#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 5.15 -0.08 1.61 1.04 -1.26 -5.08 113.70 115.08 2dnt s SER 2 Ca 0.00 -0.35 -0.03 0.00 0.48 0.00 0.00 55.95 56.05 2dnt s SER 2 Cb 0.00 -1.20 0.04 0.00 0.10 0.00 0.00 66.02 64.95 2dnt s SER 2 CO 0.00 0.01 0.06 -0.55 0.98 0.00 0.00 173.24 173.74 2dnt s SER 3 N -3.51 1.49 0.08 7.02 0.15 -1.26 -4.74 113.70 112.93 2dnt s SER 3 Ca 0.31 -0.11 0.01 0.00 0.70 0.00 0.00 55.95 56.86 2dnt s SER 3 Cb -0.08 -0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 63.99 2dnt s SER 3 CO 0.22 -0.27 -0.06 -0.83 1.20 0.00 0.00 173.24 173.50 2dnt s GLY 4 N 2.14 0.69 0.11 9.45 0.00 -1.26 -5.07 107.32 113.37 2dnt s GLY 4 Ca 0.04 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.49 2dnt s GLY 4 CO -0.05 -1.37 0.00 1.44 0.00 0.00 0.00 173.10 173.12 2dnt n SER 5 N 0.13 0.36 -1.37 1.64 7.64 -1.26 -5.15 113.62 115.60 2dnt n SER 5 Ca -0.13 0.17 0.17 0.00 1.01 0.00 0.00 58.87 60.09 2dnt n SER 5 Cb 0.60 -0.02 -0.08 0.00 -1.01 0.00 0.00 64.21 63.71 2dnt n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dnt n SER 6 N -3.22 -7.88 0.00 6.43 7.64 -1.26 -5.07 113.62 110.26 2dnt n SER 6 Ca 0.00 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.04 2dnt n SER 6 Cb 0.12 -4.55 0.00 0.00 -1.01 0.00 0.00 64.21 58.77 2dnt n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dnt n GLY 7 N -4.22 3.24 3.05 0.23 0.00 -1.26 -5.15 105.19 101.08 2dnt n GLY 7 Ca -0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 46.02 45.69 2dnt n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2dnt s MET 8 N -1.15 0.50 0.07 1.61 1.75 -1.26 -4.99 119.30 115.83 2dnt s MET 8 Ca 0.00 0.45 0.00 0.00 -1.25 0.00 0.00 55.69 54.89 2dnt s MET 8 Cb 0.00 0.05 0.00 0.00 2.84 0.00 0.00 34.83 37.72 2dnt s MET 8 CO 0.00 -0.98 0.00 0.00 -0.65 0.00 0.00 175.02 173.39 2dnt n ALA 9 N 5.39 0.00 -2.91 4.11 0.00 -1.26 -5.09 120.51 120.76 2dnt n ALA 9 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.05 2dnt n ALA 9 Cb 0.52 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.87 2dnt n ALA 9 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2dnt s SER 10 N -1.97 5.83 -1.25 0.00 0.01 -1.26 -5.00 113.70 110.07 2dnt s SER 10 Ca 0.00 -1.19 -0.20 0.00 1.31 0.00 0.00 55.95 55.88 2dnt s SER 10 Cb 0.00 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 64.17 2dnt s SER 10 CO 0.00 -0.49 1.85 -0.62 0.41 0.00 0.00 173.24 174.39 2dnt n GLU 11 N 5.03 2.55 -1.20 12.44 4.71 -1.26 -4.95 120.64 137.96 