#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dnt s SER 2 N 0.00 3.98 -0.06 1.61 0.01 -1.26 -5.14 113.70 112.84 2dnt s SER 2 Ca 0.00 -0.58 -0.07 0.00 1.31 0.00 0.00 55.95 56.62 2dnt s SER 2 Cb 0.00 -0.59 0.02 0.00 0.21 0.00 0.00 66.02 65.66 2dnt s SER 2 CO 0.00 0.15 0.18 -0.94 0.41 0.00 0.00 173.24 173.05 2dnt s SER 3 N -2.37 -0.17 -0.58 2.44 1.04 -1.26 -4.70 113.70 108.10 2dnt s SER 3 Ca 0.20 0.31 0.06 0.00 0.48 0.00 0.00 55.95 57.01 2dnt s SER 3 Cb -0.10 0.36 0.24 0.00 0.10 0.00 0.00 66.02 66.62 2dnt s SER 3 CO 0.12 -0.10 0.65 0.61 0.98 0.00 0.00 173.24 175.50 2dnt n GLY 4 N 2.81 4.16 2.55 7.32 0.00 -1.26 -4.96 105.19 115.81 2dnt n GLY 4 Ca -0.14 -2.41 -0.27 0.00 0.00 0.00 0.00 46.02 43.20 2dnt n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dnt s SER 5 N -1.95 2.49 -0.18 1.61 0.15 -1.26 -5.09 113.70 109.47 2dnt s SER 5 Ca 0.37 -3.30 -0.06 0.00 0.70 0.00 0.00 55.95 53.66 2dnt s SER 5 Cb 0.13 -0.81 -0.04 0.00 -1.71 0.00 0.00 66.02 63.60 2dnt s SER 5 CO -0.06 -0.15 0.03 -0.94 1.20 0.00 0.00 173.24 173.32 2dnt s SER 6 N -0.39 5.30 0.10 5.45 1.04 -1.26 -5.08 113.70 118.86 2dnt s SER 6 Ca 0.30 -0.01 -0.01 0.00 0.48 0.00 0.00 55.95 56.70 2dnt s SER 6 Cb 0.01 -1.90 0.01 0.00 0.10 0.00 0.00 66.02 64.24 2dnt s SER 6 CO -0.19 0.16 0.15 0.61 0.98 0.00 0.00 173.24 174.96 2dnt n GLY 7 N 3.62 2.56 2.95 7.32 0.00 -1.26 -5.06 105.19 115.32 2dnt n GLY 7 Ca -0.17 -1.35 -0.00 0.00 0.00 0.00 0.00 46.02 44.50 2dnt n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dnt n MET 8 N -0.15 -1.98 -3.60 1.61 2.00 -1.26 -5.04 117.12 108.70 2dnt n MET 8 Ca -0.00 1.82 -0.06 0.00 0.00 0.00 0.00 57.70 59.46 2dnt n MET 8 Cb 0.16 -3.02 -0.04 0.00 0.00 0.00 0.00 33.22 30.32 2dnt n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2dnt s ALA 9 N -1.14 -2.02 0.21 3.04 0.00 -1.26 -5.05 121.76 115.54 2dnt s ALA 9 Ca -0.02 1.64 0.00 0.00 0.00 0.00 0.00 51.96 53.57 2dnt s ALA 9 Cb 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.45 2dnt s ALA 9 CO 0.37 -0.41 0.00 0.45 0.00 0.00 0.00 175.76 176.17 2dnt n SER 10 N 0.33 -1.33 -1.07 0.00 2.88 -1.26 -4.98 113.62 108.19 2dnt n SER 10 Ca -0.04 0.39 -0.02 0.00 -1.33 0.00 0.00 58.87 57.87 2dnt n SER 10 Cb 0.59 1.42 -0.03 0.00 -0.75 0.00 0.00 64.21 65.43 2dnt n SER 10 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2dnt n GLU 11 N -3.02 0.00 -2.03 -1.46 1.02 -1.26 -5.13 120.64 108.77 2dnt n GLU 11 Ca 0.00 -1.21 -0.29 0.00 -0.02 0.00 0.00 57.16 55.64 2dnt n GLU 11 Cb 0.00 0.21 0.16 0.00 -0.02 0.00 0.00 31.44 31.79 