#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dnt n SER 2 N 0.00 0.00 -3.63 1.61 3.41 -1.26 -5.18 113.62 108.58 2dnt n SER 2 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.57 2dnt n SER 2 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 2dnt n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dnt s SER 3 N 0.00 -0.11 0.00 4.04 0.15 -1.26 -5.15 113.70 111.37 2dnt s SER 3 Ca 0.00 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.75 2dnt s SER 3 Cb 0.00 0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 2dnt s SER 3 CO 0.00 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.94 2dnt n GLY 4 N 0.49 1.70 3.61 9.45 0.00 -1.26 -5.20 105.19 113.99 2dnt n GLY 4 Ca -0.02 0.18 0.01 0.00 0.00 0.00 0.00 46.02 46.19 2dnt n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dnt s SER 5 N 0.00 -0.06 0.00 1.61 1.04 -1.26 -5.19 113.70 109.84 2dnt s SER 5 Ca 0.00 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.34 2dnt s SER 5 Cb 0.00 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.25 2dnt s SER 5 CO 0.00 -0.24 0.00 -0.24 0.98 0.00 0.00 173.24 173.74 2dnt n SER 6 N -0.41 0.00 -2.78 7.02 2.88 -1.26 -5.13 113.62 113.94 2dnt n SER 6 Ca -0.07 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.47 2dnt n SER 6 Cb 0.62 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.09 2dnt n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dnt s GLY 7 N 0.00 -1.62 0.26 0.46 0.00 -1.26 -5.17 107.32 99.99 2dnt s GLY 7 Ca 0.00 0.79 0.08 0.00 0.00 0.00 0.00 44.72 45.59 2dnt s GLY 7 CO 0.00 4.18 -0.10 1.06 0.00 0.00 0.00 173.10 178.25 2dnt s MET 8 N 1.54 1.51 1.21 2.90 1.00 -1.26 -5.14 119.30 121.05 2dnt s MET 8 Ca 0.19 -1.73 -0.17 0.00 0.00 0.00 0.00 55.69 53.98 2dnt s MET 8 Cb 0.05 -1.23 0.29 0.00 0.00 0.00 0.00 34.83 33.94 2dnt s MET 8 CO -0.12 0.11 1.04 0.00 0.00 0.00 0.00 175.02 176.05 2dnt s ALA 9 N -2.94 0.01 -0.29 3.03 0.00 -1.26 -5.07 121.76 115.25 2dnt s ALA 9 Ca 0.28 -0.59 -0.18 0.00 0.00 0.00 0.00 51.96 51.46 2dnt s ALA 9 Cb 0.02 -3.04 0.15 0.00 0.00 0.00 0.00 23.12 20.25 2dnt s ALA 9 CO 0.11 -3.78 1.06 0.45 0.00 0.00 0.00 175.76 173.60 2dnt s SER 10 N -3.25 -0.40 -0.20 0.00 0.15 -1.26 -5.05 113.70 103.70 2dnt s SER 10 Ca 0.69 0.67 0.15 0.00 0.70 0.00 0.00 55.95 58.16 2dnt s SER 10 Cb -0.17 1.03 0.45 0.00 -1.71 0.00 0.00 66.02 65.62 2dnt s SER 10 CO 0.59 -0.11 1.18 -0.62 1.20 0.00 0.00 173.24 175.49 2dnt n GLU 11 N 3.16 1.86 -1.17 5.44 4.71 -1.26 -5.08 120.64 128.30 2dnt n GLU 11 Ca -0.17 -3.32 -0.29 0.00 -0.01 0.00 0.00 57.16 53.38 2dnt n GLU 11 Cb 0.57 -1.47 