2dnt n GLU 11 Ca -0.11 -2.89 -0.29 0.00 -0.01 0.00 0.00 57.16 53.86 2dnt n GLU 11 Cb 0.45 -3.54 0.16 0.00 -1.01 0.00 0.00 31.44 27.50 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 4.97 0.66 0.01 3.49 2.02 -1.26 -4.98 118.70 123.61 2dnt s GLU 12 Ca 0.59 0.57 -0.06 0.00 0.02 0.00 0.00 54.97 56.08 2dnt s GLU 12 Cb 0.04 -1.76 -0.03 0.00 0.10 0.00 0.00 34.13 32.48 2dnt s GLU 12 CO 0.09 -2.59 1.09 1.37 0.02 0.00 0.00 175.26 175.24 2dnt h LEU 13 N -1.79 -0.22 -7.00 1.80 -0.00 -2.08 -3.46 115.31 102.56 2dnt h LEU 13 Ca -0.53 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.37 2dnt h LEU 13 Cb 1.32 0.07 -0.22 0.00 -0.00 0.00 0.00 40.66 41.83 2dnt h LEU 13 CO 0.57 -0.11 0.13 -0.31 -0.00 0.00 0.00 178.44 178.72 2dnt s TYR 14 N -3.47 -0.85 -0.16 0.17 2.02 -1.26 -5.10 117.35 108.70 2dnt s TYR 14 Ca -0.03 1.89 -0.29 0.00 -0.37 0.00 0.00 57.07 58.27 2dnt s TYR 14 Cb 0.01 0.42 -0.01 0.00 -0.40 0.00 0.00 41.96 41.98 2dnt s TYR 14 CO 0.10 -0.42 1.09 -1.21 -1.57 0.00 0.00 175.55 173.54 2dnt s GLU 15 N 0.89 4.31 -0.04 -0.62 2.02 -1.26 -4.95 118.70 119.04 2dnt s GLU 15 Ca -0.04 1.46 -0.34 0.00 0.02 0.00 0.00 54.97 56.07 2dnt s GLU 15 Cb -0.05 -3.62 -0.12 0.00 0.10 0.00 0.00 34.13 30.44 2dnt s GLU 15 CO -0.08 -0.53 1.86 0.28 0.02 0.00 0.00 175.26 176.81 2dnt n VAL 16 N 5.03 0.54 -0.07 2.63 0.31 -1.26 -4.84 118.33 120.67 2dnt n VAL 16 Ca 0.11 -0.10 -0.14 0.00 -0.01 0.00 0.00 64.34 64.21 2dnt n VAL 16 Cb 0.47 -1.90 -0.11 0.00 -0.91 0.00 0.00 33.84 31.38 2dnt n VAL 16 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2dnt h GLU 17 N 9.05 0.00 0.00 5.55 4.81 -1.93 -3.50 114.58 128.55 2dnt h GLU 17 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2dnt h GLU 17 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 2dnt h GLU 17 CO 0.94 0.87 0.00 2.89 -0.73 0.00 0.00 179.01 182.98 2dnt n ARG 18 N -4.59 0.00 -3.45 1.92 1.85 -1.26 -5.01 116.66 106.12 2dnt n ARG 18 Ca -0.13 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.34 2dnt n ARG 18 Cb 0.47 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.81 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 5.23 -0.05 8.89 -1.09 -1.26 -2.96 121.20 127.97 2dnt s ILE 19 Ca 0.00 0.74 0.10 0.00 -2.23 0.00 0.00 60.65 59.26 2dnt s ILE 19 Cb 0.00 -3.71 -0.15 0.00 -1.58 0.00 0.00 42.46 37.02 2dnt s ILE 19 CO 0.00 0.39 0.23 1.33 -1.23 0.00 0.00 174.94 175.66 2dnt n VAL 20 N 3.41 0.00 -3.77 2.92 0.24 0.26 -4.95 118.33 116.44 2dnt n VAL 20 