2dnt n GLU 11 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2dnt s GLU 12 N 0.00 1.06 0.00 3.49 2.02 -1.26 -5.06 118.70 118.95 2dnt s GLU 12 Ca 0.11 -0.42 0.00 0.00 0.02 0.00 0.00 54.97 54.68 2dnt s GLU 12 Cb 0.13 -1.94 0.00 0.00 0.10 0.00 0.00 34.13 32.41 2dnt s GLU 12 CO -0.05 -2.10 0.09 1.28 0.02 0.00 0.00 175.26 174.49 2dnt n LEU 13 N -3.53 2.12 0.00 1.80 4.32 -1.26 -5.05 117.00 115.40 2dnt n LEU 13 Ca 0.14 0.16 0.00 0.00 -0.02 0.00 0.00 56.01 56.29 2dnt n LEU 13 Cb 0.60 -0.08 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 2dnt n LEU 13 CO 0.47 -0.08 0.00 -1.22 -1.22 0.00 0.00 177.39 175.34 2dnt n TYR 14 N -0.75 0.00 -4.71 -1.77 4.02 -1.26 -5.16 117.16 107.53 2dnt n TYR 14 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.66 2dnt n TYR 14 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.17 2dnt n TYR 14 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 2dnt s GLU 15 N -0.73 1.27 -0.22 -0.72 1.03 -1.26 -5.09 118.70 112.98 2dnt s GLU 15 Ca 0.00 -0.60 -0.29 0.00 0.03 0.00 0.00 54.97 54.11 2dnt s GLU 15 Cb 0.00 -1.24 -0.03 0.00 -0.80 0.00 0.00 34.13 32.06 2dnt s GLU 15 CO 0.00 0.34 1.62 0.08 -1.33 0.00 0.00 175.26 175.96 2dnt s VAL 16 N -0.43 3.69 -0.01 1.83 1.01 -1.26 -4.86 120.40 120.37 2dnt s VAL 16 Ca 0.06 0.78 -0.24 0.00 0.00 0.00 0.00 61.98 62.58 2dnt s VAL 16 Cb -0.06 -3.70 -0.17 0.00 0.00 0.00 0.00 36.38 32.44 2dnt s VAL 16 CO -0.00 -0.29 1.19 -0.08 0.00 0.00 0.00 175.10 175.92 2dnt h GLU 17 N 10.71 -0.27 0.00 2.72 4.81 -1.95 -3.49 114.58 127.11 2dnt h GLU 17 Ca -0.34 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 2dnt h GLU 17 Cb 1.15 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.60 2dnt h GLU 17 CO 1.00 0.09 0.00 2.89 -0.73 0.00 0.00 179.01 182.26 2dnt n ARG 18 N -5.04 0.00 -3.56 1.92 1.85 -1.26 -5.01 116.66 105.56 2dnt n ARG 18 Ca -0.09 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.39 2dnt n ARG 18 Cb 0.25 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.59 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 5.28 -0.10 8.89 -1.09 -1.26 -2.96 121.20 127.96 2dnt s ILE 19 Ca 0.00 0.56 0.08 0.00 -2.23 0.00 0.00 60.65 59.07 2dnt s ILE 19 Cb 0.00 -3.62 -0.12 0.00 -1.58 0.00 0.00 42.46 37.14 2dnt s ILE 19 CO 0.00 0.44 0.22 1.33 -1.23 0.00 0.00 174.94 175.70 2dnt n VAL 20 N 3.18 0.00 -3.76 2.92 0.24 0.26 -4.95 118.33 116.21 2dnt n VAL 20 Ca -0.13 -0.22 -0.04 0.00 -2.04 0.00 0.00 64.34 61.91 2dnt n VAL 20 Cb 0.52 0.48 -0.02 0.00 -1.47 0.00 0.00 33.84 33.36 