#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 0.07 -3.70 1.61 2.88 -1.26 -5.17 113.62 108.06 2dnt n SER 2 Ca 0.00 0.08 -0.01 0.00 -1.33 0.00 0.00 58.87 57.61 2dnt n SER 2 Cb 0.00 0.03 -0.01 0.00 -0.75 0.00 0.00 64.21 63.48 2dnt n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dnt s SER 3 N -4.61 -0.13 0.53 -3.46 1.04 -1.26 -5.16 113.70 100.65 2dnt s SER 3 Ca 0.00 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.14 2dnt s SER 3 Cb 0.00 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2dnt s SER 3 CO 0.00 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.18 2dnt n GLY 4 N -0.48 -2.82 2.10 7.32 0.00 -1.26 -5.02 105.19 105.03 2dnt n GLY 4 Ca -0.07 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.97 2dnt n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dnt n SER 5 N -4.32 -1.88 -3.79 1.61 3.41 -1.26 -5.15 113.62 102.24 2dnt n SER 5 Ca -0.06 0.59 -0.06 0.00 -0.26 0.00 0.00 58.87 59.08 2dnt n SER 5 Cb 0.66 1.89 -0.02 0.00 -0.26 0.00 0.00 64.21 66.49 2dnt n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dnt s SER 6 N -3.51 -0.22 0.00 4.04 0.15 -1.26 -5.15 113.70 107.76 2dnt s SER 6 Ca 0.00 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.10 2dnt s SER 6 Cb 0.00 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 2dnt s SER 6 CO 0.00 -1.19 0.00 0.61 1.20 0.00 0.00 173.24 173.86 2dnt n GLY 7 N -0.47 0.13 1.40 9.45 0.00 -1.26 -5.14 105.19 109.31 2dnt n GLY 7 Ca -0.05 -1.92 0.17 0.00 0.00 0.00 0.00 46.02 44.22 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 0.00 -3.06 -1.58 1.61 2.00 -1.26 -5.01 117.12 109.83 2dnt n MET 8 Ca 0.00 2.40 0.00 0.00 0.00 0.00 0.00 57.70 60.10 2dnt n MET 8 Cb 0.00 -3.65 0.00 0.00 0.00 0.00 0.00 33.22 29.57 2dnt n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2dnt n ALA 9 N -3.76 -1.98 -0.57 3.04 0.00 -1.26 -5.00 120.51 110.97 2dnt n ALA 9 Ca -0.06 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2dnt n ALA 9 Cb 0.66 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.74 2dnt n ALA 9 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2dnt n SER 10 N -0.58 0.00 -3.69 0.00 7.64 -1.26 -5.05 113.62 110.68 2dnt n SER 10 Ca 0.00 0.02 -0.10 0.00 1.01 0.00 0.00 58.87 59.80 2dnt n SER 10 Cb 0.00 -0.21 -0.11 0.00 -1.01 0.00 0.00 64.21 62.88 2dnt n SER 10 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2dnt s GLU 11 N -0.43 0.34 0.45 1.43 2.02 -1.26 -5.17 118.70 116.09 2dnt s GLU 11 Ca 0.00 0.81 0.03 0.00 0.02 0.00 0.00 54.97 55.83 2dnt s GLU 11 Cb 0.00 0.04 -0.04 0.00 0.10 