Ca -0.10 -0.23 -0.07 0.00 -2.04 0.00 0.00 64.34 61.90 2dnt n VAL 20 Cb 0.52 0.33 -0.02 0.00 -1.47 0.00 0.00 33.84 33.20 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 -3.04 -0.27 -0.29 -1.34 -1.08 -1.19 -4.96 116.67 104.50 2dnt s ASP 21 Ca -0.03 -0.47 -0.20 0.00 -0.52 0.00 0.00 52.55 51.33 2dnt s ASP 21 Cb 0.06 0.64 0.13 0.00 -1.46 0.00 0.00 42.92 42.29 2dnt s ASP 21 CO 0.41 -1.16 0.97 -0.75 0.52 0.00 0.00 175.17 175.15 2dnt s LYS 22 N -3.70 0.47 0.34 4.34 2.20 -1.26 0.18 119.74 122.31 2dnt s LYS 22 Ca 0.10 0.69 -0.13 0.00 -0.36 0.00 0.00 55.97 56.27 2dnt s LYS 22 Cb -0.04 0.16 0.03 0.00 -1.51 0.00 0.00 37.83 36.46 2dnt s LYS 22 CO 0.03 -0.08 0.66 1.03 -0.36 0.00 0.00 175.35 176.63 2dnt s ARG 23 N 0.89 1.98 0.07 4.03 1.81 0.17 -4.99 118.95 122.91 2dnt s ARG 23 Ca -0.04 -1.40 0.01 0.00 -1.72 0.00 0.00 55.73 52.57 2dnt s ARG 23 Cb -0.04 0.56 -0.04 0.00 -0.45 0.00 0.00 34.95 34.97 2dnt s ARG 23 CO -0.12 -0.89 0.19 0.21 -0.68 0.00 0.00 175.30 174.02 2dnt s LYS 24 N -3.03 3.36 0.74 3.54 2.20 -1.26 0.52 119.74 125.80 2dnt s LYS 24 Ca 0.19 -0.48 -0.00 0.00 -0.36 0.00 0.00 55.97 55.32 2dnt s LYS 24 Cb -0.03 -2.99 0.15 0.00 -1.51 0.00 0.00 37.83 33.44 2dnt s LYS 24 CO 0.12 0.60 1.01 0.09 -0.36 0.00 0.00 175.35 176.82 2dnt n ASN 25 N 0.29 1.39 -0.27 1.43 3.02 0.35 -4.88 115.26 116.59 2dnt n ASN 25 Ca -0.06 -2.17 -0.06 0.00 -0.03 0.00 0.00 54.58 52.27 2dnt n ASN 25 Cb 0.51 -0.65 0.05 0.00 -0.61 0.00 0.00 39.78 39.08 2dnt n ASN 25 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2dnt h LYS 26 N 0.00 1.11 0.00 3.52 3.11 -2.00 0.05 116.57 122.36 2dnt h LYS 26 Ca -0.33 -0.21 0.00 0.00 -2.81 0.00 0.00 60.65 57.30 2dnt h LYS 26 Cb 1.24 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 32.29 2dnt h LYS 26 CO 0.36 0.92 0.00 1.63 -2.81 0.00 0.00 179.45 179.55 2dnt n LYS 27 N -4.32 0.04 -0.35 1.90 5.02 -1.26 -4.83 118.16 114.36 2dnt n LYS 27 Ca 0.06 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 2dnt n LYS 27 Cb 0.19 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 2dnt n LYS 27 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dnt n GLY 28 N 0.21 0.80 3.75 0.72 0.00 0.00 -5.06 105.19 105.61 2dnt n GLY 28 Ca 0.04 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.67 4.82 -0.20 1.61 -0.14 -1.26 -4.60 119.74 119.29 2dnt s LYS 29 Ca 0.00 1.46 -0.23 0.00 -1.36 0.00 0.00 55.97 55.84 2dnt s LYS 29 Cb 0.00 -3.29 -0.02 0.00 -1.68 0.00 0.00 37.83 32.84 2dnt s LYS 29 CO 0.00 