#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qal s VAL 2 N 0.00 4.78 0.33 1.12 0.11 -1.26 0.16 120.40 125.63 2qal s VAL 2 Ca 0.00 1.91 0.06 0.00 -2.93 0.00 0.00 61.98 61.01 2qal s VAL 2 Cb 0.00 -4.26 -0.03 0.00 -1.53 0.00 0.00 36.38 30.57 2qal s VAL 2 CO 0.00 -0.06 0.29 0.42 -3.33 0.00 0.00 175.10 172.42 2qal s THR 3 N 2.51 0.00 -0.21 5.04 -4.23 -0.33 -2.52 115.64 115.90 2qal s THR 3 Ca 0.43 -1.96 0.01 0.00 -1.18 0.00 0.00 61.69 59.00 2qal s THR 3 Cb -0.17 -2.52 0.04 0.00 1.34 0.00 0.00 72.50 71.20 2qal s THR 3 CO 0.12 0.00 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.43 2qal s ILE 4 N -3.43 1.88 0.29 2.99 1.01 -1.26 -1.15 121.20 121.52 2qal s ILE 4 Ca 0.40 -1.13 0.05 0.00 0.00 0.00 0.00 60.65 59.96 2qal s ILE 4 Cb 0.02 -1.89 -0.02 0.00 0.01 0.00 0.00 42.46 40.59 2qal s ILE 4 CO 0.26 0.23 0.18 -2.11 0.00 0.00 0.00 174.94 173.50 2qal n ARG 5 N 4.61 0.46 -4.01 2.79 1.85 -1.15 -1.10 116.66 120.10 2qal n ARG 5 Ca -0.16 -2.65 -0.25 0.00 -1.00 0.00 0.00 57.85 53.79 2qal n ARG 5 Cb 0.46 1.86 -0.04 0.00 -1.05 0.00 0.00 32.46 33.69 2qal n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2qal s LEU 6 N 0.00 4.10 -0.04 2.89 1.02 -1.26 -1.74 118.68 123.65 2qal s LEU 6 Ca 0.25 0.01 -0.02 0.00 0.02 0.00 0.00 54.13 54.39 2qal s LEU 6 Cb 0.01 -2.67 0.03 0.00 0.02 0.00 0.00 46.19 43.58 2qal s LEU 6 CO 0.18 0.03 0.06 0.00 0.02 0.00 0.00 176.35 176.64 2qal s ALA 7 N -1.81 0.22 0.18 4.21 0.00 -1.00 -4.82 121.76 118.74 2qal s ALA 7 Ca 0.33 0.20 -0.32 0.00 0.00 0.00 0.00 51.96 52.17 2qal s ALA 7 Cb -0.10 -0.59 -0.11 0.00 0.00 0.00 0.00 23.12 22.33 2qal s ALA 7 CO 0.26 -0.45 1.60 0.50 0.00 0.00 0.00 175.76 177.67 2qal s ARG 8 N 2.07 4.19 0.00 0.00 3.52 -1.26 -0.78 118.95 126.69 2qal s ARG 8 Ca 0.04 2.42 0.00 0.00 -0.13 0.00 0.00 55.73 58.06 2qal s ARG 8 Cb -0.12 -3.13 0.00 0.00 -1.56 0.00 0.00 34.95 30.14 2qal s ARG 8 CO -0.03 -0.63 0.65 0.72 -0.81 0.00 0.00 175.30 175.19 2qal n HIS 9 N 3.82 0.00 -2.88 5.12 8.25 -1.07 -4.92 115.22 123.53 2qal n HIS 9 Ca 0.14 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.40 2qal n HIS 9 Cb 0.38 0.01 0.05 0.00 1.12 0.00 0.00 29.99 31.54 2qal n HIS 9 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2qal s GLY 10 N -0.37 1.83 1.03 -1.41 0.00 -1.26 -4.73 107.32 102.40 2qal s GLY 10 Ca 0.00 -1.76 -0.14 0.00 0.00 0.00 0.00 44.72 42.82 2qal s GLY 10 CO 0.00 -1.42 1.12 0.00 0.00 0.00 0.00 173.10 172.80 2qal s ALA 11 N -2.64 1.09 0.32 3.20 0.00 0.70 -4.67 121.76 119.75 2qal s ALA 11 Ca 0.59 -0.58 -0.29 0.00 0.00 0.00 0.00 51.96 51.68 2qal s ALA 11 Cb -0.08 -3.03 -0.12 0.00 0.00 0.00 0.00 23.12 19.89 2qal s ALA 11 CO 0.38 -2.89 1.37 1.17 0.00 0.00 0.00 175.76 175.79 2qal n LYS 12 N -4.21 2.24 0.00 0.00 4.81 -1.26 -1.12 118.16 118.62 2qal n LYS 12 Ca 0.08 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.30 2qal n LYS 12 Cb 0.58 -2.43 0.00 0.00 0.02 0.00 0.00 35.03 33.21 2qal n LYS 12 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2qal n LYS 13 N 1.05 0.00 -3.88 1.64 5.02 -1.26 -4.79 118.16 115.94 2qal n LYS 13 Ca 0.06 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.07 2qal n LYS 13 Cb 0.35 -2.59 -0.12 0.00 -0.02 0.00 0.00 35.03 32.66 2qal n LYS 13 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2qal s ARG 14 N 0.00 2.26 1.03 1.97 0.52 -0.27 -5.10 118.95 119.36 2qal s ARG 14 Ca 0.00 -3.12 -0.17 0.00 -0.52 0.00 0.00 55.73 51.92 2qal s ARG 14 Cb 0.00 -3.27 0.25 0.00 0.52 0.00 0.00 34.95 32.45 2qal s ARG 14 CO 0.00 -1.26 1.03 -0.35 0.02 0.00 0.00 175.30 174.74 2qal n PRO 15 N 2.27 -2.44 -2.69 3.54 -0.04 -1.22 -0.21 135.00 134.20 2qal n PRO 15 Ca 0.17 -1.62 -0.05 0.00 -0.04 0.00 0.00 63.50 61.96 2qal n PRO 15 Cb 0.35 -1.39 0.05 0.00 -0.04 0.00 0.00 33.50 32.47 2qal n PRO 15 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2qal n PHE 16 N -4.34 -1.47 -1.87 0.54 -0.00 -1.26 -4.48 117.46 104.57 2qal n PHE 16 Ca 0.14 -0.93 -0.38 0.00 -0.00 0.00 0.00 57.45 56.27 2qal n PHE 16 Cb 0.52 1.22 0.03 0.00 -0.00 0.00 0.00 39.48 41.24 2qal n PHE 16 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.76 177.47 2qal s TYR 17 N 0.60 2.43 -0.17 -5.13 1.51 -1.19 -2.61 117.35 112.79 2qal s TYR 17 Ca 0.27 1.38 0.01 0.00 -1.01 0.00 0.00 57.07 57.72 2qal s TYR 17 Cb 0.16 -3.75 0.03 0.00 -0.11 0.00 0.00 41.96 38.29 2qal s TYR 17 CO -0.11 -2.65 -0.14 -1.14 -1.11 0.00 0.00 175.55 170.40 2qal s GLN 18 N -2.77 2.38 -0.08 -0.62 2.00 0.04 -2.13 119.66 118.48 2qal s GLN 18 Ca 0.68 -0.68 -0.30 0.00 -2.00 0.00 0.00 55.36 53.06 2qal s GLN 18 Cb -0.39 -2.27 -0.04 0.00 0.80 0.00 0.00 33.01 31.11 2qal s GLN 18 CO 0.47 -0.28 1.35 0.08 -0.50 0.00 0.00 175.29 176.42 2qal s VAL 19 N 1.42 3.99 -0.12 1.34 1.01 -0.96 -2.38 120.40 124.70 2qal s VAL 19 Ca 0.04 1.28 -0.13 0.00 0.00 0.00 0.00 61.98 63.16 2qal s VAL 19 Cb -0.14 -3.83 0.04 0.00 0.00 0.00 0.00 36.38 32.45 2qal s VAL 19 CO -0.11 -0.06 0.37 0.54 0.00 0.00 0.00 175.10 175.85 2qal s VAL 20 N 3.00 0.01 -0.27 2.92 0.11 -0.71 -1.50 120.40 123.96 2qal s VAL 20 Ca 0.61 -0.06 -0.27 0.00 -2.93 0.00 0.00 61.98 59.33 2qal s VAL 20 Cb -0.27 -0.54 0.01 0.00 -1.53 0.00 0.00 36.38 34.04 2qal s VAL 20 CO 0.22 -0.03 0.95 -0.69 -3.33 0.00 0.00 175.10 172.22 2qal s VAL 21 N -0.02 4.70 0.00 2.04 1.01 -0.67 -2.91 120.40 124.56 2qal s VAL 21 Ca -0.02 1.71 0.00 0.00 0.00 0.00 0.00 61.98 63.67 2qal s VAL 21 Cb -0.03 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.09 2qal s VAL 21 CO 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 