0.00 0.00 34.13 34.23 2dnt s GLU 11 CO 0.00 -0.19 0.03 -1.21 0.02 0.00 0.00 175.26 173.92 2dnt s GLU 12 N 1.70 2.04 -0.00 1.61 2.02 -1.26 -5.06 118.70 119.74 2dnt s GLU 12 Ca -0.07 -2.24 -0.25 0.00 0.02 0.00 0.00 54.97 52.42 2dnt s GLU 12 Cb -0.10 -1.32 -0.18 0.00 0.10 0.00 0.00 34.13 32.63 2dnt s GLU 12 CO -0.12 -0.29 1.25 1.37 0.02 0.00 0.00 175.26 177.49 2dnt h LEU 13 N 1.60 -0.16 0.00 1.80 -0.00 -2.02 -3.48 115.31 113.06 2dnt h LEU 13 Ca -0.42 -0.31 0.00 0.00 -0.00 0.00 0.00 57.88 57.15 2dnt h LEU 13 Cb 1.28 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.98 2dnt h LEU 13 CO 0.72 0.24 0.00 -1.22 -0.00 0.00 0.00 178.44 178.18 2dnt n TYR 14 N -4.99 -0.43 -4.30 0.17 4.02 -1.26 -5.15 117.16 105.21 2dnt n TYR 14 Ca -0.09 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.46 2dnt n TYR 14 Cb 0.24 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.43 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 -1.14 3.64 -0.05 -0.72 2.12 -1.26 -5.06 118.70 116.22 2dnt s GLU 15 Ca 0.00 -0.53 -0.30 0.00 0.36 0.00 0.00 54.97 54.51 2dnt s GLU 15 Cb 0.00 -2.96 -0.06 0.00 0.26 0.00 0.00 34.13 31.37 2dnt s GLU 15 CO 0.00 0.16 1.70 0.08 -0.54 0.00 0.00 175.26 176.65 2dnt s VAL 16 N 0.59 3.52 -0.09 3.70 1.01 -1.26 -4.84 120.40 123.02 2dnt s VAL 16 Ca -0.02 0.62 -0.24 0.00 0.00 0.00 0.00 61.98 62.34 2dnt s VAL 16 Cb -0.14 -3.41 -0.20 0.00 0.00 0.00 0.00 36.38 32.62 2dnt s VAL 16 CO 0.02 -0.07 0.86 -0.08 0.00 0.00 0.00 175.10 175.84 2dnt h GLU 17 N 9.80 -0.05 0.00 2.72 4.81 -1.95 -3.50 114.58 126.41 2dnt h GLU 17 Ca -0.40 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 2dnt h GLU 17 Cb 1.18 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2dnt h GLU 17 CO 0.95 0.63 0.00 2.89 -0.73 0.00 0.00 179.01 182.75 2dnt n ARG 18 N -4.75 0.00 -3.53 1.92 1.85 -1.26 -5.01 116.66 105.88 2dnt n ARG 18 Ca -0.08 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.40 2dnt n ARG 18 Cb 0.34 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.68 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 5.26 -0.17 8.89 -1.09 -1.26 -2.92 121.20 127.91 2dnt s ILE 19 Ca 0.00 0.62 0.08 0.00 -2.23 0.00 0.00 60.65 59.12 2dnt s ILE 19 Cb 0.00 -3.65 -0.11 0.00 -1.58 0.00 0.00 42.46 37.12 2dnt s ILE 19 CO 0.00 0.42 0.25 1.33 -1.23 0.00 0.00 174.94 175.72 2dnt n VAL 20 N 3.22 0.00 -3.77 2.92 0.24 0.29 -4.97 118.33 116.26 2dnt n VAL 20 Ca -0.12 -0.24 -0.03 0.00 -2.04 0.00 0.00 64.34 61.91 2dnt n VAL 20 Cb 0.52 0.61 -0.01 0.00 -1.47 0.00 0.00 33.84 33.50 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 -2.44 -0.13 -0.28 -1.34 -1.08 -1.18 -4.95 116.67 105.27 2dnt s ASP 21 Ca -0.00 -0.44 -0.21 0.00 -0.52 0.00 0.00 52.55 51.37 2dnt s ASP 21 Cb 0.06 0.47 0.12 0.00 -1.46 0.00 0.00 42.92 42.10 2dnt s ASP 21 CO 0.34 -0.88 0.96 -0.75 0.52 0.00 0.00 175.17 175.36 2dnt s LYS 22 N -2.98 0.50 0.27 4.34 2.20 -1.26 0.19 119.74 123.01 2dnt s LYS 22 Ca 0.14 0.71 -0.18 0.00 -0.36 0.00 0.00 55.97 56.28 2dnt s LYS 22 Cb -0.01 0.19 0.07 0.00 -1.51 0.00 0.00 37.83 36.56 2dnt s LYS 22 CO 0.02 -0.08 0.91 -2.13 -0.36 0.00 0.00 175.35 173.71 2dnt n ARG 23 N 2.95 0.85 -4.24 4.03 0.63 0.14 -4.98 116.66 116.04 2dnt n ARG 23 Ca -0.15 -1.78 -0.23 0.00 -0.92 0.00 0.00 57.85 54.77 2dnt n ARG 23 Cb 0.57 2.31 -0.07 0.00 0.45 0.00 0.00 32.46 35.71 2dnt n ARG 23 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2dnt s LYS 24 N -2.07 2.29 0.53 -0.14 2.20 -1.26 0.12 119.74 121.41 2dnt s LYS 24 Ca 0.19 -1.50 0.05 0.00 -0.36 0.00 0.00 55.97 54.35 2dnt s LYS 24 Cb -0.04 -2.14 0.02 0.00 -1.51 0.00 0.00 37.83 34.17 2dnt s LYS 24 CO 0.08 0.26 0.32 0.54 -0.36 0.00 0.00 175.35 176.19 2dnt s ASN 25 N -3.73 4.54 0.55 1.43 2.20 -1.14 -4.95 114.94 113.85 2dnt s ASN 25 Ca 0.34 -1.30 0.25 0.00 -0.94 0.00 0.00 52.86 51.21 2dnt s ASN 25 Cb -0.04 0.37 1.48 0.00 -2.00 0.00 0.00 41.25 41.06 2dnt s ASN 25 CO 0.21 -1.02 2.06 0.50 -2.94 0.00 0.00 177.10 175.91 2dnt h LYS 26 N 0.89 0.00 -0.53 3.55 3.11 -2.01 0.17 116.57 121.76 2dnt h LYS 26 Ca -0.38 0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 57.36 2dnt h LYS 26 Cb 1.30 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.51 2dnt h LYS 26 CO 0.61 0.00 -0.05 0.87 -2.81 0.00 0.00 179.45 178.07 2dnt h LYS 27 N 0.00 0.97 0.00 1.90 1.57 -2.05 -3.47 116.57 115.50 2dnt h LYS 27 Ca 0.14 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 2dnt h LYS 27 Cb 0.61 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2dnt h LYS 27 CO -0.00 1.00 0.00 0.41 -0.57 0.00 0.00 179.45 180.29 2dnt n GLY 28 N -0.33 1.32 3.84 3.86 0.00 0.61 -5.10 105.19 109.38 2dnt n GLY 28 Ca 0.01 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 -0.16 3.79 -0.03 1.61 -0.14 -1.26 -4.84 119.74 118.71 2dnt s LYS 29 Ca 0.00 0.20 -0.30 0.00 -1.36 0.00 0.00 55.97 54.51 2dnt s LYS 29 Cb 0.00 -3.23 -0.04 0.00 -1.68 0.00 0.00 37.83 32.88 2dnt s LYS 29 CO 0.00 0.68 1.22 0.99 -0.76 0.00 0.00 175.35 177.48 2dnt s THR 30 N -0.92 4.17 0.02 2.17 2.01 -1.26 -2.89 115.64 118.94 2dnt s THR 30 Ca 0.20 1.51 0.08 0.00 0.31 0.00 0.00 61.69 63.80 2dnt s THR 30 Cb -0.15 