#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2v48 n VAL 2 N 0.00 -0.05 -2.22 3.17 3.14 -1.26 -3.94 118.33 117.16 2v48 n VAL 2 Ca 0.00 -0.62 -0.21 0.00 -2.96 0.00 0.00 64.34 60.55 2v48 n VAL 2 Cb 0.00 -2.20 0.13 0.00 -1.06 0.00 0.00 33.84 30.71 2v48 n VAL 2 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2v48 n LYS 3 N 8.74 -0.45 -4.26 1.45 4.01 -1.21 -4.30 118.16 122.13 2v48 n LYS 3 Ca 0.44 -2.03 -0.18 0.00 -0.51 0.00 0.00 58.31 56.03 2v48 n LYS 3 Cb 0.44 -0.80 -0.15 0.00 -0.51 0.00 0.00 35.03 34.01 2v48 n LYS 3 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2v48 s ILE 4 N -2.90 0.60 0.00 -0.18 1.01 -1.23 -2.40 121.20 116.09 2v48 s ILE 4 Ca 0.58 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.97 2v48 s ILE 4 Cb -0.03 -0.54 0.00 0.00 0.01 0.00 0.00 42.46 41.91 2v48 s ILE 4 CO 0.40 0.19 0.00 -2.11 0.00 0.00 0.00 174.94 173.42 2v48 n ARG 5 N 3.28 0.00 -0.62 2.79 1.85 0.47 -1.07 116.66 123.35 2v48 n ARG 5 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.68 2v48 n ARG 5 Cb 0.55 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.96 2v48 n ARG 5 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2v48 n LEU 6 N 0.00 0.00 -2.69 2.89 4.32 -1.26 0.13 117.00 120.39 2v48 n LEU 6 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 56.01 55.94 2v48 n LEU 6 Cb 0.00 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 41.86 2v48 n LEU 6 CO 0.00 -0.16 0.49 0.00 -1.22 0.00 0.00 177.39 176.50 2v48 n ALA 7 N -3.00 -3.14 -1.28 -1.18 0.00 -1.25 -4.70 120.51 105.97 2v48 n ALA 7 Ca 0.00 -0.50 -0.57 0.00 0.00 0.00 0.00 53.44 52.37 2v48 n ALA 7 Cb 0.00 -2.83 -0.11 0.00 0.00 0.00 0.00 19.45 16.52 2v48 n ALA 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2v48 n ARG 8 N 1.71 0.00 -0.16 0.00 0.63 -1.26 -3.72 116.66 113.86 2v48 n ARG 8 Ca 0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 2v48 n ARG 8 Cb 0.68 -1.39 0.00 0.00 0.45 0.00 0.00 32.46 32.21 2v48 n ARG 8 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2v48 n PHE 9 N 6.02 -0.05 -4.37 -0.14 3.72 0.64 -4.87 117.46 118.41 2v48 n PHE 9 Ca 0.45 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.85 2v48 n PHE 9 Cb -0.04 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.50 2v48 n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2v48 n GLY 10 N 5.00 -0.38 3.95 1.37 0.00 -1.26 -2.54 105.19 111.33 2v48 n GLY 10 Ca 0.00 -1.07 -0.20 0.00 0.00 0.00 0.00 46.02 44.75 2v48 n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2v48 s SER 11 N -4.00 5.18 -0.33 1.61 0.01 -1.23 -4.97 113.70 109.97 2v48 s SER 11 Ca 0.00 -0.74 -0.28 0.00 1.31 0.00 0.00 55.95 56.24 2v48 s SER 11 Cb 0.00 -0.27 -0.04 0.00 0.21 0.00 0.00 66.02 65.92 2v48 s SER 11 CO 0.00 -0.90 2.07 -0.75 0.41 0.00 0.00 173.24 174.08 2v48 s LYS 12 N -4.33 2.99 0.00 12.44 2.20 -1.26 -1.49 119.74 130.29 2v48 s LYS 12 Ca 0.51 1.60 0.00 0.00 -0.36 0.00 0.00 55.97 57.72 2v48 s LYS 12 Cb -0.06 -4.35 0.00 0.00 -1.51 0.00 0.00 37.83 31.92 2v48 s LYS 12 CO 0.31 -2.26 0.00 0.72 -0.36 0.00 0.00 175.35 173.76 2v48 n HIS 13 N 11.97 0.00 -2.61 4.03 8.25 -1.26 -4.97 115.22 130.64 2v48 n HIS 13 Ca 0.28 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.71 2v48 n HIS 13 Cb 0.48 -1.91 0.03 0.00 1.12 0.00 0.00 29.99 29.70 2v48 n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2v48 n ASN 14 N -0.95 -0.85 -4.62 0.41 5.15 -0.55 -5.15 115.26 108.70 2v48 n ASN 14 Ca 0.00 -1.58 -0.44 0.00 -0.60 0.00 0.00 54.58 51.96 2v48 n ASN 14 Cb 0.48 0.59 -0.01 0.00 -0.53 0.00 0.00 39.78 40.31 2v48 n ASN 14 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 2v48 n PRO 15 N -0.51 1.56 -3.40 1.20 -0.02 -1.25 -3.52 135.00 129.07 2v48 n PRO 15 Ca -0.14 0.55 -0.11 0.00 -2.02 0.00 0.00 63.50 61.78 2v48 n PRO 15 Cb 0.65 -1.98 -0.09 0.00 -0.02 0.00 0.00 33.50 32.06 2v48 n PRO 15 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2v48 s HIS 16 N -1.05 -0.68 0.46 6.00 3.76 -1.05 -4.61 115.29 118.11 2v48 s HIS 16 Ca 0.58 0.72 -0.01 0.00 -0.15 0.00 0.00 55.06 56.20 2v48 s HIS 16 Cb -0.67 -0.06 -0.01 0.00 1.11 0.00 0.00 32.58 32.96 2v48 s HIS 16 CO 0.60 -0.67 0.70 0.71 -0.85 0.00 0.00 174.74 175.23 2v48 s TYR 17 N 2.49 3.26 -0.29 1.40 1.51 -1.21 0.23 117.35 124.74 2v48 s TYR 17 Ca 0.11 0.31 0.00 0.00 -1.01 0.00 0.00 57.07 56.48 2v48 s TYR 17 Cb -0.15 -2.34 0.09 0.00 -0.11 0.00 0.00 41.96 39.45 2v48 s TYR 17 CO -0.15 -0.38 0.06 0.50 -1.11 0.00 0.00 175.55 174.47 2v48 s ARG 18 N -4.60 0.98 -0.26 -0.62 3.52 -1.24 -3.15 118.95 113.57 2v48 s ARG 18 Ca 0.48 -1.12 -0.36 0.00 -0.13 0.00 0.00 55.73 54.60 2v48 s ARG 18 Cb -0.10 -2.30 -0.13 0.00 -1.56 0.00 0.00 34.95 30.87 2v48 s ARG 18 CO 0.39 -0.88 1.98 -0.89 -0.81 0.00 0.00 175.30 175.09 2v48 n ILE 19 N 4.74 0.33 -3.61 4.11 2.08 0.42 -3.74 119.36 123.69 2v48 n ILE 19 Ca -0.03 -0.16 -0.14 0.00 0.56 0.00 0.00 62.75 62.97 2v48 n ILE 19 Cb 0.43 -1.60 -0.06 0.00 -0.75 0.00 0.00 39.64 37.65 2v48 n ILE 19 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 2v48 s VAL 20 N 5.42 0.03 -0.17 1.39 0.11 0.35 -1.64 120.40 125.89 2v48 s VAL 20 Ca 1.02 -0.28 -0.08 0.00 -2.93 0.00 0.00 61.98 59.71 2v48 s VAL 20 Cb -0.87 -0.91 -0.04 0.00 -1.53 0.00 0.00 36.38 33.03 2v48 s VAL 20 CO 0.54 -0.15 0.09 0.54 -3.33 0.00 0.00 175.10 172.79 2v48 s VAL 21 N -2.00 5.03 0.00 2.04 0.11 -1.08 0.18 120.40 124.67 2v48 s VAL 21 Ca -0.08 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.02 2v48 s VAL 21 Cb -0.01 -3.25 0.00 0.00 -1.53 0.00 0.00 36.38 31.59 2v48 s VAL 21 CO 0.02 0.50 0.00 0.35 -3.33 0.00 0.00 175.10 172.63 2v48 n THR 22 N 3.14 0.00 -2.34 5.04 -2.24 -1.01 -1.06 114.28 115.81 2v48 n THR 22 Ca -0.17 