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 -2.67 -0.21 -0.28 -1.34 -1.08 -1.19 -4.96 116.67 104.94 2dnt s ASP 21 Ca -0.02 -0.43 -0.20 0.00 -0.52 0.00 0.00 52.55 51.39 2dnt s ASP 21 Cb 0.06 0.54 0.12 0.00 -1.46 0.00 0.00 42.92 42.17 2dnt s ASP 21 CO 0.35 -0.99 0.94 -0.75 0.52 0.00 0.00 175.17 175.24 2dnt s LYS 22 N -3.42 0.50 0.32 4.34 2.20 -1.26 0.19 119.74 122.61 2dnt s LYS 22 Ca 0.12 0.73 -0.15 0.00 -0.36 0.00 0.00 55.97 56.30 2dnt s LYS 22 Cb -0.02 0.17 0.03 0.00 -1.51 0.00 0.00 37.83 36.50 2dnt s LYS 22 CO 0.03 -0.08 0.67 1.03 -0.36 0.00 0.00 175.35 176.63 2dnt s ARG 23 N 0.87 1.92 0.09 4.03 1.81 0.52 -4.99 118.95 123.20 2dnt s ARG 23 Ca -0.04 -1.29 0.01 0.00 -1.72 0.00 0.00 55.73 52.70 2dnt s ARG 23 Cb -0.04 0.57 -0.04 0.00 -0.45 0.00 0.00 34.95 34.99 2dnt s ARG 23 CO -0.11 -0.86 0.20 0.21 -0.68 0.00 0.00 175.30 174.06 2dnt s LYS 24 N -3.27 3.32 0.60 3.54 2.20 -1.26 0.67 119.74 125.54 2dnt s LYS 24 Ca 0.17 -0.54 -0.00 0.00 -0.36 0.00 0.00 55.97 55.24 2dnt s LYS 24 Cb -0.04 -2.95 0.05 0.00 -1.51 0.00 0.00 37.83 33.38 2dnt s LYS 24 CO 0.10 0.58 0.84 -0.80 -0.36 0.00 0.00 175.35 175.71 2dnt s ASN 25 N -2.69 5.05 0.45 1.43 0.01 0.50 -4.88 114.94 114.81 2dnt s ASN 25 Ca 0.34 -0.02 0.12 0.00 -0.71 0.00 0.00 52.86 52.58 2dnt s ASN 25 Cb -0.12 -0.74 1.03 0.00 0.41 0.00 0.00 41.25 41.83 2dnt s ASN 25 CO 0.27 -1.33 2.07 0.07 -1.51 0.00 0.00 177.10 176.67 2dnt h LYS 26 N -0.12 0.33 0.00 -0.60 5.09 -2.00 0.46 116.57 119.74 2dnt h LYS 26 Ca -0.41 -0.02 0.00 0.00 0.09 0.00 0.00 60.65 60.31 2dnt h LYS 26 Cb 1.29 -0.08 0.00 0.00 0.10 0.00 0.00 32.23 33.55 2dnt h LYS 26 CO 0.51 0.22 0.00 0.87 -2.09 0.00 0.00 179.45 178.96 2dnt h LYS 27 N 0.34 0.00 0.00 0.07 1.57 -2.05 -3.46 116.57 113.05 2dnt h LYS 27 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2dnt h LYS 27 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2dnt h LYS 27 CO -0.03 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.26 2dnt n GLY 28 N 0.65 0.98 3.77 3.86 0.00 0.16 -5.07 105.19 109.53 2dnt n GLY 28 Ca 0.03 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.72 4.67 -0.21 1.61 -0.14 -1.25 -4.63 119.74 119.08 2dnt s LYS 29 Ca 0.00 1.28 -0.21 0.00 -1.36 0.00 0.00 55.97 55.67 2dnt s LYS 29 Cb 0.00 -3.27 -0.02 0.00 -1.68 0.00 0.00 37.83 32.86 2dnt s LYS 29 CO 0.00 0.55 0.66 0.99 -0.76 0.00 0.00 175.35 176.79 2dnt s THR 30 N -1.13 4.99 -0.05 2.17 2.01 -1.26 0.19 115.64 122.55 2dnt s THR 30 Ca 0.38 1.23 0.05 0.00 0.31 0.00 0.00 61.69 63.67 2dnt s THR 30 Cb -0.24 -3.97 -0.02 0.00 0.01 0.00 