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.37 2dnt s THR 30 CO 0.09 0.02 -0.25 -1.61 -0.69 0.00 0.00 174.62 172.18 2dnt s GLU 31 N 2.02 1.82 -0.10 4.92 2.02 0.32 -2.16 118.70 127.53 2dnt s GLU 31 Ca 0.57 -1.02 0.02 0.00 0.02 0.00 0.00 54.97 54.56 2dnt s GLU 31 Cb -0.26 -1.91 0.01 0.00 0.10 0.00 0.00 34.13 32.08 2dnt s GLU 31 CO 0.24 0.50 -0.15 0.71 0.02 0.00 0.00 175.26 176.58 2dnt s TYR 32 N -0.73 1.91 -0.40 1.61 2.02 0.17 0.24 117.35 122.17 2dnt s TYR 32 Ca 0.10 -0.87 -0.29 0.00 -0.37 0.00 0.00 57.07 55.65 2dnt s TYR 32 Cb -0.10 -1.38 0.01 0.00 -0.40 0.00 0.00 41.96 40.09 2dnt s TYR 32 CO 0.01 -0.44 1.44 -1.17 -1.57 0.00 0.00 175.55 173.81 2dnt s LEU 33 N 0.92 3.60 0.02 -1.29 2.96 0.49 -1.45 118.68 123.92 2dnt s LEU 33 Ca -0.08 0.89 0.07 0.00 -0.22 0.00 0.00 54.13 54.78 2dnt s LEU 33 Cb -0.15 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.98 2dnt s LEU 33 CO -0.00 -1.43 -0.21 0.54 -1.32 0.00 0.00 176.35 173.93 2dnt s VAL 34 N 5.48 1.65 0.81 1.68 0.11 -0.99 0.11 120.40 129.25 2dnt s VAL 34 Ca 0.62 -1.06 -0.09 0.00 -2.93 0.00 0.00 61.98 58.53 2dnt s VAL 34 Cb -0.15 -1.41 0.14 0.00 -1.53 0.00 0.00 36.38 33.44 2dnt s VAL 34 CO 0.32 0.31 1.13 -0.13 -3.33 0.00 0.00 175.10 173.41 2dnt s ARG 35 N -0.88 1.41 -0.12 1.54 0.52 -1.15 -3.19 118.95 117.08 2dnt s ARG 35 Ca 0.08 -0.58 -0.30 0.00 -0.52 0.00 0.00 55.73 54.41 2dnt s ARG 35 Cb -0.08 -2.09 0.08 0.00 0.52 0.00 0.00 34.95 33.38 2dnt s ARG 35 CO 0.01 -1.78 0.77 -1.58 0.02 0.00 0.00 175.30 172.74 2dnt s TRP 36 N -3.47 -0.61 0.65 -0.53 0.52 -1.26 -3.88 118.94 110.35 2dnt s TRP 36 Ca 0.68 1.16 -0.16 0.00 0.02 0.00 0.00 56.10 57.80 2dnt s TRP 36 Cb -0.06 0.39 -0.00 0.00 -1.15 0.00 0.00 33.47 32.65 2dnt s TRP 36 CO 0.48 -0.50 1.13 -1.59 0.02 0.00 0.00 176.95 176.49 2dnt s LYS 37 N -0.85 2.78 0.00 4.98 -2.85 -1.26 -3.17 119.74 119.37 2dnt s LYS 37 Ca -0.07 1.47 0.00 0.00 -1.00 0.00 0.00 55.97 56.37 2dnt s LYS 37 Cb -0.01 -1.94 0.00 0.00 -2.06 0.00 0.00 37.83 33.82 2dnt s LYS 37 CO 0.06 -1.28 0.00 0.41 0.10 0.00 0.00 175.35 174.64 2dnt n GLY 38 N -0.31 1.85 3.83 0.59 0.00 -1.26 -4.98 105.19 104.92 2dnt n GLY 38 Ca 0.11 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.36 3.35 0.82 1.61 1.51 -1.19 -5.07 117.35 118.02 2dnt s TYR 39 Ca 0.00 1.47 -0.14 0.00 -1.01 0.00 0.00 57.07 57.39 2dnt s TYR 39 Cb 0.00 -2.73 0.20 0.00 -0.11 0.00 0.00 41.96 39.31 2dnt s TYR 39 CO 0.00 -0.02 0.91 -0.25 -1.11 0.00 0.00 175.55 175.08 2dnt n ASP 40 N -0.49 -0.84 0.01 2.29 8.00 -1.26 -4.83 116.55 119.43 2dnt n ASP 40 Ca 0.05 -1.18 -0.08 0.00 0.71 0.00 0.00 54.79 54.29 2dnt n ASP 40 Cb 0.54 -0.75 0.08 0.00 -0.02 0.00 0.00 41.12 40.96 2dnt n ASP 40 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 2dnt h SER 41 N -1.78 0.56 -0.40 -2.24 4.64 -1.97 -2.60 113.55 109.75 2dnt h SER 41 Ca -0.31 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 2dnt h SER 41 Cb 0.91 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 2dnt h SER 41 CO 0.21 0.97 0.00 -1.84 -0.87 0.00 0.00 176.83 175.31 2dnt n GLU 42 N -3.97 3.22 -0.00 4.77 0.28 -1.26 -3.54 120.64 120.14 2dnt n GLU 42 Ca -0.03 -1.98 0.06 0.00 -0.16 0.00 0.00 57.16 55.05 2dnt n GLU 42 Cb 0.58 -1.86 -0.07 0.00 1.43 0.00 0.00 31.44 31.52 2dnt n GLU 42 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2dnt n ASP 43 N 0.52 0.98 -4.34 -1.84 9.92 -0.98 -5.02 116.55 115.78 2dnt n ASP 43 Ca 0.18 -0.58 -0.44 0.00 -0.53 0.00 0.00 54.79 53.42 2dnt n ASP 43 Cb 0.76 1.14 -0.01 0.00 -0.64 0.00 0.00 41.12 42.37 2dnt n ASP 43 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2dnt n ASP 44 N -1.43 -2.26 -4.61 -2.24 8.00 -1.22 -4.86 116.55 107.93 2dnt n ASP 44 Ca 0.01 0.92 -0.23 0.00 0.71 0.00 0.00 54.79 56.20 2dnt n ASP 44 Cb 0.21 -0.91 -0.08 0.00 -0.02 0.00 0.00 41.12 40.32 2dnt n ASP 44 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2dnt s THR 45 N -1.45 3.08 -0.29 -3.53 -4.23 -1.19 -5.00 115.64 103.03 2dnt s THR 45 Ca 0.61 -2.01 -0.09 0.00 -1.18 0.00 0.00 61.69 59.02 2dnt s THR 45 Cb -0.73 -2.74 -0.02 0.00 1.34 0.00 0.00 72.50 70.35 2dnt s THR 45 CO 0.60 -0.34 0.14 0.26 -0.54 0.00 0.00 174.62 174.75 2dnt s TRP 46 N -2.40 3.16 -0.09 3.99 0.52 -1.26 -2.35 118.94 120.50 2dnt s TRP 46 Ca 0.32 -0.40 0.00 0.00 0.02 0.00 0.00 56.10 56.04 2dnt s TRP 46 Cb -0.05 -2.33 -0.03 0.00 -1.15 0.00 0.00 33.47 29.92 2dnt s TRP 46 CO 0.19 -0.38 -0.09 -1.21 0.02 0.00 0.00 176.95 175.49 2dnt s GLU 47 N 1.64 2.98 0.20 4.98 0.41 -0.53 -4.84 118.70 123.55 2dnt s GLU 47 Ca 0.06 -0.60 -0.30 0.00 -0.41 0.00 0.00 54.97 53.72 2dnt s GLU 47 Cb -0.16 -2.61 -0.08 0.00 -1.78 0.00 0.00 34.13 29.49 2dnt s GLU 47 CO 0.06 0.50 1.11 -1.25 -0.49 0.00 0.00 175.26 175.19 2dnt s PRO 48 N -0.37 4.60 0.37 0.39 0.04 -1.26 0.41 135.00 139.17 2dnt s PRO 48 Ca 0.05 1.75 0.20 0.00 0.04 0.00 0.00 61.00 63.03 2dnt s PRO 48 Cb -0.12 -3.26 1.31 0.00 0.04 0.00 0.00 34.50 32.47 2dnt s PRO 48 CO 0.02 0.09 1.59 1.49 0.04 0.00 0.00 177.00 180.24 2dnt h GLU 49 N 4.87 0.05 -0.58 4.56 4.22 -1.78 1.47 114.58 127.40 2dnt h GLU 49 Ca -0.45 -0.00 0.08 0.00 0.08 0.00 0.00 59.36 59.06 2dnt h GLU 49 Cb 