0.18 0.00 -1.01 0.00 0.00 31.44 29.71 2dnt n GLU 11 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 2dnt s GLU 12 N -2.77 0.40 0.03 3.49 2.02 -1.26 -4.97 118.70 115.64 2dnt s GLU 12 Ca 0.39 0.50 -0.25 0.00 0.02 0.00 0.00 54.97 55.64 2dnt s GLU 12 Cb 0.38 -1.73 -0.18 0.00 0.10 0.00 0.00 34.13 32.70 2dnt s GLU 12 CO -0.05 -2.75 1.47 1.37 0.02 0.00 0.00 175.26 175.32 2dnt h LEU 13 N -1.91 -0.08 0.00 1.80 -0.00 -1.98 -3.47 115.31 109.67 2dnt h LEU 13 Ca -0.55 -0.22 0.00 0.00 -0.00 0.00 0.00 57.88 57.11 2dnt h LEU 13 Cb 1.33 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 42.01 2dnt h LEU 13 CO 0.58 0.18 0.00 -1.22 -0.00 0.00 0.00 178.44 177.97 2dnt n TYR 14 N -5.02 -0.20 -3.87 0.17 4.02 -1.26 -5.15 117.16 105.85 2dnt n TYR 14 Ca -0.08 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.45 2dnt n TYR 14 Cb 0.16 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.38 2dnt n TYR 14 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 2dnt s GLU 15 N -1.08 3.91 -0.08 -0.72 2.12 -1.26 -5.05 118.70 116.54 2dnt s GLU 15 Ca 0.00 -0.36 -0.30 0.00 0.36 0.00 0.00 54.97 54.67 2dnt s GLU 15 Cb 0.00 -3.32 -0.04 0.00 0.26 0.00 0.00 34.13 31.03 2dnt s GLU 15 CO 0.00 0.10 1.53 0.08 -0.54 0.00 0.00 175.26 176.43 2dnt s VAL 16 N 0.86 3.79 -0.11 3.70 1.01 -1.26 -4.80 120.40 123.58 2dnt s VAL 16 Ca 0.05 0.96 -0.25 0.00 0.00 0.00 0.00 61.98 62.74 2dnt s VAL 16 Cb -0.13 -3.62 -0.21 0.00 0.00 0.00 0.00 36.38 32.41 2dnt s VAL 16 CO 0.03 -0.08 0.75 -0.08 0.00 0.00 0.00 175.10 175.71 2dnt h GLU 17 N 9.09 -0.02 0.00 2.72 4.81 -1.95 -3.50 114.58 125.73 2dnt h GLU 17 Ca -0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2dnt h GLU 17 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2dnt h GLU 17 CO 0.96 0.75 0.00 2.89 -0.73 0.00 0.00 179.01 182.88 2dnt n ARG 18 N -4.69 0.00 -3.41 1.92 1.85 -1.26 -5.00 116.66 106.07 2dnt n ARG 18 Ca -0.08 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.39 2dnt n ARG 18 Cb 0.38 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.72 2dnt n ARG 18 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2dnt s ILE 19 N -2.00 5.21 -0.08 8.89 -1.09 -1.26 -2.79 121.20 128.08 2dnt s ILE 19 Ca 0.00 0.80 0.10 0.00 -2.23 0.00 0.00 60.65 59.32 2dnt s ILE 19 Cb 0.00 -3.74 -0.14 0.00 -1.58 0.00 0.00 42.46 37.00 2dnt s ILE 19 CO 0.00 0.38 0.24 1.33 -1.23 0.00 0.00 174.94 175.66 2dnt n VAL 20 N 3.41 0.00 -3.79 2.92 0.24 0.29 -4.95 118.33 116.45 2dnt n VAL 20 Ca -0.10 -0.23 -0.04 0.00 -2.04 0.00 0.00 64.34 61.94 2dnt n VAL 20 Cb 0.52 0.40 -0.01 0.00 -1.47 0.00 0.00 33.84 