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.32 2v48 n THR 22 Cb 0.53 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.76 2v48 n THR 22 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2v48 s ASP 23 N -0.30 6.29 0.14 3.42 -1.08 -1.26 -3.34 116.67 120.54 2v48 s ASP 23 Ca 0.00 1.18 -0.13 0.00 -0.52 0.00 0.00 52.55 53.08 2v48 s ASP 23 Cb 0.00 -2.36 0.01 0.00 -1.46 0.00 0.00 42.92 39.11 2v48 s ASP 23 CO 0.00 -0.68 1.58 0.00 0.52 0.00 0.00 175.17 176.60 2v48 h ALA 24 N 0.14 0.63 0.00 3.66 0.00 -1.90 -3.21 119.26 118.59 2v48 h ALA 24 Ca -0.46 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.16 2v48 h ALA 24 Cb 1.20 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2v48 h ALA 24 CO 0.62 0.45 0.00 0.54 0.00 0.00 0.00 179.25 180.86 2v48 n ARG 25 N -4.33 0.64 -1.68 0.00 1.74 -1.26 -4.82 116.66 106.95 2v48 n ARG 25 Ca 0.00 0.02 -0.30 0.00 -0.77 0.00 0.00 57.85 56.80 2v48 n ARG 25 Cb 0.33 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.34 2v48 n ARG 25 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2v48 s ARG 26 N -2.23 2.34 0.89 5.56 0.52 -1.21 -5.05 118.95 119.78 2v48 s ARG 26 Ca 0.34 0.55 -0.11 0.00 -0.52 0.00 0.00 55.73 55.99 2v48 s ARG 26 Cb 0.18 -1.95 0.18 0.00 0.52 0.00 0.00 34.95 33.88 2v48 s ARG 26 CO 0.34 -1.42 1.23 -1.59 0.02 0.00 0.00 175.30 173.87 2v48 s LYS 27 N -5.24 0.89 0.00 3.54 0.00 -1.26 -4.93 119.74 112.74 2v48 s LYS 27 Ca 0.60 -0.69 0.00 0.00 0.00 0.00 0.00 55.97 55.88 2v48 s LYS 27 Cb -0.13 -2.00 0.00 0.00 0.00 0.00 0.00 37.83 35.70 2v48 s LYS 27 CO 0.53 -2.15 0.53 -2.13 0.00 0.00 0.00 175.35 172.13 2v48 n ARG 28 N -3.49 0.00 0.00 1.78 0.63 -1.26 -1.85 116.66 112.47 2v48 n ARG 28 Ca 0.16 0.29 0.00 0.00 -0.92 0.00 0.00 57.85 57.37 2v48 n ARG 28 Cb 0.60 -1.03 0.00 0.00 0.45 0.00 0.00 32.46 32.48 2v48 n ARG 28 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2v48 n ASP 29 N -0.86 0.86 -4.59 6.15 10.43 -1.26 -4.86 116.55 122.42 2v48 n ASP 29 Ca 0.00 -0.87 -0.29 0.00 2.57 0.00 0.00 54.79 56.20 2v48 n ASP 29 Cb 0.00 -0.22 0.21 0.00 1.84 0.00 0.00 41.12 42.95 2v48 n ASP 29 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 2v48 s GLY 30 N 0.19 1.57 -0.84 0.44 0.00 -0.77 -4.83 107.32 103.07 2v48 s GLY 30 Ca 0.00 -0.18 -0.25 0.00 0.00 0.00 0.00 44.72 44.29 2v48 s GLY 30 CO 0.00 0.46 2.20 1.25 0.00 0.00 0.00 173.10 177.01 2v48 s LYS 31 N -4.71 2.02 0.26 2.90 2.20 -1.26 -4.90 119.74 116.24 2v48 s LYS 31 Ca 0.67 0.13 -0.31 0.00 -0.36 0.00 0.00 55.97 56.10 2v48 s LYS 31 Cb -0.22 -4.91 -0.11 0.00 -1.51 0.00 0.00 37.83 31.08 2v48 s LYS 31 CO 0.61 -3.98 1.60 1.52 -0.36 0.00 0.00 175.35 174.73 2v48 s TYR 32 N 12.71 2.85 0.11 4.03 1.13 -1.26 -4.89 117.35 132.04 2v48 s TYR 32 Ca 0.82 0.71 -0.29 0.00 -1.41 0.00 0.00 57.07 56.90 2v48 s TYR 32 Cb -0.10 -4.03 -0.09 0.00 -1.10 