175.10 174.88 2qal n ALA 22 N 6.34 0.00 -3.02 5.51 0.00 -0.30 0.26 120.51 129.30 2qal n ALA 22 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.17 2qal n ALA 22 Cb 0.47 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.80 2qal n ALA 22 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2qal s ASP 23 N -0.29 5.13 0.31 0.00 -1.08 -1.26 -1.19 116.67 118.29 2qal s ASP 23 Ca 0.00 -0.15 0.02 0.00 -0.52 0.00 0.00 52.55 51.90 2qal s ASP 23 Cb 0.00 -1.90 0.78 0.00 -1.46 0.00 0.00 42.92 40.34 2qal s ASP 23 CO 0.00 0.04 1.57 0.77 0.52 0.00 0.00 175.17 178.06 2qal h SER 24 N 7.71 -0.48 -0.68 -0.34 4.64 -0.65 0.25 113.55 123.99 2qal h SER 24 Ca -0.37 0.28 0.10 0.00 -0.47 0.00 0.00 61.79 61.34 2qal h SER 24 Cb 1.18 0.49 -0.07 0.00 -0.31 0.00 0.00 62.40 63.68 2qal h SER 24 CO 0.61 -0.37 0.30 0.03 -0.87 0.00 0.00 176.83 176.53 2qal h ARG 25 N 0.00 0.49 -6.91 4.77 -0.00 -1.95 -3.42 114.38 107.36 2qal h ARG 25 Ca 0.61 -0.03 -0.55 0.00 -0.50 0.00 0.00 59.98 59.51 2qal h ARG 25 Cb 1.27 -0.11 0.12 0.00 0.00 0.00 0.00 29.97 31.25 2qal h ARG 25 CO -0.93 0.33 0.65 0.09 0.00 0.00 0.00 179.97 180.10 2qal n ASN 26 N -4.93 3.18 -4.42 7.04 4.13 0.86 -4.96 115.26 116.15 2qal n ASN 26 Ca 0.11 1.15 -0.29 0.00 1.68 0.00 0.00 54.58 57.22 2qal n ASN 26 Cb 0.30 -1.57 0.24 0.00 -1.54 0.00 0.00 39.78 37.20 2qal n ASN 26 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qal n ALA 27 N -0.02 -3.21 -0.53 5.41 0.00 -1.26 -4.86 120.51 116.03 2qal n ALA 27 Ca 0.05 -1.21 0.00 0.00 0.00 0.00 0.00 53.44 52.28 2qal n ALA 27 Cb 0.40 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 17.96 2qal n ALA 27 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2qal n ARG 28 N -4.28 0.00 0.00 0.00 -4.01 -1.26 -2.14 116.66 104.97 2qal n ARG 28 Ca 0.02 0.44 0.00 0.00 -1.04 0.00 0.00 57.85 57.28 2qal n ARG 28 Cb 0.56 -1.24 0.00 0.00 -3.04 0.00 0.00 32.46 28.74 2qal n ARG 28 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 2qal n ASN 29 N -1.51 0.18 -2.75 2.89 3.02 -1.26 -4.79 115.26 111.03 2qal n ASN 29 Ca 0.00 -1.81 0.00 0.00 -0.03 0.00 0.00 54.58 52.74 2qal n ASN 29 Cb 0.00 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 2qal n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qal n GLY 30 N 0.34 -1.21 3.78 7.41 0.00 -0.91 -4.99 105.19 109.60 2qal n GLY 30 Ca 0.00 -1.20 -0.38 0.00 0.00 0.00 0.00 46.02 44.44 2qal n GLY 30 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qal s ARG 31 N 0.00 4.59 0.41 1.61 3.52 -1.26 -4.96 118.95 122.86 2qal s ARG 31 Ca 0.00 1.27 0.05 0.00 -0.13 0.00 0.00 55.73 56.93 2qal s ARG 31 Cb 0.00 -2.98 -0.02 0.00 -1.56 0.00 0.00 34.95 30.39 2qal s ARG 31 CO 0.00 0.39 0.19 -0.59 -0.81 0.00 0.00 175.30 174.47 2qal s PHE 32 N -1.45 1.78 -0.22 5.12 -0.71 -1.26 -4.49 117.98 116.76 2qal s PHE 32 Ca 0.45 -1.45 -0.17 0.00 -1.04 0.00 0.00 56.93 54.72 2qal s PHE 32 Cb -0.21 -1.03 -0.14 0.00 -1.21 0.00 0.00 43.02 40.44 2qal s PHE 32 CO 0.25 -0.51 -0.06 -0.89 -1.34 0.00 0.00 175.22 172.68 2qal n ILE 33 N -0.89 1.51 -3.64 -4.49 5.41 0.14 -4.95 119.36 112.46 2qal n ILE 33 Ca -0.03 -0.09 -0.06 0.00 1.00 0.00 0.00 62.75 63.57 2qal n ILE 33 Cb 0.64 -2.07 -0.07 0.00 -0.71 0.00 0.00 39.64 37.43 2qal n ILE 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2qal s GLU 34 N -2.44 0.66 -0.29 0.38 -1.05 -1.01 -5.02 118.70 109.93 2qal s GLU 34 Ca -0.30 1.17 -0.29 0.00 -0.15 0.00 0.00 54.97 55.40 2qal s GLU 34 Cb 0.08 0.17 -0.01 0.00 -0.44 0.00 0.00 34.13 33.93 2qal s GLU 34 CO 0.50 -0.14 1.49 0.50 0.95 0.00 0.00 175.26 178.55 2qal s ARG 35 N 1.67 3.76 -0.34 -4.83 3.00 -1.26 -1.67 118.95 119.27 2qal s ARG 35 Ca -0.10 1.38 0.02 0.00 -1.00 0.00 0.00 55.73 56.03 2qal s ARG 35 Cb -0.05 -4.00 0.09 0.00 0.00 0.00 0.00 34.95 31.00 2qal s ARG 35 CO -0.19 -1.33 0.07 0.54 0.00 0.00 0.00 175.30 174.38 2qal s VAL 36 N 5.11 2.57 0.24 7.11 0.11 -0.56 -4.96 120.40 130.02 2qal s VAL 36 Ca 0.65 -2.12 0.00 0.00 -2.93 0.00 0.00 61.98 57.58 2qal s VAL 36 Cb -0.20 -2.79 0.00 0.00 -1.53 0.00 0.00 36.38 31.86 2qal s VAL 36 CO 0.28 -0.52 0.00 0.61 -3.33 0.00 0.00 175.10 172.14 2qal n GLY 37 N 4.38 -2.89 3.42 6.54 0.00 -1.25 -4.29 105.19 111.10 2qal n GLY 37 Ca -0.01 -1.30 -0.22 0.00 0.00 0.00 0.00 46.02 44.49 2qal n GLY 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qal s PHE 38 N -3.46 1.73 -0.07 1.61 -0.12 -1.23 -2.27 117.98 114.17 2qal s PHE 38 Ca 0.00 -1.34 -0.18 0.00 -0.05 0.00 0.00 56.93 55.36 2qal s PHE 38 Cb 0.00 -1.01 0.04 0.00 -0.63 0.00 0.00 43.02 41.42 2qal s PHE 38 CO 0.00 -0.42 0.41 0.12 -0.05 0.00 0.00 175.22 175.28 2qal s PHE 39 N -3.38 -0.36 -0.10 3.49 5.36 -0.91 -0.45 117.98 121.64 2qal s PHE 39 Ca 0.31 0.71 -0.03 0.00 -0.96 0.00 0.00 56.93 56.96 2qal s PHE 39 Cb 0.04 0.17 0.04 0.00 -0.34 0.00 0.00 43.02 42.93 2qal s PHE 39 CO 0.17 -0.38 0.06 1.21 -1.46 0.00 0.00 175.22 174.82 2qal s ASN 40 N -0.80 1.70 -0.11 6.13 2.47 -0.31 -3.16 114.94 120.86 2qal s ASN 40 Ca -0.09 -0.22 0.01 0.00 0.42 0.00 0.00 52.86 52.98 2qal s ASN 40 Cb -0.04 -0.25 0.13 0.00 -1.45 0.00 0.00 41.25 39.65 2qal s ASN 40 CO 0.04 -0.28 1.43 -0.81 -3.72 0.00 0.00 177.10 173.77 2qal n PRO 41 N 5.25 1.30 0.00 0.43 -0.04 -1.26 -4.39 135.00 136.29 2qal n PRO 41 Ca -0.05 -0.68 0.00 0.00 -0.04 0.00 0.00 63.50 62.72 2qal n PRO 41 Cb 0.49 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 2qal n PRO 41 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2qal n ILE 42 N 0.37 0.00 -4.75 0.52 2.08 -1.26 -5.04 119.36 111.29 2qal n ILE 