0.00 72.50 68.28 2dnt s THR 30 CO 0.28 0.08 -0.21 -1.83 -0.69 0.00 0.00 174.62 172.25 2dnt s GLU 31 N 2.11 2.45 -0.15 4.92 -1.05 0.21 -2.03 118.70 125.17 2dnt s GLU 31 Ca 0.29 -0.83 0.01 0.00 -0.15 0.00 0.00 54.97 54.29 2dnt s GLU 31 Cb -0.16 -2.22 -0.00 0.00 -0.44 0.00 0.00 34.13 31.31 2dnt s GLU 31 CO 0.10 0.50 -0.17 0.71 0.95 0.00 0.00 175.26 177.36 2dnt s TYR 32 N -0.45 2.75 -0.43 4.83 2.02 0.32 -0.35 117.35 126.04 2dnt s TYR 32 Ca 0.05 -1.04 -0.29 0.00 -0.37 0.00 0.00 57.07 55.43 2dnt s TYR 32 Cb -0.12 -1.86 0.01 0.00 -0.40 0.00 0.00 41.96 39.59 2dnt s TYR 32 CO 0.01 -0.46 1.45 -1.17 -1.57 0.00 0.00 175.55 173.81 2dnt s LEU 33 N 0.73 3.55 0.02 -1.29 2.96 0.49 -1.10 118.68 124.05 2dnt s LEU 33 Ca -0.07 0.80 0.07 0.00 -0.22 0.00 0.00 54.13 54.71 2dnt s LEU 33 Cb -0.16 -3.47 -0.02 0.00 0.50 0.00 0.00 46.19 43.04 2dnt s LEU 33 CO 0.01 -1.50 -0.21 0.54 -1.32 0.00 0.00 176.35 173.87 2dnt s VAL 34 N 5.68 1.70 0.78 1.68 0.11 -0.84 0.93 120.40 130.45 2dnt s VAL 34 Ca 0.62 -1.11 -0.07 0.00 -2.93 0.00 0.00 61.98 58.49 2dnt s VAL 34 Cb -0.14 -1.45 0.13 0.00 -1.53 0.00 0.00 36.38 33.39 2dnt s VAL 34 CO 0.32 0.31 1.09 -0.13 -3.33 0.00 0.00 175.10 173.35 2dnt s ARG 35 N -0.95 1.53 0.02 1.54 1.81 -1.16 -2.94 118.95 118.80 2dnt s ARG 35 Ca 0.08 -0.69 -0.28 0.00 -1.72 0.00 0.00 55.73 53.12 2dnt s ARG 35 Cb -0.09 -2.16 0.08 0.00 -0.45 0.00 0.00 34.95 32.34 2dnt s ARG 35 CO 0.01 -1.66 0.73 -1.58 -0.68 0.00 0.00 175.30 172.12 2dnt s TRP 36 N -3.37 -0.52 0.39 -0.53 0.52 -1.26 -3.86 118.94 110.30 2dnt s TRP 36 Ca 0.67 0.62 -0.27 0.00 0.02 0.00 0.00 56.10 57.14 2dnt s TRP 36 Cb -0.06 0.49 -0.09 0.00 -1.15 0.00 0.00 33.47 32.66 2dnt s TRP 36 CO 0.47 -0.65 1.32 0.15 0.02 0.00 0.00 176.95 178.25 2dnt s LYS 37 N -2.44 4.05 0.00 4.98 1.02 -1.26 -2.26 119.74 123.83 2dnt s LYS 37 Ca -0.03 2.20 0.00 0.00 0.02 0.00 0.00 55.97 58.16 2dnt s LYS 37 Cb -0.01 -2.83 0.00 0.00 -0.52 0.00 0.00 37.83 34.47 2dnt s LYS 37 CO -0.03 -0.44 0.00 0.41 -0.92 0.00 0.00 175.35 174.37 2dnt n GLY 38 N 0.68 2.87 3.74 -3.33 0.00 -1.26 -5.00 105.19 102.89 2dnt n GLY 38 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.77 3.57 0.00 1.61 1.51 -0.96 -5.07 117.35 116.23 2dnt s TYR 39 Ca 0.00 0.97 0.00 0.00 -1.01 0.00 0.00 57.07 57.03 2dnt s TYR 39 Cb 0.00 -2.55 0.00 0.00 -0.11 0.00 0.00 41.96 39.30 2dnt s TYR 39 CO 0.00 0.24 0.00 -0.25 -1.11 0.00 0.00 175.55 174.43 2dnt n ASP 40 N 3.33 -0.68 0.02 2.29 8.00 -1.26 -4.65 116.55 123.59 2dnt n ASP 40 Ca -0.07 -0.34 -0.18 0.00 0.71 0.00 0.00 54.79 