1.21 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.39 2dnt h GLU 49 CO 0.72 0.03 0.25 0.37 -2.18 0.00 0.00 179.01 178.20 2dnt h GLN 50 N 0.05 0.45 -0.19 1.92 4.15 -1.91 -0.69 115.11 118.89 2dnt h GLN 50 Ca 0.83 -0.03 -0.13 0.00 0.77 0.00 0.00 58.65 60.09 2dnt h GLN 50 Cb 2.16 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 29.74 2dnt h GLN 50 CO -0.74 0.30 -0.44 0.45 -1.93 0.00 0.00 178.83 176.46 2dnt h HIS 51 N 0.46 0.55 0.00 3.99 3.86 0.16 -3.33 115.15 120.85 2dnt h HIS 51 Ca 0.28 -0.17 -0.68 0.00 -1.16 0.00 0.00 60.37 58.64 2dnt h HIS 51 Cb 0.29 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.64 2dnt h HIS 51 CO -0.14 0.83 2.75 1.28 0.86 0.00 0.00 177.93 183.50 2dnt n LEU 52 N -4.01 5.56 -4.82 2.43 4.77 -0.15 -4.90 117.00 115.88 2dnt n LEU 52 Ca -0.02 -3.55 -0.38 0.00 -0.03 0.00 0.00 56.01 52.04 2dnt n LEU 52 Cb 0.53 -1.40 -0.06 0.00 -2.33 0.00 0.00 43.42 40.16 2dnt n LEU 52 CO 0.44 0.42 0.03 -0.69 -1.33 0.00 0.00 177.39 176.26 2dnt s VAL 53 N 4.04 5.18 0.00 4.08 1.01 -1.25 -3.83 120.40 129.63 2dnt s VAL 53 Ca 0.52 0.67 0.00 0.00 0.00 0.00 0.00 61.98 63.17 2dnt s VAL 53 Cb 0.14 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.88 2dnt s VAL 53 CO 0.01 0.54 0.00 0.59 0.00 0.00 0.00 175.10 176.24 2dnt n ASN 54 N 2.23 -2.65 -0.04 3.32 3.02 -1.26 -4.75 115.26 115.12 2dnt n ASN 54 Ca -0.15 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.44 2dnt n ASN 54 Cb 0.53 -1.45 0.05 0.00 -0.61 0.00 0.00 39.78 38.30 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 0.00 -0.03 0.00 5.08 -1.86 -2.84 114.58 114.93 2dnt h GLU 56 Ca 0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2dnt h GLU 56 Cb 0.74 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 2dnt h GLU 56 CO 0.00 0.00 -0.14 1.49 -1.00 0.00 0.00 179.01 179.36 2dnt h GLU 57 N 0.00 -0.15 -0.50 2.33 4.81 -1.94 0.56 114.58 119.68 2dnt h GLU 57 Ca 0.09 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.42 2dnt h GLU 57 Cb 0.46 0.03 -0.10 0.00 0.63 0.00 0.00 28.75 29.77 2dnt h GLU 57 CO -0.00 -0.10 -0.33 1.88 -0.73 0.00 0.00 179.01 179.73 2dnt h TYR 58 N -0.16 -0.92 -0.19 0.92 0.05 -1.89 0.60 116.97 115.38 2dnt h TYR 58 Ca 0.01 0.07 0.05 0.00 0.05 0.00 0.00 58.73 58.90 2dnt h TYR 58 Cb 0.18 0.48 -0.07 0.00 1.01 0.00 0.00 36.73 38.33 2dnt h TYR 58 CO -0.47 -0.38 -0.43 0.82 -1.05 0.00 0.00 178.16 176.64 2dnt h ILE 59 N -0.20 0.13 -0.57 -2.88 2.04 -1.46 1.12 117.51 115.67 2dnt h ILE 59 Ca 0.20 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.17 2dnt h ILE 59 Cb 0.54 0.13 -0.11 0.00 -0.74 0.00 0.00 36.82 36.64 2dnt h ILE 59 CO -0.61 0.00 -0.24 0.45 0.00 0.00 0.00 178.15 177.75 2dnt h HIS 60 N -0.46 -0.61 0.09 1.37 3.86 0.14 1.10 115.15 120.65 2dnt h HIS 60 Ca 0.08 0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.36 2dnt h HIS 60 Cb 0.62 0.35 -0.00 0.00 1.06 0.00 0.00 27.41 29.44 2dnt h HIS 60 CO -0.52 -0.33 -0.07 0.22 0.86 0.00 0.00 177.93 178.10 2dnt h ASP 61 N -0.10 -0.18 -0.83 2.45 1.82 0.58 0.40 116.42 120.57 2dnt h ASP 61 Ca 0.26 0.01 0.11 0.00 -0.39 0.00 0.00 57.03 57.02 2dnt h ASP 61 Cb 0.50 0.06 -0.08 0.00 0.68 0.00 0.00 39.33 40.49 2dnt h ASP 61 CO -0.64 -0.11 0.46 0.15 -1.61 0.00 0.00 179.24 177.49 2dnt h PHE 62 N -0.17 0.83 0.06 0.28 3.04 0.33 0.41 116.94 121.72 2dnt h PHE 62 Ca -0.00 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 61.97 2dnt h PHE 62 Cb 0.15 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 38.41 2dnt h PHE 62 CO -0.09 0.30 -0.03 -0.91 -2.02 0.00 0.00 178.31 175.56 2dnt h ASN 63 N 0.74 -0.07 0.15 0.41 2.35 0.17 0.29 115.58 119.62 2dnt h ASN 63 Ca 0.41 -0.09 0.01 0.00 -0.55 0.00 0.00 56.30 56.07 2dnt h ASN 63 Cb 0.43 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 2dnt h ASN 63 CO -0.28 0.05 -0.17 0.03 -1.65 0.00 0.00 177.43 175.42 2dnt h ARG 64 N -0.19 -0.34 -0.23 0.81 2.47 0.01 -0.56 114.38 116.35 2dnt h ARG 64 Ca -0.01 0.02 0.05 0.00 -1.26 0.00 0.00 59.98 58.78 2dnt h ARG 64 Cb 0.16 0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.52 2dnt h ARG 64 CO 0.01 -0.23 -0.06 0.00 0.56 0.00 0.00 179.97 180.25 2dnt h ARG 65 N -0.36 -0.01 0.00 0.04 2.47 -0.12 -3.08 114.38 113.32 2dnt h ARG 65 Ca 0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 2dnt h ARG 65 Cb 0.35 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.67 2dnt h ARG 65 CO -0.06 -0.01 -0.01 1.25 0.56 0.00 0.00 179.97 181.71 2dnt h HIS 66 N -0.01 -0.01 -3.59 3.04 2.76 -0.11 -3.43 115.15 113.80 2dnt h HIS 66 Ca 0.11 0.00 -0.42 0.00 -2.20 0.00 0.00 60.37 57.86 2dnt h HIS 66 Cb 0.18 0.01 0.19 0.00 1.55 0.00 0.00 27.41 29.33 2dnt h HIS 66 CO -0.24 -0.01 0.19 0.95 -1.30 0.00 0.00 177.93 177.53 2dnt s THR 67 N -3.03 1.67 0.99 6.26 -4.23 -0.24 -5.04 115.64 112.02 2dnt s THR 67 Ca -0.00 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.36 2dnt s THR 67 Cb 0.00 -2.60 0.19 0.00 1.34 0.00 0.00 72.50 71.43 2dnt s THR 67 CO 0.01 0.00 1.16 -1.61 -0.54 0.00 0.00 174.62 173.64 2dnt s GLU 68 N -5.54 0.45 0.43 3.99 2.02 -1.26 -4.79 118.70 114.00 2dnt s GLU 68 Ca 0.72 0.10 0.04 0.00 0.02 0.00 0.00 54.97 55.85 2dnt s GLU 