0.00 0.00 41.96 36.64 2v48 s TYR 32 CO 0.04 -3.60 1.61 0.82 -2.51 0.00 0.00 175.55 171.91 2v48 h ILE 33 N 3.57 0.26 -2.63 -3.49 1.08 -1.45 -3.44 117.51 111.42 2v48 h ILE 33 Ca -0.46 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 63.90 2v48 h ILE 33 Cb 1.21 0.26 -0.27 0.00 -3.07 0.00 0.00 36.82 34.95 2v48 h ILE 33 CO 0.84 0.00 -0.34 -0.70 -0.69 0.00 0.00 178.15 177.25 2v48 s GLU 34 N -5.98 0.35 -0.03 2.37 -6.30 -0.85 -5.03 118.70 103.22 2v48 s GLU 34 Ca -0.16 0.86 -0.28 0.00 -2.50 0.00 0.00 54.97 52.89 2v48 s GLU 34 Cb 0.08 0.09 -0.03 0.00 0.00 0.00 0.00 34.13 34.27 2v48 s GLU 34 CO 0.64 -0.20 0.89 0.21 0.02 0.00 0.00 175.26 176.82 2v48 s LYS 35 N 1.88 4.51 0.00 4.30 2.20 -1.26 -2.64 119.74 128.73 2v48 s LYS 35 Ca -0.06 1.24 0.00 0.00 -0.36 0.00 0.00 55.97 56.79 2v48 s LYS 35 Cb -0.10 -3.46 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 2v48 s LYS 35 CO -0.12 -0.02 0.00 0.44 -0.36 0.00 0.00 175.35 175.28 2v48 n ILE 36 N 3.89 0.00 -2.14 5.43 -5.35 -0.65 -5.01 119.36 115.53 2v48 n ILE 36 Ca 0.04 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.52 2v48 n ILE 36 Cb 0.51 -0.08 0.00 0.00 -1.74 0.00 0.00 39.64 38.33 2v48 n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2v48 n GLY 37 N 2.28 2.76 3.79 3.28 0.00 -0.65 -1.96 105.19 114.69 2v48 n GLY 37 Ca 0.00 -0.75 -0.04 0.00 0.00 0.00 0.00 46.02 45.22 2v48 n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2v48 s TYR 38 N -3.13 -0.13 -0.30 1.61 -0.85 -1.25 -0.44 117.35 112.86 2v48 s TYR 38 Ca 0.00 -0.24 -0.15 0.00 -0.52 0.00 0.00 57.07 56.16 2v48 s TYR 38 Cb 0.00 0.67 0.16 0.00 0.38 0.00 0.00 41.96 43.17 2v48 s TYR 38 CO 0.00 -0.97 1.00 -0.47 -1.52 0.00 0.00 175.55 173.60 2v48 s TYR 39 N -3.36 -0.60 -0.68 -3.49 5.04 -1.19 -3.31 117.35 109.76 2v48 s TYR 39 Ca 0.13 1.10 -0.17 0.00 -2.44 0.00 0.00 57.07 55.68 2v48 s TYR 39 Cb -0.03 0.36 0.14 0.00 0.35 0.00 0.00 41.96 42.79 2v48 s TYR 39 CO 0.04 -0.30 0.71 0.34 -1.34 0.00 0.00 175.55 175.00 2v48 s ASP 40 N 2.01 6.38 0.20 4.32 3.68 -1.26 -3.34 116.67 128.66 2v48 s ASP 40 Ca -0.05 -1.92 0.11 0.00 2.13 0.00 0.00 52.55 52.82 2v48 s ASP 40 Cb -0.05 -2.26 0.59 0.00 -1.45 0.00 0.00 42.92 39.75 2v48 s ASP 40 CO -0.16 -0.90 1.26 -0.81 0.13 0.00 0.00 175.17 174.69 2v48 n PRO 41 N 5.46 0.07 0.00 4.34 -0.04 -1.26 0.79 135.00 144.36 2v48 n PRO 41 Ca -0.01 0.53 0.12 0.00 -0.04 0.00 0.00 63.50 64.10 2v48 n PRO 41 Cb 0.44 -1.87 0.15 0.00 -0.04 0.00 0.00 33.50 32.17 2v48 n PRO 41 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2v48 n ARG 42 N -1.87 1.55 -2.04 0.54 1.74 -1.26 -4.96 116.66 110.36 2v48 n ARG 42 Ca -0.01 -1.20 -0.03 0.00 -0.77 0.00 0.00 57.85 55.84 2v48 n ARG 42 Cb 0.15 -1.48 -0.00 0.00 -1.02 0.00 0.00 32.46 30.11 2v48 n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2v48 n LYS 43 N 0.32 -2.27 0.00 5.56 4.01 0.24 -4.80 118.16 121.22 2v48 n LYS 43 Ca 0.12 0.14 0.00 0.00 -0.51 0.00 0.00 58.31 58.06 2v48 n LYS 43 Cb 0.48 -4.51 0.00 0.00 -0.51 0.00 0.00 35.03 30.49 2v48 n LYS 43 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2v48 n THR 44 N -2.21 0.21 -4.18 -0.18 -2.24 -1.26 -4.64 114.28 99.77 2v48 n THR 44 Ca -0.03 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.55 2v48 n THR 44 Cb 0.39 -0.55 -0.16 0.00 -2.10 0.00 0.00 70.33 67.91 2v48 n THR 44 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2v48 s THR 45 N -0.72 0.54 0.46 4.28 2.01 -1.26 -5.01 115.64 115.93 2v48 s THR 45 Ca 0.00 -0.13 0.32 0.00 0.31 0.00 0.00 61.69 62.19 2v48 s THR 45 Cb 0.00 -0.56 0.52 0.00 0.01 0.00 0.00 72.50 72.47 2v48 s THR 45 CO 0.00 0.22 1.65 1.55 -0.69 0.00 0.00 174.62 177.35 2v48 h PRO 46 N 7.13 0.10 -3.73 4.92 0.13 -2.03 -3.32 132.00 135.20 2v48 h PRO 46 Ca -0.38 -0.01 -0.52 0.00 -0.87 0.00 0.00 66.00 64.22 2v48 h PRO 46 Cb 1.15 -0.02 -0.39 0.00 0.13 0.00 0.00 31.00 31.87 2v48 h PRO 46 CO 0.48 0.06 -0.77 0.34 -0.23 0.00 0.00 178.00 177.88 2v48 s ASP 47 N -4.55 2.87 0.00 1.44 -1.08 -1.26 -5.07 116.67 109.02 2v48 s ASP 47 Ca -0.07 -0.77 0.00 0.00 -0.52 0.00 0.00 52.55 51.19 2v48 s ASP 47 Cb 0.28 -0.69 0.00 0.00 -1.46 0.00 0.00 42.92 41.06 2v48 s ASP 47 CO 0.83 -0.27 0.00 -2.67 0.52 0.00 0.00 175.17 173.58 2v48 n TRP 48 N 4.99 0.00 -1.22 -5.34 4.27 -1.25 -5.00 117.44 113.89 2v48 n TRP 48 Ca -0.09 0.00 -0.47 0.00 -3.89 0.00 0.00 57.50 53.05 2v48 n TRP 48 Cb 0.47 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.36 2v48 n TRP 48 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 2v48 n LEU 49 N 0.00 -0.20 -3.53 5.67 7.94 -1.21 -4.72 117.00 120.96 2v48 n LEU 49 Ca 0.00 0.95 0.00 0.00 -1.11 0.00 0.00 56.01 55.85 2v48 n LEU 49 Cb 0.00 -0.76 -0.04 0.00 0.53 0.00 0.00 43.42 43.15 2v48 n LEU 49 CO 0.00 -1.74 0.37 -0.75 -1.11 0.00 0.00 177.39 174.16 2v48 s LYS 50 N -0.15 0.48 0.07 1.96 2.36 -1.21 -4.99 119.74 118.26 2v48 s LYS 50 Ca 0.71 1.18 0.06 0.00 -2.55 0.00 0.00 55.97 55.37 2v48 s LYS 50 Cb -0.99 0.71 -0.04 0.00 -1.05 0.00 0.00 37.83 36.46 2v48 s LYS 50 CO 0.47 -0.19 -0.09 0.08 1.55 0.00 0.00 175.35 177.17 2v48 s VAL 51 N 2.76 3.46 -1.09 4.02 1.01 -1.26 -3.95 120.40 125.34 2v48 s VAL 51 Ca -0.03 -1.10 -0.05 0.00 0.00 0.00 0.00 61.98 60.79 2v48 s VAL 51 Cb -0.10 -2.58 0.08 0.00 0.00 0.00 0.00 36.38 33.78 2v48 s VAL 51 CO -0.18 0.21 2.54 -0.67 0.00 0.00 0.00 175.10 177.00 2v48 n ASP 52 N 0.99 7.64 -0.10 3.32 4.64 -0.83 -4.87 116.55 127.34 2v48 n ASP 52 Ca -0.14 -3.11 -0.03 0.00 -1.38 0.00 0.00 54.79 50.14 2v48 n ASP 52 Cb 0.52 -1.34 -0.02 0.00 -1.04 0.00 0.00 41.12 39.24 2v48 n ASP 52 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 2v48 n VAL 53 N 1.64 -0.16 -0.28 5.18 0.24 -1.26 -0.47 118.33 123.22 