33.28 2dnt n VAL 20 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2dnt s ASP 21 N -2.91 -0.13 -0.28 -1.34 -1.08 -1.18 -4.96 116.67 104.78 2dnt s ASP 21 Ca -0.02 -0.51 -0.19 0.00 -0.52 0.00 0.00 52.55 51.30 2dnt s ASP 21 Cb 0.06 0.52 0.11 0.00 -1.46 0.00 0.00 42.92 42.16 2dnt s ASP 21 CO 0.40 -0.99 0.86 -0.75 0.52 0.00 0.00 175.17 175.21 2dnt s LYS 22 N -3.04 0.58 0.34 4.34 2.20 -1.26 0.19 119.74 123.09 2dnt s LYS 22 Ca 0.14 0.88 -0.10 0.00 -0.36 0.00 0.00 55.97 56.53 2dnt s LYS 22 Cb -0.02 0.18 0.02 0.00 -1.51 0.00 0.00 37.83 36.50 2dnt s LYS 22 CO 0.04 -0.10 0.61 1.03 -0.36 0.00 0.00 175.35 176.56 2dnt s ARG 23 N 1.07 1.97 0.01 4.03 1.81 0.29 -4.98 118.95 123.16 2dnt s ARG 23 Ca -0.06 -1.51 0.00 0.00 -1.72 0.00 0.00 55.73 52.44 2dnt s ARG 23 Cb -0.05 0.53 -0.04 0.00 -0.45 0.00 0.00 34.95 34.94 2dnt s ARG 23 CO -0.12 -0.87 0.07 0.21 -0.68 0.00 0.00 175.30 173.91 2dnt s LYS 24 N -2.98 3.01 0.74 3.54 2.20 -1.26 -0.04 119.74 124.95 2dnt s LYS 24 Ca 0.22 -0.53 -0.11 0.00 -0.36 0.00 0.00 55.97 55.20 2dnt s LYS 24 Cb -0.03 -2.82 0.04 0.00 -1.51 0.00 0.00 37.83 33.52 2dnt s LYS 24 CO 0.14 0.63 1.11 -0.80 -0.36 0.00 0.00 175.35 176.08 2dnt s ASN 25 N -1.81 5.05 0.48 1.43 0.01 0.53 -4.84 114.94 115.77 2dnt s ASN 25 Ca 0.23 0.92 0.16 0.00 -0.71 0.00 0.00 52.86 53.46 2dnt s ASN 25 Cb -0.12 -1.60 1.16 0.00 0.41 0.00 0.00 41.25 41.10 2dnt s ASN 25 CO 0.15 -1.56 2.05 0.07 -1.51 0.00 0.00 177.10 176.30 2dnt h LYS 26 N -0.77 0.20 0.00 -0.60 5.09 -2.00 0.55 116.57 119.04 2dnt h LYS 26 Ca -0.45 -0.01 -0.01 0.00 0.09 0.00 0.00 60.65 60.27 2dnt h LYS 26 Cb 1.29 -0.05 -0.00 0.00 0.10 0.00 0.00 32.23 33.57 2dnt h LYS 26 CO 0.64 0.13 -0.03 0.87 -2.09 0.00 0.00 179.45 178.98 2dnt h LYS 27 N 0.21 0.00 0.00 0.07 1.79 -2.05 -3.46 116.57 113.13 2dnt h LYS 27 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 2dnt h LYS 27 Cb 0.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 2dnt h LYS 27 CO -0.03 0.03 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 2dnt n GLY 28 N 0.66 1.30 3.81 3.86 0.00 0.19 -5.09 105.19 109.92 2dnt n GLY 28 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 2dnt n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dnt s LYS 29 N -0.13 4.09 -0.11 1.61 -0.14 -1.24 -4.68 119.74 119.13 2dnt s LYS 29 Ca 0.00 0.57 -0.27 0.00 -1.36 0.00 0.00 55.97 54.91 2dnt s LYS 29 Cb 0.00 -3.25 -0.02 0.00 -1.68 0.00 0.00 37.83 32.88 2dnt s LYS 29 CO 0.00 0.62 0.90 0.99 -0.76 0.00 0.00 175.35 177.10 2dnt s THR 30 N -0.93 4.87 -0.05 2.17 2.01 -1.26 0.20 115.64 122.64 2dnt s THR 30 Ca 