0.47 0.76 0.99 -0.76 0.00 0.00 175.35 176.81 2dnt s THR 30 N -0.99 4.92 -0.00 2.17 2.01 -1.26 0.13 115.64 122.62 2dnt s THR 30 Ca 0.42 1.46 0.06 0.00 0.31 0.00 0.00 61.69 63.93 2dnt s THR 30 Cb -0.25 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.16 2dnt s THR 30 CO 0.31 0.02 -0.16 -1.61 -0.69 0.00 0.00 174.62 172.49 2dnt s GLU 31 N 2.28 2.28 -0.14 4.92 0.41 0.18 -2.21 118.70 126.43 2dnt s GLU 31 Ca 0.34 -0.85 0.01 0.00 -0.41 0.00 0.00 54.97 54.06 2dnt s GLU 31 Cb -0.16 -2.27 0.02 0.00 -1.78 0.00 0.00 34.13 29.93 2dnt s GLU 31 CO 0.10 0.58 -0.16 0.71 -0.49 0.00 0.00 175.26 176.00 2dnt s TYR 32 N -0.83 2.20 -0.40 1.61 2.02 0.14 -0.66 117.35 121.44 2dnt s TYR 32 Ca 0.13 -1.16 -0.29 0.00 -0.37 0.00 0.00 57.07 55.38 2dnt s TYR 32 Cb -0.11 -1.58 0.00 0.00 -0.40 0.00 0.00 41.96 39.87 2dnt s TYR 32 CO 0.03 -0.61 1.54 -1.17 -1.57 0.00 0.00 175.55 173.77 2dnt s LEU 33 N 1.22 3.55 -0.00 -1.29 2.96 0.49 -1.06 118.68 124.54 2dnt s LEU 33 Ca -0.00 0.94 0.07 0.00 -0.22 0.00 0.00 54.13 54.92 2dnt s LEU 33 Cb -0.14 -3.50 -0.02 0.00 0.50 0.00 0.00 46.19 43.04 2dnt s LEU 33 CO -0.07 -1.55 -0.23 0.54 -1.32 0.00 0.00 176.35 173.73 2dnt s VAL 34 N 5.96 1.82 0.87 1.68 0.11 -0.97 0.92 120.40 130.79 2dnt s VAL 34 Ca 0.67 -1.04 -0.11 0.00 -2.93 0.00 0.00 61.98 58.56 2dnt s VAL 34 Cb -0.16 -1.52 0.16 0.00 -1.53 0.00 0.00 36.38 33.33 2dnt s VAL 34 CO 0.33 0.46 1.21 -0.13 -3.33 0.00 0.00 175.10 173.63 2dnt s ARG 35 N -0.69 1.12 -0.09 1.54 0.52 -1.15 -3.30 118.95 116.90 2dnt s ARG 35 Ca 0.09 -0.52 -0.30 0.00 -0.52 0.00 0.00 55.73 54.47 2dnt s ARG 35 Cb -0.09 -2.00 0.08 0.00 0.52 0.00 0.00 34.95 33.47 2dnt s ARG 35 CO -0.00 -2.02 0.76 -1.58 0.02 0.00 0.00 175.30 172.47 2dnt s TRP 36 N -3.64 -0.59 0.60 -0.53 0.52 -1.26 -3.91 118.94 110.14 2dnt s TRP 36 Ca 0.70 1.05 -0.19 0.00 0.02 0.00 0.00 56.10 57.67 2dnt s TRP 36 Cb -0.05 0.41 -0.03 0.00 -1.15 0.00 0.00 33.47 32.65 2dnt s TRP 36 CO 0.50 -0.53 1.30 0.21 0.02 0.00 0.00 176.95 178.45 2dnt s LYS 37 N -1.09 2.81 0.00 4.98 2.36 -1.26 -2.75 119.74 124.79 2dnt s LYS 37 Ca -0.08 2.09 0.00 0.00 -2.55 0.00 0.00 55.97 55.42 2dnt s LYS 37 Cb -0.00 -2.00 0.00 0.00 -1.05 0.00 0.00 37.83 34.78 2dnt s LYS 37 CO 0.07 -1.40 0.00 0.41 1.55 0.00 0.00 175.35 175.98 2dnt n GLY 38 N 0.79 1.53 3.68 5.54 0.00 -1.26 -4.93 105.19 110.53 2dnt n GLY 38 Ca 0.14 -0.02 -0.47 0.00 0.00 0.00 0.00 46.02 45.67 2dnt n GLY 38 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2dnt