.19 112.24 3ba4 n GLY 120 Ca 0.01 1.11 0.21 0.00 0.00 0.00 0.00 46.02 47.35 3ba4 n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ba4 h PRO 121 N 0.00 0.00 -0.00 1.61 0.11 -1.88 -1.11 132.00 130.73 3ba4 h PRO 121 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3ba4 h PRO 121 Cb 0.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.49 3ba4 h PRO 121 CO -0.88 0.00 -0.11 0.54 -0.21 0.00 0.00 178.00 177.34 3ba4 n ARG 122 N -3.18 0.80 -3.64 1.05 5.12 0.58 -4.86 116.66 112.53 3ba4 n ARG 122 Ca -0.03 -0.31 -0.25 0.00 -1.93 0.00 0.00 57.85 55.34 3ba4 n ARG 122 Cb 0.12 -1.49 -0.02 0.00 -1.16 0.00 0.00 32.46 29.91 3ba4 n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3ba4 s THR 123 N -2.42 5.18 -0.06 0.55 -4.23 -0.42 -4.94 115.64 109.31 3ba4 s THR 123 Ca 0.30 -0.52 -0.30 0.00 -1.18 0.00 0.00 61.69 59.98 3ba4 s THR 123 Cb 0.20 -3.81 0.11 0.00 1.34 0.00 0.00 72.50 70.35 3ba4 s THR 123 CO 0.46 -0.34 0.97 -1.38 -0.54 0.00 0.00 174.62 173.79 3ba4 s HIS 124 N -2.05 -0.29 0.37 3.99 -3.43 -1.26 -4.80 115.29 107.81 3ba4 s HIS 124 Ca 0.38 0.18 -0.27 0.00 -0.80 0.00 0.00 55.06 54.55 3ba4 s HIS 124 Cb -0.10 0.53 -0.12 0.00 -1.43 0.00 0.00 32.58 31.46 3ba4 s HIS 124 CO 0.31 -0.45 1.17 0.66 -2.00 0.00 0.00 174.74 174.44 3ba4 n TYR 125 N -0.20 1.82 0.00 0.38 4.01 -1.26 -2.61 117.16 119.31 3ba4 n TYR 125 Ca -0.06 0.57 0.00 0.00 -0.16 0.00 0.00 57.90 58.25 3ba4 n TYR 125 Cb 0.61 -2.34 0.00 0.00 -0.31 0.00 0.00 39.34 37.30 3ba4 n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ba4 n GLY 126 N 0.95 2.66 3.84 2.72 0.00 -1.26 -5.08 105.19 109.02 3ba4 n GLY 126 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 3ba4 n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ba4 s GLN 127 N -0.85 4.06 0.35 1.61 -0.21 -1.07 -4.96 119.66 118.59 3ba4 s GLN 127 Ca 0.00 0.84 0.19 0.00 0.02 0.00 0.00 55.36 56.41 3ba4 s GLN 127 Cb 0.00 -2.31 0.19 0.00 1.00 0.00 0.00 33.01 31.88 3ba4 s GLN 127 CO 0.00 0.04 1.49 0.87 -2.12 0.00 0.00 175.29 175.57 3ba4 h LYS 128 N 1.96 0.00 -0.55 2.91 1.57 -1.97 -3.29 116.57 117.20 3ba4 h LYS 128 Ca -0.48 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.46 3ba4 h LYS 128 Cb 1.18 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.47 3ba4 h LYS 128 CO 0.63 0.23 0.45 0.00 -0.57 0.00 0.00 179.45 180.19 3ba4 h ALA 129 N 1.76 2.43 -0.02 3.86 0.00 -1.93 -2.39 119.26 122.97 3ba4 h ALA 129 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ba4 h ALA 129 Cb 1.19 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3ba4 h ALA 129 CO 0.03 -0.73 -0.12 0.44 