0.26 1.82 0.02 0.00 0.31 0.00 0.00 61.69 64.11 2dnt s THR 30 Cb -0.18 -4.22 0.01 0.00 0.01 0.00 0.00 72.50 68.13 2dnt s THR 30 CO 0.16 0.07 -0.11 -1.61 -0.69 0.00 0.00 174.62 172.44 2dnt s GLU 31 N 1.73 1.47 -0.16 4.92 2.02 0.94 -2.18 118.70 127.45 2dnt s GLU 31 Ca 0.44 -0.37 -0.04 0.00 0.02 0.00 0.00 54.97 55.01 2dnt s GLU 31 Cb -0.18 -1.26 -0.03 0.00 0.10 0.00 0.00 34.13 32.76 2dnt s GLU 31 CO 0.18 0.05 -0.03 0.71 0.02 0.00 0.00 175.26 176.19 2dnt s TYR 32 N 0.55 3.04 -0.41 1.61 2.02 0.12 -0.54 117.35 123.73 2dnt s TYR 32 Ca -0.11 -0.31 -0.29 0.00 -0.37 0.00 0.00 57.07 55.99 2dnt s TYR 32 Cb -0.14 -1.99 0.01 0.00 -0.40 0.00 0.00 41.96 39.44 2dnt s TYR 32 CO 0.03 -0.06 1.48 -1.17 -1.57 0.00 0.00 175.55 174.25 2dnt s LEU 33 N 0.47 3.56 0.09 -1.29 2.96 0.50 -2.27 118.68 122.70 2dnt s LEU 33 Ca -0.03 0.87 0.09 0.00 -0.22 0.00 0.00 54.13 54.84 2dnt s LEU 33 Cb -0.14 -3.51 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 2dnt s LEU 33 CO 0.03 -1.50 -0.24 0.54 -1.32 0.00 0.00 176.35 173.86 2dnt s VAL 34 N 5.72 1.95 0.68 1.68 0.11 -1.00 0.10 120.40 129.64 2dnt s VAL 34 Ca 0.64 -1.50 -0.01 0.00 -2.93 0.00 0.00 61.98 58.18 2dnt s VAL 34 Cb -0.15 -1.72 0.10 0.00 -1.53 0.00 0.00 36.38 33.09 2dnt s VAL 34 CO 0.32 0.13 0.95 -0.13 -3.33 0.00 0.00 175.10 173.04 2dnt s ARG 35 N -1.66 1.91 0.18 1.54 1.81 -1.12 -2.96 118.95 118.65 2dnt s ARG 35 Ca 0.10 -0.93 -0.24 0.00 -1.72 0.00 0.00 55.73 52.95 2dnt s ARG 35 Cb -0.10 -2.34 0.06 0.00 -0.45 0.00 0.00 34.95 32.12 2dnt s ARG 35 CO 0.04 -1.28 0.76 -1.58 -0.68 0.00 0.00 175.30 172.56 2dnt s TRP 36 N -3.08 -0.30 0.44 -0.53 0.52 -1.26 -3.66 118.94 111.07 2dnt s TRP 36 Ca 0.64 -0.01 -0.23 0.00 0.02 0.00 0.00 56.10 56.52 2dnt s TRP 36 Cb -0.07 0.63 -0.08 0.00 -1.15 0.00 0.00 33.47 32.80 2dnt s TRP 36 CO 0.43 -0.94 1.10 -1.59 0.02 0.00 0.00 176.95 175.97 2dnt s LYS 37 N -3.62 3.92 0.00 4.98 -2.85 -1.26 -3.29 119.74 117.61 2dnt s LYS 37 Ca 0.08 1.61 0.00 0.00 -1.00 0.00 0.00 55.97 56.66 2dnt s LYS 37 Cb -0.03 -2.41 0.00 0.00 -2.06 0.00 0.00 37.83 33.33 2dnt s LYS 37 CO -0.02 -0.38 0.00 0.41 0.10 0.00 0.00 175.35 175.46 2dnt n GLY 38 N 0.31 1.94 3.67 0.59 0.00 -1.26 -4.96 105.19 105.49 2dnt n GLY 38 Ca 0.07 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 2dnt n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dnt s TYR 39 N -0.25 3.41 0.00 1.61 2.02 -1.21 -5.04 117.35 117.89 2dnt s TYR 39 Ca 0.00 1.40 0.00 0.00 -0.37 0.00 0.00 57.07 58.10 2dnt s TYR 39 Cb 0.00 -3.14 0.00 0.00 -0.40 0.00 0.00 41.96 38.42 2dnt s TYR 39 CO 0.00 -0.32 0.00 -0.25 -1.57 