2v48 n VAL 53 Ca 0.60 0.62 0.17 0.00 -2.04 0.00 0.00 64.34 63.68 2v48 n VAL 53 Cb 0.34 -0.77 0.32 0.00 -1.47 0.00 0.00 33.84 32.25 2v48 n VAL 53 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2v48 n GLU 54 N -4.05 -0.06 0.17 7.34 -0.58 -1.26 -0.66 120.64 121.55 2v48 n GLU 54 Ca 0.00 1.21 -0.07 0.00 -0.42 0.00 0.00 57.16 57.89 2v48 n GLU 54 Cb 0.06 -2.00 -0.03 0.00 -0.57 0.00 0.00 31.44 28.90 2v48 n GLU 54 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2v48 h ARG 55 N 0.00 -0.45 -0.79 3.49 2.47 -1.19 -3.16 114.38 114.75 2v48 h ARG 55 Ca 0.56 0.03 0.15 0.00 -1.26 0.00 0.00 59.98 59.47 2v48 h ARG 55 Cb 1.28 0.10 -0.15 0.00 -1.65 0.00 0.00 29.97 29.55 2v48 h ARG 55 CO -0.74 -0.30 -0.21 0.00 0.56 0.00 0.00 179.97 179.28 2v48 n ALA 56 N -2.44 0.16 -0.19 0.04 0.00 0.17 0.16 120.51 118.41 2v48 n ALA 56 Ca -0.06 0.86 -0.12 0.00 0.00 0.00 0.00 53.44 54.12 2v48 n ALA 56 Cb 0.18 -0.51 -0.09 0.00 0.00 0.00 0.00 19.45 19.04 2v48 n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2v48 h ARG 57 N 0.00 -0.27 -0.34 0.00 2.47 -1.22 -1.51 114.38 113.52 2v48 h ARG 57 Ca 0.37 0.02 0.04 0.00 -1.26 0.00 0.00 59.98 59.15 2v48 h ARG 57 Cb 0.57 0.06 -0.07 0.00 -1.65 0.00 0.00 29.97 28.88 2v48 h ARG 57 CO -0.81 -0.18 -0.47 -0.92 0.56 0.00 0.00 179.97 178.15 2v48 h TYR 58 N -0.28 -1.43 -0.91 3.04 5.03 0.16 0.37 116.97 122.95 2v48 h TYR 58 Ca 0.09 0.07 0.15 0.00 2.58 0.00 0.00 58.73 61.62 2v48 h TYR 58 Cb 0.51 0.67 -0.10 0.00 1.55 0.00 0.00 36.73 39.36 2v48 h TYR 58 CO -0.79 -0.41 0.51 -1.49 -1.32 0.00 0.00 178.16 174.65 2v48 h TRP 59 N -0.34 0.90 -0.13 -3.82 4.06 -0.88 0.13 115.95 115.86 2v48 h TRP 59 Ca 0.06 0.03 -0.17 0.00 2.06 0.00 0.00 58.89 60.87 2v48 h TRP 59 Cb 0.50 -0.26 -0.00 0.00 -1.00 0.00 0.00 29.16 28.39 2v48 h TRP 59 CO -0.70 0.23 -0.64 -0.07 -3.56 0.00 0.00 178.44 173.70 2v48 h LEU 60 N 0.71 0.57 0.00 -4.49 3.38 -0.70 -2.78 115.31 112.00 2v48 h LEU 60 Ca 0.50 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2v48 h LEU 60 Cb 0.70 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2v48 h LEU 60 CO -0.36 1.06 0.07 -1.54 0.09 0.00 0.00 178.44 177.77 2v48 n SER 61 N -3.90 0.00 -2.73 -0.43 3.41 0.13 0.45 113.62 110.53 2v48 n SER 61 Ca -0.04 0.14 -0.05 0.00 -0.26 0.00 0.00 58.87 58.66 2v48 n SER 61 Cb 0.66 -0.14 0.05 0.00 -0.26 0.00 0.00 64.21 64.52 2v48 n SER 61 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2v48 n VAL 62 N -1.05 0.96 -2.43 -3.33 0.24 -1.05 -5.05 118.33 106.62 2v48 n VAL 62 Ca 0.00 -2.75 -0.02 0.00 -2.04 0.00 0.00 64.34 59.53 2v48 n VAL 62 Cb 0.07 0.96 -0.01 0.00 -1.47 0.00 0.00 33.84 33.39 2v48 n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2v48 n GLY 63 N -0.40 -5.61 0.00 7.63 0.00 0.17 -5.02 105.19 101.96 2v48 n GLY 63 Ca 0.06 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.64 