42 Ca 0.13 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.44 2qal n ILE 42 Cb 0.70 -0.14 0.00 0.00 -0.75 0.00 0.00 39.64 39.44 2qal n ILE 42 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2qal n ALA 43 N -1.50 0.00 0.00 -1.39 0.00 -1.26 -4.77 120.51 111.58 2qal n ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qal n ALA 43 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qal n ALA 43 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2qal n SER 44 N -3.05 0.00 -3.51 0.00 3.41 -1.26 -4.87 113.62 104.33 2qal n SER 44 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.35 2qal n SER 44 Cb 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 2qal n SER 44 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2qal n GLU 45 N 0.00 -5.00 0.00 4.33 0.00 -1.26 -4.77 120.64 113.94 2qal n GLU 45 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 57.16 57.82 2qal n GLU 45 Cb 0.00 -5.51 0.00 0.00 0.00 0.00 0.00 31.44 25.93 2qal n GLU 45 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 2qal n LYS 46 N -4.29 0.67 0.00 5.31 2.85 -1.26 -4.74 118.16 116.70 2qal n LYS 46 Ca -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 2qal n LYS 46 Cb 0.56 -1.29 0.00 0.00 -0.65 0.00 0.00 35.03 33.65 2qal n LYS 46 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2qal n GLU 47 N 0.31 0.00 -4.11 -1.58 4.71 -1.26 -4.84 120.64 113.86 2qal n GLU 47 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.16 57.03 2qal n GLU 47 Cb 0.22 -2.98 -0.11 0.00 -1.01 0.00 0.00 31.44 27.56 2qal n GLU 47 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 2qal s GLU 48 N 0.00 0.67 0.00 3.49 2.56 -1.26 -5.00 118.70 119.16 2qal s GLU 48 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 54.97 53.94 2qal s GLU 48 Cb 0.00 -0.24 0.00 0.00 2.00 0.00 0.00 34.13 35.89 2qal s GLU 48 CO 0.00 0.02 0.00 0.41 -0.56 0.00 0.00 175.26 175.13 2qal n GLY 49 N 0.75 0.00 3.58 -1.50 0.00 -1.26 -4.78 105.19 101.98 2qal n GLY 49 Ca -0.18 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.84 2qal n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qal s THR 50 N 0.00 -0.99 0.47 2.61 2.01 -1.26 -1.16 115.64 117.32 2qal s THR 50 Ca 0.00 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.04 2qal s THR 50 Cb 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 2qal s THR 50 CO 0.00 0.00 0.11 -0.13 -0.69 0.00 0.00 174.62 173.91 2qal s ARG 51 N 2.89 2.16 0.00 4.92 3.00 0.40 -4.97 118.95 127.35 2qal s ARG 51 Ca -0.03 -2.15 0.00 0.00 0.00 0.00 0.00 55.73 53.55 2qal s ARG 51 Cb -0.12 -1.75 0.00 0.00 0.00 0.00 0.00 34.95 33.07 2qal s ARG 51 CO -0.19 -0.29 0.00 -0.11 0.00 0.00 0.00 175.30 174.71 2qal n LEU 52 N -1.28 0.00 -3.06 2.53 7.94 -1.26 -3.52 117.00 118.35 2qal n