0.00 0.00 175.55 173.41 2dnt n ASP 40 N 5.56 0.00 0.10 2.29 8.00 -1.26 -4.53 116.55 126.71 2dnt n ASP 40 Ca 0.08 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.39 2dnt n ASP 40 Cb 0.48 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.46 2dnt n ASP 40 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2dnt h SER 41 N 0.00 0.70 -0.27 -2.24 0.02 -1.96 -3.10 113.55 106.70 2dnt h SER 41 Ca 0.00 -0.66 0.00 0.00 -0.84 0.00 0.00 61.79 60.29 2dnt h SER 41 Cb 0.00 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.32 2dnt h SER 41 CO 0.00 1.48 0.00 -0.62 -1.14 0.00 0.00 176.83 176.55 2dnt n GLU 42 N -3.71 1.68 -0.00 3.45 1.02 -1.26 -3.15 120.64 118.66 2dnt n GLU 42 Ca -0.11 -1.00 0.06 0.00 -0.02 0.00 0.00 57.16 56.10 2dnt n GLU 42 Cb 0.98 -1.24 -0.09 0.00 -0.02 0.00 0.00 31.44 31.06 2dnt n GLU 42 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2dnt n ASP 43 N 0.30 1.30 -4.39 1.62 9.92 -1.18 -5.02 116.55 119.11 2dnt n ASP 43 Ca 0.09 -0.38 -0.47 0.00 -0.53 0.00 0.00 54.79 53.50 2dnt n ASP 43 Cb 0.25 1.32 -0.03 0.00 -0.64 0.00 0.00 41.12 42.03 2dnt n ASP 43 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2dnt n ASP 44 N -1.65 -1.45 -4.75 -2.24 5.68 -1.19 -4.84 116.55 106.10 2dnt n ASP 44 Ca -0.00 1.09 -0.22 0.00 -0.50 0.00 0.00 54.79 55.15 2dnt n ASP 44 Cb 0.28 -0.94 -0.06 0.00 -1.14 0.00 0.00 41.12 39.26 2dnt n ASP 44 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2dnt s THR 45 N -1.09 3.76 -0.32 2.12 -4.23 -1.16 -4.98 115.64 109.74 2dnt s THR 45 Ca 0.63 -1.62 -0.08 0.00 -1.18 0.00 0.00 61.69 59.44 2dnt s THR 45 Cb -0.89 -3.12 0.01 0.00 1.34 0.00 0.00 72.50 69.84 2dnt s THR 45 CO 0.57 -0.31 0.13 0.26 -0.54 0.00 0.00 174.62 174.73 2dnt s TRP 46 N -2.27 3.18 -0.09 3.99 0.52 -1.26 -2.39 118.94 120.63 2dnt s TRP 46 Ca 0.34 -0.88 0.00 0.00 0.02 0.00 0.00 56.10 55.59 2dnt s TRP 46 Cb -0.06 -2.32 -0.03 0.00 -1.15 0.00 0.00 33.47 29.91 2dnt s TRP 46 CO 0.23 -0.56 -0.09 -1.21 0.02 0.00 0.00 176.95 175.34 2dnt s GLU 47 N 1.54 2.99 0.16 4.98 0.41 -0.96 -4.88 118.70 122.94 2dnt s GLU 47 Ca 0.03 -0.60 -0.30 0.00 -0.41 0.00 0.00 54.97 53.69 2dnt s GLU 47 Cb -0.18 -2.61 -0.07 0.00 -1.78 0.00 0.00 34.13 29.49 2dnt s GLU 47 CO 0.04 0.49 1.13 -1.25 -0.49 0.00 0.00 175.26 175.18 2dnt s PRO 48 N -0.36 4.55 0.49 0.39 0.04 -1.26 0.11 135.00 138.97 2dnt s PRO 48 Ca 0.05 1.75 0.43 0.00 0.04 0.00 0.00 61.00 63.26 2dnt s PRO 48 Cb -0.12 -3.28 1.57 0.00 0.04 0.00 0.00 34.50 32.71 2dnt s PRO 48 CO 0.02 0.00 1.47 -1.91 0.04 0.00 0.00 177.00 176.63 2dnt n GLU 49 N 2.61 -0.01 -0.04 4.56 