0.00 0.00 0.00 179.25 178.87 3ba4 n ILE 130 N -4.13 0.00 -3.23 0.00 -5.35 -1.24 -1.19 119.36 104.22 3ba4 n ILE 130 Ca 0.10 -0.27 -0.40 0.00 -0.27 0.00 0.00 62.75 61.91 3ba4 n ILE 130 Cb 0.67 0.77 -0.07 0.00 -1.74 0.00 0.00 39.64 39.27 3ba4 n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3ba4 s LEU 131 N -2.17 4.09 0.16 7.28 1.43 -0.90 -4.45 118.68 124.12 3ba4 s LEU 131 Ca 0.30 0.59 0.09 0.00 -1.03 0.00 0.00 54.13 54.08 3ba4 s LEU 131 Cb 0.20 -2.69 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 3ba4 s LEU 131 CO 0.40 -0.25 -0.19 -0.36 0.23 0.00 0.00 176.35 176.17 3ba4 s PHE 132 N 2.07 1.89 -0.12 0.29 0.40 -0.22 -2.32 117.98 119.97 3ba4 s PHE 132 Ca 0.22 -0.45 0.00 0.00 -0.60 0.00 0.00 56.93 56.11 3ba4 s PHE 132 Cb -0.16 -0.95 0.02 0.00 0.51 0.00 0.00 43.02 42.45 3ba4 s PHE 132 CO 0.09 0.35 -0.11 -0.51 0.70 0.00 0.00 175.22 175.74 3ba4 s LEU 133 N -2.61 1.43 -0.28 -0.37 1.43 0.24 -0.63 118.68 117.89 3ba4 s LEU 133 Ca 0.16 -0.37 -0.29 0.00 -1.03 0.00 0.00 54.13 52.60 3ba4 s LEU 133 Cb -0.06 -0.97 0.01 0.00 0.03 0.00 0.00 46.19 45.20 3ba4 s LEU 133 CO 0.07 -0.07 1.15 -2.16 0.23 0.00 0.00 176.35 175.56 3ba4 s PRO 134 N 1.48 4.08 0.12 1.29 0.04 -1.26 -1.61 135.00 139.14 3ba4 s PRO 134 Ca 0.02 1.23 0.06 0.00 0.04 0.00 0.00 61.00 62.35 3ba4 s PRO 134 Cb -0.13 -3.76 -0.04 0.00 0.04 0.00 0.00 34.50 30.61 3ba4 s PRO 134 CO -0.07 -0.88 -0.00 -0.51 0.04 0.00 0.00 177.00 175.57 3ba4 s LEU 135 N 3.73 3.39 0.62 -3.56 1.43 0.12 -4.89 118.68 119.53 3ba4 s LEU 135 Ca 0.49 -0.26 -0.18 0.00 -1.03 0.00 0.00 54.13 53.14 3ba4 s LEU 135 Cb -0.15 -2.10 -0.02 0.00 0.03 0.00 0.00 46.19 43.95 3ba4 s LEU 135 CO 0.16 0.14 1.26 -2.84 0.23 0.00 0.00 176.35 175.30 3ba4 s PRO 136 N -2.53 2.74 0.29 1.29 0.02 -1.26 -0.11 135.00 135.44 3ba4 s PRO 136 Ca 0.26 1.98 -0.25 0.00 0.02 0.00 0.00 61.00 63.01 3ba4 s PRO 136 Cb -0.11 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.42 3ba4 s PRO 136 CO 0.18 -1.43 0.90 0.14 -0.33 0.00 0.00 177.00 176.46 3ba4 s VAL 137 N -1.46 4.27 0.92 3.83 -7.23 -1.26 -4.57 120.40 114.90 3ba4 s VAL 137 Ca 0.80 1.75 -0.13 0.00 -1.81 0.00 0.00 61.98 62.58 3ba4 s VAL 137 Cb -0.35 -4.02 0.02 0.00 0.56 0.00 0.00 36.38 32.59 3ba4 s VAL 137 CO 0.37 0.20 0.35 -0.24 -0.31 0.00 0.00 175.10 175.48 3ba4 n SER 138 N 0.72 -2.20 0.00 4.85 2.88 -1.26 -5.08 113.62 113.52 3ba4 n SER 138 Ca 0.00 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 3ba4 n SER 138 Cb 0.50 -1.18 0.00 0.00 -0.75 0.00 0.00 64.21 62.78 3ba4 n SER 138 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61