54.90 2dnt n ASP 40 Cb 0.52 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.50 2dnt n ASP 40 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 2dnt h SER 41 N -0.68 0.62 -0.28 -2.24 0.87 -1.97 -3.10 113.55 106.76 2dnt h SER 41 Ca 0.00 -0.77 0.00 0.00 -1.23 0.00 0.00 61.79 59.79 2dnt h SER 41 Cb 0.00 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.77 2dnt h SER 41 CO 0.00 1.31 0.00 -0.62 -0.53 0.00 0.00 176.83 176.99 2dnt n GLU 42 N -4.13 2.15 -0.00 2.24 1.02 -1.26 -3.20 120.64 117.46 2dnt n GLU 42 Ca -0.11 -1.21 0.05 0.00 -0.02 0.00 0.00 57.16 55.87 2dnt n GLU 42 Cb 0.73 -1.51 -0.06 0.00 -0.02 0.00 0.00 31.44 30.58 2dnt n GLU 42 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2dnt n ASP 43 N 0.34 1.18 -4.21 1.62 2.03 -1.18 -5.03 116.55 111.30 2dnt n ASP 43 Ca 0.11 -0.49 -0.38 0.00 0.52 0.00 0.00 54.79 54.54 2dnt n ASP 43 Cb 0.44 1.16 0.02 0.00 -0.72 0.00 0.00 41.12 42.02 2dnt n ASP 43 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2dnt n ASP 44 N -1.44 -3.98 -4.71 1.67 5.68 -1.18 -4.81 116.55 107.78 2dnt n ASP 44 Ca 0.01 0.56 -0.25 0.00 -0.50 0.00 0.00 54.79 54.60 2dnt n ASP 44 Cb 0.19 -0.85 -0.08 0.00 -1.14 0.00 0.00 41.12 39.24 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 -1.99 2.24 -0.20 2.12 -4.23 -1.15 -5.00 115.64 107.43 2dnt s THR 45 Ca 0.54 -1.78 -0.03 0.00 -1.18 0.00 0.00 61.69 59.25 2dnt s THR 45 Cb -0.43 -2.99 -0.01 0.00 1.34 0.00 0.00 72.50 70.41 2dnt s THR 45 CO 0.69 -0.01 -0.08 0.26 -0.54 0.00 0.00 174.62 174.94 2dnt s TRP 46 N -2.62 2.91 -0.07 3.99 0.52 -1.26 -1.98 118.94 120.43 2dnt s TRP 46 Ca 0.39 -0.97 0.05 0.00 0.02 0.00 0.00 56.10 55.60 2dnt s TRP 46 Cb 0.05 -2.03 -0.01 0.00 -1.15 0.00 0.00 33.47 30.33 2dnt s TRP 46 CO 0.21 -0.51 -0.22 -1.21 0.02 0.00 0.00 176.95 175.24 2dnt s GLU 47 N 1.23 2.69 0.19 4.98 0.41 -0.26 -4.85 118.70 123.10 2dnt s GLU 47 Ca 0.03 -0.84 -0.30 0.00 -0.41 0.00 0.00 54.97 53.44 2dnt s GLU 47 Cb -0.14 -2.27 -0.08 0.00 -1.78 0.00 0.00 34.13 29.86 2dnt s GLU 47 CO -0.03 0.38 1.11 -1.25 -0.49 0.00 0.00 175.26 174.98 2dnt s PRO 48 N -0.14 4.59 0.43 0.39 0.04 -1.26 0.12 135.00 139.16 2dnt s PRO 48 Ca -0.03 1.74 0.29 0.00 0.04 0.00 0.00 61.00 63.04 2dnt s PRO 48 Cb -0.14 -3.26 1.42 0.00 0.04 0.00 0.00 34.50 32.56 2dnt s PRO 48 CO 0.04 0.08 1.61 1.49 0.04 0.00 0.00 177.00 180.26 2dnt h GLU 49 N 4.96 0.07 -0.59 4.56 4.22 -1.75 1.51 114.58 127.56 2dnt h GLU 49 Ca -0.45 -0.00 0.04 0.00 0.08 0.00 0.00 59.36 59.03 2dnt h GLU 49 Cb 1.21 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 