2.13 -0.93 0.19 120.64 129.16 2dnt n GLU 49 Ca 0.04 1.07 -0.09 0.00 0.66 0.00 0.00 57.16 58.84 2dnt n GLU 49 Cb 0.46 -2.36 -0.03 0.00 0.27 0.00 0.00 31.44 29.78 2dnt n GLU 49 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 2dnt h GLN 50 N 0.00 0.05 0.00 5.31 4.15 -1.90 -0.93 115.11 121.79 2dnt h GLN 50 Ca 0.87 -0.00 -0.07 0.00 0.77 0.00 0.00 58.65 60.22 2dnt h GLN 50 Cb 3.32 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 30.99 2dnt h GLN 50 CO -0.14 0.03 -0.33 0.45 -1.93 0.00 0.00 178.83 176.92 2dnt h HIS 51 N 0.05 0.00 -0.60 3.99 3.86 0.17 -3.31 115.15 119.30 2dnt h HIS 51 Ca 0.09 0.00 -0.73 0.00 -1.16 0.00 0.00 60.37 58.57 2dnt h HIS 51 Cb 0.12 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.50 2dnt h HIS 51 CO -0.18 0.33 2.69 1.28 0.86 0.00 0.00 177.93 182.90 2dnt n LEU 52 N -3.59 6.89 -4.78 2.43 4.77 -0.35 -4.95 117.00 117.42 2dnt n LEU 52 Ca -0.01 -4.38 -0.39 0.00 -0.03 0.00 0.00 56.01 51.20 2dnt n LEU 52 Cb 0.45 -1.57 -0.06 0.00 -2.33 0.00 0.00 43.42 39.91 2dnt n LEU 52 CO 0.36 1.29 0.37 -0.69 -1.33 0.00 0.00 177.39 177.39 2dnt s VAL 53 N 1.86 4.64 -2.03 4.08 1.01 -1.25 -3.53 120.40 125.18 2dnt s VAL 53 Ca 0.45 1.44 0.00 0.00 0.00 0.00 0.00 61.98 63.87 2dnt s VAL 53 Cb 0.13 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.49 2dnt s VAL 53 CO -0.05 0.50 0.00 0.59 0.00 0.00 0.00 175.10 176.14 2dnt n ASN 54 N 1.99 -5.40 -0.41 3.32 3.02 -1.26 -4.79 115.26 111.73 2dnt n ASN 54 Ca -0.07 0.42 0.06 0.00 -0.03 0.00 0.00 54.58 54.96 2dnt n ASN 54 Cb 0.50 -4.60 0.14 0.00 -0.61 0.00 0.00 39.78 35.21 2dnt n ASN 54 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dnt h GLU 56 N 0.97 0.77 -0.44 0.00 3.07 -1.87 -2.74 114.58 114.34 2dnt h GLU 56 Ca 0.00 -0.05 0.04 0.00 -0.50 0.00 0.00 59.36 58.85 2dnt h GLU 56 Cb 0.94 -0.17 -0.06 0.00 -0.84 0.00 0.00 28.75 28.62 2dnt h GLU 56 CO 0.06 0.51 -0.29 1.49 -1.40 0.00 0.00 179.01 179.38 2dnt h GLU 57 N 0.79 -0.03 -0.05 2.33 4.57 -1.98 1.24 114.58 121.46 2dnt h GLU 57 Ca 0.40 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.60 2dnt h GLU 57 Cb 0.36 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.91 2dnt h GLU 57 CO -0.25 -0.02 -0.43 1.88 -1.18 0.00 0.00 179.01 179.01 2dnt h TYR 58 N -0.03 -1.28 -0.92 0.92 0.05 -1.86 0.37 116.97 114.20 2dnt h TYR 58 Ca 0.07 0.04 0.25 0.00 0.05 0.00 0.00 58.73 59.14 2dnt h TYR 58 Cb 0.22 0.57 -0.13 0.00 1.01 0.00 0.00 36.73 38.39 2dnt h TYR 58 CO -0.93 -0.45 0.41 0.82 -1.05 0.00 0.00 178.16 176.96 2dnt h ILE 59 N -0.51 0.41 0.97 -2.88 2.04 -1.15 0.68 117.51 117.07 2dnt h ILE 59 Ca 