68 Cb -0.08 -1.78 -0.04 0.00 0.10 0.00 0.00 34.13 32.33 2dnt s GLU 68 CO 0.55 -2.63 0.04 0.21 0.02 0.00 0.00 175.26 173.45 2dnt s LYS 69 N -5.39 1.98 -0.12 1.61 2.20 -1.26 -4.90 119.74 113.87 2dnt s LYS 69 Ca 0.67 -2.19 -0.15 0.00 -0.36 0.00 0.00 55.97 53.94 2dnt s LYS 69 Cb -0.12 -1.26 0.04 0.00 -1.51 0.00 0.00 37.83 34.98 2dnt s LYS 69 CO 0.54 -0.27 0.39 -1.14 -0.36 0.00 0.00 175.35 174.51 2dnt s GLN 70 N -3.80 0.52 0.77 4.03 -0.44 -1.26 -5.16 119.66 114.33 2dnt s GLN 70 Ca 0.23 0.39 -0.12 0.00 -2.50 0.00 0.00 55.36 53.36 2dnt s GLN 70 Cb 0.05 0.25 0.06 0.00 -1.64 0.00 0.00 33.01 31.73 2dnt s GLN 70 CO 0.11 -0.09 1.13 0.21 0.50 0.00 0.00 175.29 177.15 2dnt s LYS 71 N -0.15 2.09 0.50 1.67 2.36 -1.26 -4.80 119.74 120.16 2dnt s LYS 71 Ca -0.03 1.41 0.00 0.00 -2.55 0.00 0.00 55.97 54.79 2dnt s LYS 71 Cb -0.03 -1.86 0.00 0.00 -1.05 0.00 0.00 37.83 34.89 2dnt s LYS 71 CO 0.02 -1.80 0.00 0.39 1.55 0.00 0.00 175.35 175.50 2dnt n GLU 72 N -3.28 -2.85 0.11 4.03 1.02 -1.26 -5.00 120.64 113.40 2dnt n GLU 72 Ca 0.11 2.27 0.00 0.00 -0.02 0.00 0.00 57.16 59.51 2dnt n GLU 72 Cb 0.52 -3.43 0.00 0.00 -0.02 0.00 0.00 31.44 28.51 2dnt n GLU 72 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2dnt n SER 73 N -4.24 -0.07 -4.15 1.62 7.64 -1.26 -5.06 113.62 108.09 2dnt n SER 73 Ca -0.07 0.37 -0.34 0.00 1.01 0.00 0.00 58.87 59.84 2dnt n SER 73 Cb 0.62 0.28 -0.15 0.00 -1.01 0.00 0.00 64.21 63.96 2dnt n SER 73 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dnt s GLY 74 N -4.95 1.61 0.15 0.23 0.00 -1.26 -4.98 107.32 98.13 2dnt s GLY 74 Ca 0.00 -1.53 -0.02 0.00 0.00 0.00 0.00 44.72 43.16 2dnt s GLY 74 CO 0.00 0.52 1.36 -0.56 0.00 0.00 0.00 173.10 174.43 2dnt h PRO 75 N 7.94 0.37 -0.63 2.90 0.13 -1.97 -3.29 132.00 137.44 2dnt h PRO 75 Ca -0.30 -0.36 0.10 0.00 -0.87 0.00 0.00 66.00 64.56 2dnt h PRO 75 Cb 1.09 0.09 -0.11 0.00 0.13 0.00 0.00 31.00 32.20 2dnt h PRO 75 CO 0.55 1.03 -0.40 0.77 -0.23 0.00 0.00 178.00 179.72 2dnt h SER 76 N 0.23 -1.40 0.01 1.44 0.02 -2.07 -0.51 113.55 111.27 2dnt h SER 76 Ca -0.06 0.25 0.03 0.00 -0.84 0.00 0.00 61.79 61.17 2dnt h SER 76 Cb 1.46 0.66 -0.05 0.00 0.14 0.00 0.00 62.40 64.61 2dnt h SER 76 CO 0.14 -0.32 -0.40 -1.28 -1.14 0.00 0.00 176.83 173.84 2dnt h SER 77 N -0.18 -1.20 0.00 3.07 0.87 -2.01 -3.56 113.55 110.54 2dnt h SER 77 Ca 0.21 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 2dnt h SER 77 Cb 0.56 0.47 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 2dnt h SER 77 CO -0.72 -0.45 0.00 0.61 -0.53 0.00 0.00 176.83 175.74