2dnt h GLU 49 CO 0.72 0.05 0.34 0.37 -2.18 0.00 0.00 179.01 178.30 2dnt h GLN 50 N 0.07 0.63 -0.01 1.92 4.15 -1.90 -1.25 115.11 118.73 2dnt h GLN 50 Ca 0.83 -0.04 -0.14 0.00 0.77 0.00 0.00 58.65 60.07 2dnt h GLN 50 Cb 2.56 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 30.09 2dnt h GLN 50 CO -0.47 0.42 -0.65 0.45 -1.93 0.00 0.00 178.83 176.65 2dnt h HIS 51 N 0.65 0.06 -0.16 3.99 3.86 0.17 -3.34 115.15 120.39 2dnt h HIS 51 Ca 0.25 -0.03 -0.70 0.00 -1.16 0.00 0.00 60.37 58.74 2dnt h HIS 51 Cb 0.10 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.51 2dnt h HIS 51 CO -0.07 0.68 2.92 1.28 0.86 0.00 0.00 177.93 183.60 2dnt n LEU 52 N -3.78 6.37 -4.85 2.43 4.77 -0.09 -4.93 117.00 116.92 2dnt n LEU 52 Ca -0.01 -4.04 -0.37 0.00 -0.03 0.00 0.00 56.01 51.56 2dnt n LEU 52 Cb 0.64 -1.65 -0.06 0.00 -2.33 0.00 0.00 43.42 40.02 2dnt n LEU 52 CO 0.43 0.85 0.06 -0.69 -1.33 0.00 0.00 177.39 176.71 2dnt s VAL 53 N 3.53 5.11 -0.14 4.08 1.01 -1.26 -3.85 120.40 128.89 2dnt s VAL 53 Ca 0.49 0.64 0.00 0.00 0.00 0.00 0.00 61.98 63.11 2dnt s VAL 53 Cb 0.12 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.85 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 1.57 -4.96 -0.09 3.32 3.02 -1.26 -4.76 115.26 112.10 2dnt n ASN 54 Ca -0.13 0.03 0.10 0.00 -0.03 0.00 0.00 54.58 54.55 2dnt n ASN 54 Cb 0.53 -2.58 0.13 0.00 -0.61 0.00 0.00 39.78 37.25 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 0.00 0.19 -0.04 0.00 5.08 -1.86 -2.93 114.58 115.03 2dnt h GLU 56 Ca 0.00 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2dnt h GLU 56 Cb 1.01 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 2dnt h GLU 56 CO 0.00 0.13 -0.25 1.49 -1.00 0.00 0.00 179.01 179.38 2dnt h GLU 57 N 0.20 -0.27 -0.30 2.33 4.81 -1.96 1.12 114.58 120.51 2dnt h GLU 57 Ca 0.07 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.38 2dnt h GLU 57 Cb 0.06 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.42 2dnt h GLU 57 CO -0.01 -0.18 -0.40 1.88 -0.73 0.00 0.00 179.01 179.56 2dnt h TYR 58 N -0.28 -1.15 -0.33 0.92 0.05 -1.90 0.26 116.97 114.53 2dnt h TYR 58 Ca 0.01 0.06 0.07 0.00 0.05 0.00 0.00 58.73 58.92 2dnt h TYR 58 Cb 0.32 0.55 -0.08 0.00 1.01 0.00 0.00 36.73 38.53 2dnt h TYR 58 CO -0.48 -0.44 -0.18 0.82 -1.05 0.00 0.00 178.16 176.83 2dnt h ILE 59 N -0.37 0.47 -0.24 -2.88 2.04 -1.38 0.59 117.51 115.74 2dnt h ILE 59 Ca 0.12 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.04 2dnt h ILE 59 Cb 0.59 0.47 -0.07 0.00 -0.74 0.00 0.00 36.82 37.07 2dnt h