0.02 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.71 2dnt h ILE 59 Cb 0.56 0.02 0.01 0.00 -0.74 0.00 0.00 36.82 36.67 2dnt h ILE 59 CO -0.32 0.07 -0.46 0.45 0.00 0.00 0.00 178.15 177.88 2dnt h HIS 60 N 0.36 -1.21 -0.94 1.37 3.86 0.34 0.21 115.15 119.15 2dnt h HIS 60 Ca 0.60 -0.03 0.18 0.00 -1.16 0.00 0.00 60.37 59.97 2dnt h HIS 60 Cb 1.21 0.40 -0.08 0.00 1.06 0.00 0.00 27.41 30.00 2dnt h HIS 60 CO -0.13 -0.75 0.60 0.22 0.86 0.00 0.00 177.93 178.73 2dnt h ASP 61 N -1.32 0.60 0.51 2.45 1.82 0.16 1.46 116.42 122.10 2dnt h ASP 61 Ca -0.13 0.06 -0.08 0.00 -0.39 0.00 0.00 57.03 56.49 2dnt h ASP 61 Cb 1.00 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.94 2dnt h ASP 61 CO 0.22 0.25 -0.37 0.15 -1.61 0.00 0.00 179.24 177.88 2dnt h PHE 62 N 0.61 0.00 0.12 0.28 3.57 0.75 0.46 116.94 122.73 2dnt h PHE 62 Ca 0.50 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 61.71 2dnt h PHE 62 Cb 0.96 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.69 2dnt h PHE 62 CO -0.00 0.37 -1.50 -0.91 -2.23 0.00 0.00 178.31 174.04 2dnt h ASN 63 N 0.00 0.40 0.60 0.41 2.35 0.36 -3.34 115.58 116.37 2dnt h ASN 63 Ca -0.00 -0.86 -0.07 0.00 -0.55 0.00 0.00 56.30 54.81 2dnt h ASN 63 Cb 0.72 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 2dnt h ASN 63 CO 0.05 1.66 -0.33 0.08 -1.65 0.00 0.00 177.43 177.23 2dnt h ARG 64 N -0.24 0.00 -0.15 0.81 -0.00 0.17 -3.16 114.38 111.80 2dnt h ARG 64 Ca -0.32 0.00 0.05 0.00 -0.00 0.00 0.00 59.98 59.71 2dnt h ARG 64 Cb 1.81 0.00 -0.07 0.00 -0.00 0.00 0.00 29.97 31.72 2dnt h ARG 64 CO 0.07 0.33 -0.39 0.00 -0.00 0.00 0.00 179.97 179.98 2dnt h ARG 65 N 0.00 -0.43 -0.27 0.08 2.47 -0.19 -2.59 114.38 113.45 2dnt h ARG 65 Ca -0.00 0.03 0.03 0.00 -1.26 0.00 0.00 59.98 58.78 2dnt h ARG 65 Cb 0.72 0.10 -0.05 0.00 -1.65 0.00 0.00 29.97 29.10 2dnt h ARG 65 CO 0.04 -0.29 -0.30 1.25 0.56 0.00 0.00 179.97 181.23 2dnt h HIS 66 N -0.45 -0.92 -4.04 3.04 2.76 -1.70 -3.41 115.15 110.43 2dnt h HIS 66 Ca 0.09 0.05 -0.48 0.00 -2.20 0.00 0.00 60.37 57.83 2dnt h HIS 66 Cb 0.60 0.44 0.15 0.00 1.55 0.00 0.00 27.41 30.15 2dnt h HIS 66 CO -0.47 -0.25 0.24 0.99 -1.30 0.00 0.00 177.93 177.14 2dnt s THR 67 N -4.38 2.57 -0.30 6.26 2.01 -0.97 -5.02 115.64 115.80 2dnt s THR 67 Ca -0.07 0.19 -0.03 0.00 0.31 0.00 0.00 61.69 62.09 2dnt s THR 67 Cb 0.05 -2.65 0.04 0.00 0.01 0.00 0.00 72.50 69.95 2dnt s THR 67 CO 0.33 -0.24 0.01 -1.61 -0.69 0.00 0.00 174.62 172.41 2dnt s GLU 68 N -4.92 2.54 -0.25 4.92 2.02 -1.26 -4.88 118.70 116.88 2dnt s GLU 68 Ca 0.64 -1.19 0.01 0.00 0.02 0.00 0.00 54.97 54.44 2dnt