2v48 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2v48 n ALA 64 N 1.83 0.00 0.00 4.61 0.00 -1.24 -4.76 120.51 120.95 2v48 n ALA 64 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2v48 n ALA 64 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 2v48 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2v48 n GLN 65 N 0.00 0.00 -1.09 0.00 0.00 -1.26 -3.49 117.38 111.54 2v48 n GLN 65 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 57.00 56.71 2v48 n GLN 65 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 30.24 30.44 2v48 n GLN 65 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2v48 s PRO 66 N 0.00 0.06 0.66 2.61 0.04 -1.26 -4.45 135.00 132.66 2v48 s PRO 66 Ca 0.00 0.47 -0.17 0.00 0.04 0.00 0.00 61.00 61.34 2v48 s PRO 66 Cb 0.00 -1.70 -0.10 0.00 0.04 0.00 0.00 34.50 32.74 2v48 s PRO 66 CO 0.00 -2.97 0.15 2.41 0.04 0.00 0.00 177.00 176.63 2v48 n THR 67 N -4.34 1.06 0.04 1.26 -1.04 -0.24 -4.40 114.28 106.63 2v48 n THR 67 Ca 0.05 -0.46 -0.12 0.00 -2.04 0.00 0.00 64.05 61.48 2v48 n THR 67 Cb 0.57 -0.39 -0.07 0.00 -1.82 0.00 0.00 70.33 68.62 2v48 n THR 67 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2v48 h ASP 68 N -0.22 -0.04 -0.21 8.00 3.32 -1.92 1.46 116.42 126.81 2v48 h ASP 68 Ca -0.44 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.54 2v48 h ASP 68 Cb 1.38 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.94 2v48 h ASP 68 CO 0.41 -0.02 -0.12 0.00 -1.72 0.00 0.00 179.24 177.79 2v48 h THR 69 N -0.03 1.24 -0.26 0.35 1.03 -1.99 -2.39 112.91 110.88 2v48 h THR 69 Ca 0.01 -1.08 -0.06 0.00 -0.01 0.00 0.00 66.41 65.27 2v48 h THR 69 Cb 0.03 1.11 -0.01 0.00 -1.07 0.00 0.00 68.15 68.21 2v48 h THR 69 CO -0.01 0.36 -0.07 0.00 -0.01 0.00 0.00 175.52 175.79 2v48 h ALA 70 N 1.32 0.36 -0.96 0.00 0.00 -1.71 -2.82 119.26 115.45 2v48 h ALA 70 Ca 0.10 -0.27 0.14 0.00 0.00 0.00 0.00 54.91 54.87 2v48 h ALA 70 Cb 0.53 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.08 2v48 h ALA 70 CO 0.03 0.16 -0.41 -2.13 0.00 0.00 0.00 179.25 176.91 2v48 n ARG 71 N -4.54 -0.26 0.10 0.00 0.63 0.49 -0.59 116.66 112.50 2v48 n ARG 71 Ca -0.04 1.47 -0.14 0.00 -0.92 0.00 0.00 57.85 58.22 2v48 n ARG 71 Cb 0.30 -2.17 -0.08 0.00 0.45 0.00 0.00 32.46 30.97 2v48 n ARG 71 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2v48 h ARG 72 N 0.00 -0.63 0.00 -0.14 2.43 -1.20 0.95 114.38 115.80 2v48 h ARG 72 Ca 0.30 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 2v48 h ARG 72 Cb 0.54 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 2v48 h ARG 72 CO -0.94 -0.42 0.03 1.28 -1.51 0.00 0.00 179.97 178.41 2v48 n LEU 73 N -5.47 0.00 -0.09 3.80 7.99 0.25 0.59 117.00 124.08 2v48 n LEU 73 Ca -0.07 0.05 -0.12 0.00 -0.01 0.00 0.00 56.01 55.85 2v48 n LEU 73 Cb 0.38 -0.05 -0.04 0.00 -0.11 0.00 0.00 43.42 