ILE 59 CO -0.50 0.00 -0.27 0.45 0.00 0.00 0.00 178.15 177.83 2dnt h HIS 60 N -0.13 -0.74 0.20 1.37 3.86 0.26 1.16 115.15 121.13 2dnt h HIS 60 Ca 0.17 0.04 0.01 0.00 -1.16 0.00 0.00 60.37 59.43 2dnt h HIS 60 Cb 0.39 0.36 -0.03 0.00 1.06 0.00 0.00 27.41 29.20 2dnt h HIS 60 CO -0.39 -0.35 -0.27 0.22 0.86 0.00 0.00 177.93 178.00 2dnt h ASP 61 N -0.29 -0.76 -0.63 2.45 3.58 0.62 0.11 116.42 121.51 2dnt h ASP 61 Ca 0.13 0.08 0.10 0.00 0.42 0.00 0.00 57.03 57.76 2dnt h ASP 61 Cb 0.49 0.27 -0.08 0.00 1.72 0.00 0.00 39.33 41.74 2dnt h ASP 61 CO -0.40 -0.38 0.24 0.15 -2.88 0.00 0.00 179.24 175.97 2dnt h PHE 62 N -0.54 0.42 -0.15 0.28 3.57 0.96 0.10 116.94 121.58 2dnt h PHE 62 Ca 0.01 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.57 2dnt h PHE 62 Cb 0.52 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 2dnt h PHE 62 CO -0.21 0.10 -0.02 -0.91 -2.23 0.00 0.00 178.31 175.04 2dnt h ASN 63 N 0.42 -0.10 0.19 0.41 2.35 0.20 0.31 115.58 119.34 2dnt h ASN 63 Ca 0.32 0.04 0.01 0.00 -0.55 0.00 0.00 56.30 56.12 2dnt h ASN 63 Cb 0.41 0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.83 2dnt h ASN 63 CO -0.32 -0.03 -0.28 0.03 -1.65 0.00 0.00 177.43 175.18 2dnt h ARG 64 N 0.02 -0.51 -0.03 0.81 2.47 0.32 0.57 114.38 118.03 2dnt h ARG 64 Ca 0.07 0.03 0.03 0.00 -1.26 0.00 0.00 59.98 58.86 2dnt h ARG 64 Cb 0.10 0.12 -0.05 0.00 -1.65 0.00 0.00 29.97 28.49 2dnt h ARG 64 CO -0.14 -0.34 -0.26 0.00 0.56 0.00 0.00 179.97 179.79 2dnt h ARG 65 N -0.53 -0.37 0.20 0.04 2.47 -0.53 -3.05 114.38 112.61 2dnt h ARG 65 Ca 0.01 0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.75 2dnt h ARG 65 Cb 0.53 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.92 2dnt h ARG 65 CO -0.12 -0.25 -0.18 1.25 0.56 0.00 0.00 179.97 181.24 2dnt h HIS 66 N -0.38 -0.49 -3.67 3.04 2.76 -0.11 -3.43 115.15 112.87 2dnt h HIS 66 Ca 0.07 0.00 -0.55 0.00 -2.20 0.00 0.00 60.37 57.69 2dnt h HIS 66 Cb 0.48 0.19 0.19 0.00 1.55 0.00 0.00 27.41 29.81 2dnt h HIS 66 CO -0.31 -0.24 -0.07 2.41 -1.30 0.00 0.00 177.93 178.42 2dnt n THR 67 N -3.38 1.94 -2.74 6.26 -1.04 0.20 -4.91 114.28 110.60 2dnt n THR 67 Ca -0.04 -0.31 -0.42 0.00 -2.04 0.00 0.00 64.05 61.23 2dnt n THR 67 Cb 0.16 -0.96 -0.03 0.00 -1.82 0.00 0.00 70.33 67.69 2dnt n THR 67 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2dnt s GLU 68 N -3.40 4.31 -0.10 -2.82 2.02 -1.26 -4.79 118.70 112.65 2dnt s GLU 68 Ca 0.69 1.25 -0.27 0.00 0.02 0.00 0.00 54.97 56.66 2dnt s GLU 68 Cb -0.32 -3.59 0.06 0.00 0.10 0.00 0.00 34.13 30.38 2dnt s GLU 68 