s GLU 68 Cb -0.18 -3.20 0.07 0.00 0.10 0.00 0.00 34.13 30.92 2dnt s GLU 68 CO 0.57 -0.59 -0.03 0.21 0.02 0.00 0.00 175.26 175.44 2dnt s LYS 69 N 1.29 1.55 -0.90 1.61 2.36 -1.26 -5.05 119.74 119.35 2dnt s LYS 69 Ca -0.04 -1.08 -0.23 0.00 -2.55 0.00 0.00 55.97 52.07 2dnt s LYS 69 Cb -0.19 -2.60 -0.22 0.00 -1.05 0.00 0.00 37.83 33.76 2dnt s LYS 69 CO -0.01 -0.66 2.47 1.04 1.55 0.00 0.00 175.35 179.75 2dnt n GLN 70 N 4.64 0.22 -3.61 4.03 1.13 -1.26 -4.73 117.38 117.81 2dnt n GLN 70 Ca -0.10 -0.09 -0.02 0.00 -1.94 0.00 0.00 57.00 54.85 2dnt n GLN 70 Cb 0.44 -1.88 -0.02 0.00 0.11 0.00 0.00 30.24 28.89 2dnt n GLN 70 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2dnt s LYS 71 N 8.31 0.29 0.36 -1.09 2.36 -1.26 -5.15 119.74 123.56 2dnt s LYS 71 Ca 1.25 -0.12 0.00 0.00 -2.55 0.00 0.00 55.97 54.54 2dnt s LYS 71 Cb -0.86 0.12 0.00 0.00 -1.05 0.00 0.00 37.83 36.04 2dnt s LYS 71 CO 0.44 -0.13 0.00 -1.91 1.55 0.00 0.00 175.35 175.30 2dnt n GLU 72 N -0.20 -4.17 -4.65 4.03 4.07 -1.26 -4.99 120.64 113.48 2dnt n GLU 72 Ca -0.02 3.04 -0.33 0.00 -0.06 0.00 0.00 57.16 59.79 2dnt n GLU 72 Cb 0.59 -3.37 -0.11 0.00 -0.06 0.00 0.00 31.44 28.49 2dnt n GLU 72 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 2dnt s SER 73 N -2.28 4.49 0.00 4.31 0.01 -1.26 -5.03 113.70 113.94 2dnt s SER 73 Ca 0.00 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.17 2dnt s SER 73 Cb 0.00 -1.07 0.00 0.00 0.21 0.00 0.00 66.02 65.16 2dnt s SER 73 CO 0.00 0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.60 2dnt n GLY 74 N 2.09 0.24 3.60 3.44 0.00 -1.26 -5.06 105.19 108.24 2dnt n GLY 74 Ca -0.17 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 2dnt n GLY 74 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dnt s PRO 75 N -2.00 3.54 0.31 1.61 0.04 -1.26 -4.99 135.00 132.26 2dnt s PRO 75 Ca 0.00 0.90 0.07 0.00 0.04 0.00 0.00 61.00 62.01 2dnt s PRO 75 Cb 0.00 -4.04 -0.06 0.00 0.04 0.00 0.00 34.50 30.44 2dnt s PRO 75 CO 0.00 -1.61 -0.06 -1.12 0.04 0.00 0.00 177.00 174.26 2dnt s SER 76 N 4.02 3.14 0.48 6.66 0.01 -1.26 -5.15 113.70 121.59 2dnt s SER 76 Ca 0.61 -1.22 0.02 0.00 1.31 0.00 0.00 55.95 56.67 2dnt s SER 76 Cb -0.13 -0.24 0.01 0.00 0.21 0.00 0.00 66.02 65.87 2dnt s SER 76 CO 0.32 -0.32 0.69 -0.94 0.41 0.00 0.00 173.24 173.40 2dnt s SER 77 N -3.52 5.61 0.00 2.44 1.04 -1.26 -5.29 113.70 112.73 2dnt s SER 77 Ca 0.31 0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.82 2dnt s SER 77 Cb 0.04 -1.18 0.00 0.00 0.10 0.00 0.00 66.02 64.98 2dnt s SER 77 CO 0.14 -0.86 0.28 0.61 0.98 0.00 0.00 173.24 174.40