43.61 2v48 n LEU 73 CO 0.18 -0.05 -0.78 0.18 -1.51 0.00 0.00 177.39 175.41 2v48 n LEU 74 N -0.89 1.82 0.03 2.23 4.77 0.26 -3.37 117.00 121.86 2v48 n LEU 74 Ca 0.00 0.31 -0.11 0.00 -0.03 0.00 0.00 56.01 56.18 2v48 n LEU 74 Cb 0.03 -0.70 -0.04 0.00 -2.33 0.00 0.00 43.42 40.37 2v48 n LEU 74 CO 0.00 -0.13 0.71 -0.09 -1.33 0.00 0.00 177.39 176.55 2v48 h ARG 75 N -0.89 -0.32 0.00 3.23 2.43 0.08 0.75 114.38 119.65 2v48 h ARG 75 Ca -0.15 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2v48 h ARG 75 Cb 1.04 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 2v48 h ARG 75 CO -0.09 -0.22 0.00 0.37 -1.51 0.00 0.00 179.97 178.53 2v48 h GLN 76 N -0.34 0.00 -0.01 0.20 4.15 -0.08 0.91 115.11 119.94 2v48 h GLN 76 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.50 2v48 h GLN 76 Cb 0.44 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.13 2v48 h GLN 76 CO -0.25 0.00 -0.23 0.00 -1.93 0.00 0.00 178.83 176.42 2v48 n ALA 77 N -1.84 3.02 -2.35 3.38 0.00 0.24 -4.91 120.51 118.05 2v48 n ALA 77 Ca -0.01 -0.38 -0.03 0.00 0.00 0.00 0.00 53.44 53.02 2v48 n ALA 77 Cb 0.06 -1.17 0.01 0.00 0.00 0.00 0.00 19.45 18.36 2v48 n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2v48 n GLY 78 N 1.33 0.43 0.00 0.00 0.00 0.32 -4.91 105.19 102.36 2v48 n GLY 78 Ca 0.12 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2v48 n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2v48 n VAL 79 N -1.88 0.00 0.24 1.61 0.31 0.13 -4.73 118.33 114.01 2v48 n VAL 79 Ca -0.03 0.31 -0.13 0.00 -0.01 0.00 0.00 64.34 64.49 2v48 n VAL 79 Cb 0.52 -1.13 -0.07 0.00 -0.91 0.00 0.00 33.84 32.25 2v48 n VAL 79 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2v48 h PHE 80 N 0.00 -0.90 0.00 3.52 -1.00 -1.85 -3.45 116.94 113.26 2v48 h PHE 80 Ca 0.00 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2v48 h PHE 80 Cb 0.00 0.34 0.00 0.00 3.61 0.00 0.00 35.95 39.90 2v48 h PHE 80 CO 0.00 -0.47 0.00 -2.13 -1.61 0.00 0.00 178.31 174.10 2v48 n ARG 81 N -4.41 0.00 -0.37 1.51 0.63 -1.26 -4.84 116.66 107.92 2v48 n ARG 81 Ca -0.09 0.00 0.10 0.00 -0.92 0.00 0.00 57.85 56.94 2v48 n ARG 81 Cb 0.32 0.00 0.28 0.00 0.45 0.00 0.00 32.46 33.51 2v48 n ARG 81 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2v48 n GLN 82 N 0.00 2.97 0.00 -0.14 0.00 -1.26 -4.99 117.38 113.95 2v48 n GLN 82 Ca 0.00 -2.55 0.00 0.00 0.00 0.00 0.00 57.00 54.45 2v48 n GLN 82 Cb 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 30.24 28.68 2v48 n GLN 82 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2v48 n GLU 83 N 1.17 0.00 0.00 2.61 -0.58 -1.26 -5.28 120.64 117.30 2v48 n GLU 83 Ca 0.21 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.95 2v48 n GLU 83 Cb 0.63 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.50 2v48 n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65