CO 0.55 -0.45 0.63 0.15 0.02 0.00 0.00 175.26 176.16 2dnt s LYS 69 N 2.54 0.93 -1.09 1.61 -0.14 -1.26 -5.09 119.74 117.23 2dnt s LYS 69 Ca 0.43 0.40 -0.12 0.00 -1.36 0.00 0.00 55.97 55.32 2dnt s LYS 69 Cb -0.16 0.44 0.22 0.00 -1.68 0.00 0.00 37.83 36.65 2dnt s LYS 69 CO 0.11 -0.24 1.17 -0.65 -0.76 0.00 0.00 175.35 174.98 2dnt s GLN 70 N -0.75 4.04 -0.07 1.68 -1.52 -1.26 -4.98 119.66 116.80 2dnt s GLN 70 Ca -0.08 -2.79 0.03 0.00 -1.95 0.00 0.00 55.36 50.57 2dnt s GLN 70 Cb -0.02 -4.73 0.01 0.00 -0.22 0.00 0.00 33.01 28.04 2dnt s GLN 70 CO 0.07 -1.46 -0.15 0.21 -0.25 0.00 0.00 175.29 173.70 2dnt s LYS 71 N 0.18 2.05 -0.05 2.91 2.20 -1.26 -5.12 119.74 120.65 2dnt s LYS 71 Ca 0.33 -0.54 -0.01 0.00 -0.36 0.00 0.00 55.97 55.39 2dnt s LYS 71 Cb -0.07 -1.64 0.03 0.00 -1.51 0.00 0.00 37.83 34.63 2dnt s LYS 71 CO -0.06 0.08 0.03 -2.00 -0.36 0.00 0.00 175.35 173.04 2dnt s GLU 72 N 0.55 0.25 0.00 4.03 2.12 -1.26 -5.03 118.70 119.36 2dnt s GLU 72 Ca -0.15 0.22 -0.05 0.00 0.36 0.00 0.00 54.97 55.35 2dnt s GLU 72 Cb -0.16 -0.67 -0.02 0.00 0.26 0.00 0.00 34.13 33.54 2dnt s GLU 72 CO 0.05 -0.28 -0.09 0.45 -0.54 0.00 0.00 175.26 174.84 2dnt n SER 73 N 5.02 1.11 0.00 -1.70 2.88 -1.26 -5.16 113.62 114.52 2dnt n SER 73 Ca -0.09 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 2dnt n SER 73 Cb 0.50 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 2dnt n SER 73 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dnt n GLY 74 N 2.81 4.40 3.81 0.46 0.00 -1.26 -5.13 105.19 110.28 2dnt n GLY 74 Ca -0.04 -1.40 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 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 -3.15 2.32 0.00 1.61 0.04 -1.26 -5.07 135.00 129.49 2dnt s PRO 75 Ca 0.00 0.72 0.00 0.00 0.04 0.00 0.00 61.00 61.76 2dnt s PRO 75 Cb 0.00 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2dnt s PRO 75 CO 0.00 -1.47 0.00 0.45 0.04 0.00 0.00 177.00 176.02 2dnt n SER 76 N -3.35 0.00 -4.14 6.66 2.88 -1.26 -5.19 113.62 109.23 2dnt n SER 76 Ca 0.07 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.51 2dnt n SER 76 Cb 0.56 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.92 2dnt n SER 76 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dnt s SER 77 N 0.00 0.22 0.00 -3.46 1.04 -1.26 -5.21 113.70 105.03 2dnt s SER 77 Ca 0.00 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.21 2dnt s SER 77 Cb 0.00 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.46 2dnt s SER 77 CO 0.00 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.04