LEU 52 Ca -0.09 0.00 -0.00 0.00 -1.11 0.00 0.00 56.01 54.80 2qal n LEU 52 Cb 0.66 0.08 0.00 0.00 0.53 0.00 0.00 43.42 44.69 2qal n LEU 52 CO 0.42 -0.08 0.33 -0.67 -1.11 0.00 0.00 177.39 176.29 2qal n ASP 53 N -1.50 -7.78 -0.29 1.96 4.64 -1.26 -3.94 116.55 108.37 2qal n ASP 53 Ca 0.00 -0.06 0.04 0.00 -1.38 0.00 0.00 54.79 53.39 2qal n ASP 53 Cb 0.00 -5.28 0.13 0.00 -1.04 0.00 0.00 41.12 34.93 2qal n ASP 53 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 2qal h LEU 54 N 0.50 -0.67 -0.63 -2.67 3.38 -1.98 -2.29 115.31 110.95 2qal h LEU 54 Ca -0.01 0.24 0.06 0.00 0.09 0.00 0.00 57.88 58.27 2qal h LEU 54 Cb 1.00 0.48 -0.09 0.00 0.09 0.00 0.00 40.66 42.15 2qal h LEU 54 CO 0.30 -0.27 -0.52 0.44 0.09 0.00 0.00 178.44 178.49 2qal h ASP 55 N 0.02 -1.81 -0.45 -0.43 5.19 -2.00 0.34 116.42 117.27 2qal h ASP 55 Ca 0.42 0.26 0.02 0.00 -0.62 0.00 0.00 57.03 57.11 2qal h ASP 55 Cb 0.69 0.77 -0.03 0.00 0.18 0.00 0.00 39.33 40.94 2qal h ASP 55 CO -0.83 -0.29 0.28 0.03 -3.12 0.00 0.00 179.24 175.31 2qal h ARG 56 N -0.18 0.54 -0.47 3.56 2.47 -1.76 -2.53 114.38 116.01 2qal h ARG 56 Ca 0.10 -0.03 0.09 0.00 -1.26 0.00 0.00 59.98 58.88 2qal h ARG 56 Cb 0.45 -0.12 -0.07 0.00 -1.65 0.00 0.00 29.97 28.58 2qal h ARG 56 CO -0.69 0.36 0.03 0.82 0.56 0.00 0.00 179.97 181.05 2qal h ILE 57 N 0.56 0.67 -0.06 2.04 1.08 -0.77 -2.66 117.51 118.37 2qal h ILE 57 Ca 0.18 -0.05 0.04 0.00 -0.39 0.00 0.00 64.86 64.64 2qal h ILE 57 Cb -0.00 0.51 -0.06 0.00 -3.07 0.00 0.00 36.82 34.20 2qal h ILE 57 CO -0.07 0.03 -0.32 0.00 -0.69 0.00 0.00 178.15 177.09 2qal h ALA 58 N 1.40 -0.42 -0.88 1.87 0.00 0.03 -1.84 119.26 119.42 2qal h ALA 58 Ca 0.23 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.29 2qal h ALA 58 Cb 0.34 0.59 -0.15 0.00 0.00 0.00 0.00 17.79 18.56 2qal h ALA 58 CO -0.36 -0.82 -0.37 1.25 0.00 0.00 0.00 179.25 178.95 2qal h HIS 59 N -0.44 -1.03 0.25 0.00 -0.00 -1.22 0.11 115.15 112.83 2qal h HIS 59 Ca 0.08 0.10 -0.01 0.00 -0.00 0.00 0.00 60.37 60.53 2qal h HIS 59 Cb 0.55 0.58 0.00 0.00 -0.00 0.00 0.00 27.41 28.54 2qal h HIS 59 CO -0.37 -0.40 -0.12 -1.49 -0.00 0.00 0.00 177.93 175.55 2qal h TRP 60 N -0.05 -0.32 -0.76 5.26 4.06 -1.48 -2.36 115.95 120.30 2qal h TRP 60 Ca 0.32 -0.01 0.16 0.00 2.06 0.00 0.00 58.89 61.42 2qal h TRP 60 Cb 0.59 0.10 -0.10 0.00 -1.00 0.00 0.00 29.16 28.75 2qal h TRP 60 CO -0.80 0.02 0.26 0.28 -3.56 0.00 0.00 178.44 174.64 2qal h VAL 61 N -0.70 0.57 0.00 1.49 2.07 -0.75 0.51 116.25 119.44 2qal h VAL 61 Ca -0.03 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2qal h VAL 61 Cb 0.48 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2qal h VAL 61 CO 0.06 0.07 0.00 0.61 0.02 0.00 0.00 177.57 178.32 2qal n GLY 62 N -1.34 -1.36 1.55 2.17 0.00 0.33 -2.72 105.19 103.83 2qal n GLY 62 Ca 0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.27 2qal n GLY 62 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qal n GLN 63 N -1.98 3.50 0.00 1.61 6.02 0.16 -4.89 117.38 121.81 2qal n GLN 63 Ca 0.04 -2.83 0.00 0.00 -0.01 0.00 0.00 57.00 54.20 2qal n GLN 63 Cb 0.28 -1.83 0.00 0.00 1.02 0.00 0.00 30.24 29.72 2qal n GLN 63 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qal n GLY 64 N 1.29 0.76 3.81 1.08 0.00 -0.99 -5.03 105.19 106.12 2qal n GLY 64 Ca 0.26 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 2qal n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qal s ALA 65 N -2.00 2.56 0.00 4.61 0.00 -0.26 -4.75 121.76 121.91 2qal s ALA 65 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.00 2qal s ALA 65 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.95 2qal s ALA 65 CO 0.00 -1.37 0.00 2.41 0.00 0.00 0.00 175.76 176.80 2qal n THR 66 N -3.23 0.00 0.00 0.00 -1.04 -1.05 -4.53 114.28 104.44 2qal n THR 66 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 2qal n THR 66 Cb 0.54 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.05 2qal n THR 66 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qal n ILE 67 N 0.00 0.00 -2.77 12.58 0.13 -1.26 -4.25 119.36 123.79 2qal n ILE 67 Ca 0.00 0.00 -0.36 0.00 -1.10 0.00 0.00 62.75 61.29 2qal n ILE 67 Cb 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 39.64 38.74 2qal n ILE 67 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 2qal s SER 68 N 0.00 7.24 0.35 9.51 1.04 -0.26 -4.84 113.70 126.74 2qal s SER 68 Ca 0.00 1.82 0.17 0.00 0.48 0.00 0.00 55.95 58.42 2qal s SER 68 Cb 0.00 -2.57 1.18 0.00 0.10 0.00 0.00 66.02 64.73 2qal s SER 68 CO 0.00 -0.14 1.63 0.44 0.98 0.00 0.00 173.24 176.15 2qal h ASP 69 N 2.92 0.44 0.20 7.02 3.32 -1.99 0.68 116.42 129.00 2qal h ASP 69 Ca -0.47 0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 2qal h ASP 69 Cb 1.19 0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.93 2qal h ASP 69 CO 0.64 -0.25 -0.10 -0.09 -1.72 0.00 0.00 179.24 177.72 2qal h ARG 70 N 0.20 -0.26 -0.83 3.56 9.65 -1.97 -2.94 114.38 121.80 2qal h ARG 70 Ca 0.78 0.02 0.19 0.00 -1.10 0.00 0.00 59.98 59.86 2qal h ARG 70 Cb 1.89 0.06 -0.12 0.00 -1.39 0.00 0.00 29.97 30.41 2qal h ARG 70 CO -0.67 -0.17 0.32 -0.24 2.80 0.00 0.00 179.97 182.01 2qal h VAL 71 N -0.43 0.51 -0.85 0.20 3.04 -1.77 0.22 116.25 117.16 2qal h VAL 71 Ca -0.03 -0.13 0.13 0.00 -1.01 0.00 0.00 66.70 65.67 2qal h VAL 71 Cb 0.20 0.11 -0.09 0.00 -2.01 0.00 0.00 31.29 29.50 2qal h VAL 71 CO 0.04 0.07 0.46 0.00 -1.01 0.00 0.00 177.57 177.13 2qal h ALA 72 N 1.66 1.26 -0.43 3.17 0.00 -0.97 -0.25 119.26 123.71 2qal h ALA 72 Ca 0.50 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.48 2qal h ALA 72 Cb 0.89 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2qal h ALA 72 CO -0.51 -0.03 0.28 0.00 0.00 0.00 0.00 179.25 178.99 2qal h ALA 73 N 1.53 0.54 -0.23 0.00 0.00 -0.39 -2.88 119.26 117.83 2qal h ALA 73 Ca 0.45 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.39 2qal h ALA 73 Cb 0.57 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 2qal h ALA 73 CO -0.33 -0.02 -0.27 -0.07 0.00 0.00 0.00 179.25 178.56 2qal h LEU 74 N 0.56 -0.85 -1.35 0.00 3.38 -0.63 0.34 115.31 116.76 2qal h LEU 74 Ca 0.16 0.15 0.33 0.00 0.09 0.00 0.00 57.88 58.60 2qal h LEU 74 Cb -0.05 0.39 -0.11 0.00 0.09 0.00 0.00 40.66 40.98 2qal h LEU 74 CO -0.04 -0.30 0.72 0.40 0.09 0.00 0.00 178.44 179.31 2qal h ILE 75 N -0.28 0.37 0.09 1.22 2.04 -1.21 -0.92 117.51 118.82 2qal h ILE 75 Ca 0.13 -0.10 -0.34 0.00 1.00 0.00 0.00 64.86 65.55 2qal h ILE 75 Cb 0.49 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 2qal h ILE 75 CO -0.39 0.05 -1.91 0.29 0.00 0.00 0.00 178.15 176.19 2qal n LYS 76 N -4.69 0.72 0.23 2.37 4.76 -0.42 -3.91 118.16 117.23 2qal n LYS 76 Ca 0.30 0.27 0.18 0.00 -2.87 0.00 0.00 58.31 56.19 2qal n LYS 76 Cb 1.07 -1.73 0.85 0.00 -1.84 0.00 0.00 35.03 33.38 2qal n LYS 76 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2qal h GLU 77 N 0.05 0.00 -5.26 1.97 5.08 0.96 -3.37 114.58 114.00 2qal h GLU 77 Ca -0.38 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.36 2qal h GLU 77 Cb 2.03 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 31.12 2qal h GLU 77 CO 0.09 0.00 -0.56 0.54 -1.00 0.00 0.00 179.01 178.08 2qal s VAL 78 N -4.45 4.85 -0.82 3.13 0.11 -0.78 -4.98 120.40 117.46 2qal s VAL 78 Ca -0.04 -0.01 -0.22 0.00 -2.93 0.00 0.00 61.98 58.78 2qal s VAL 78 Cb 0.13 -3.19 -0.19 0.00 -1.53 0.00 0.00 36.38 31.60 2qal s VAL 78 CO 0.47 0.45 2.37 0.59 -3.33 0.00 0.00 175.10 175.65 2qal n ASN 79 N 3.60 0.83 0.22 3.54 3.02 -1.26 -4.68 115.26 120.53 2qal n ASN 79 Ca -0.16 -0.91 0.10 0.00 -0.03 0.00 0.00 54.58 53.58 2qal n ASN 79 Cb 0.52 -1.26 0.44 0.00 -0.61 0.00 0.00 39.78 38.87 2qal n ASN 79 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2qal h LYS 80 N 13.28 0.00 -0.34 3.52 3.64 -1.82 -2.98 116.57 131.88 2qal h LYS 80 Ca -0.03 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.44 2qal h LYS 80 Cb 1.11 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 2qal h LYS 80 CO 1.24 0.21 0.24 0.00 -2.27 0.00 0.00 179.45 178.87 2qal h ALA 81 N 1.79 2.26 0.00 5.00 0.00 -1.93 -3.52 119.26 122.86 2qal h ALA 81 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qal h ALA 81 Cb 0.77 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2qal h ALA 81 CO 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 179.25 178.92