n TYR 39 N 0.00 2.31 -0.38 1.61 4.02 -1.11 -4.96 117.16 118.65 2dnt n TYR 39 Ca 0.00 0.11 -0.16 0.00 -0.01 0.00 0.00 57.90 57.85 2dnt n TYR 39 Cb 0.00 -2.61 0.14 0.00 -0.02 0.00 0.00 39.34 36.85 2dnt n TYR 39 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2dnt n ASP 40 N 5.19 -2.51 -0.11 7.72 9.92 -1.26 -4.73 116.55 130.78 2dnt n ASP 40 Ca 0.20 -0.61 -0.11 0.00 -0.53 0.00 0.00 54.79 53.75 2dnt n ASP 40 Cb 0.29 -0.51 -0.03 0.00 -0.64 0.00 0.00 41.12 40.23 2dnt n ASP 40 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 2dnt h SER 41 N -2.47 0.54 -0.38 -2.24 0.87 -1.97 -2.44 113.55 105.46 2dnt h SER 41 Ca -0.21 -0.31 -0.08 0.00 -1.23 0.00 0.00 61.79 59.96 2dnt h SER 41 Cb 0.67 -0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 62.43 2dnt h SER 41 CO 0.13 0.72 0.10 -0.62 -0.53 0.00 0.00 176.83 176.63 2dnt n GLU 42 N -4.55 2.71 -0.00 2.24 -0.58 -1.26 -3.46 120.64 115.73 2dnt n GLU 42 Ca -0.02 -1.68 0.05 0.00 -0.42 0.00 0.00 57.16 55.08 2dnt n GLU 42 Cb 0.26 -1.84 -0.08 0.00 -0.57 0.00 0.00 31.44 29.22 2dnt n GLU 42 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2dnt n ASP 43 N 0.13 2.33 -4.35 1.62 -0.08 -0.93 -5.03 116.55 110.25 2dnt n ASP 43 Ca 0.20 -0.11 -0.41 0.00 -1.51 0.00 0.00 54.79 52.96 2dnt n ASP 43 Cb 0.87 1.40 0.01 0.00 2.34 0.00 0.00 41.12 45.73 2dnt n ASP 43 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2dnt n ASP 44 N -1.76 -2.24 -4.52 1.67 8.00 -1.19 -4.83 116.55 111.69 2dnt n ASP 44 Ca -0.01 0.82 -0.24 0.00 0.71 0.00 0.00 54.79 56.07 2dnt n ASP 44 Cb 0.25 -0.97 -0.09 0.00 -0.02 0.00 0.00 41.12 40.29 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 -1.66 2.74 -0.28 -3.53 -4.23 -1.21 -5.01 115.64 102.46 2dnt s THR 45 Ca 0.61 -2.28 -0.10 0.00 -1.18 0.00 0.00 61.69 58.74 2dnt s THR 45 Cb -0.60 -2.45 -0.04 0.00 1.34 0.00 0.00 72.50 70.76 2dnt s THR 45 CO 0.61 -0.39 0.16 0.26 -0.54 0.00 0.00 174.62 174.72 2dnt s TRP 46 N -2.46 3.18 -0.14 3.99 0.52 -1.26 -2.29 118.94 120.48 2dnt s TRP 46 Ca 0.30 -0.13 -0.03 0.00 0.02 0.00 0.00 56.10 56.27 2dnt s TRP 46 Cb -0.05 -2.35 -0.03 0.00 -1.15 0.00 0.00 33.47 29.89 2dnt s TRP 46 CO 0.16 -0.26 -0.05 -1.21 0.02 0.00 0.00 176.95 175.61 2dnt s GLU 47 N 1.70 3.52 0.19 4.98 0.41 -0.23 -4.82 118.70 124.46 2dnt s GLU 47 Ca 0.06 -0.54 -0.30 0.00 -0.41 0.00 0.00 54.97 53.78 2dnt s GLU 47 Cb -0.16 -2.84 -0.08 0.00 -1.78 0.00 0.00 34.13 29.27 2dnt s GLU 47 CO 0.09 0.30 1.12 -1.25 -0.49 0.00 0.00 175.26 175.02 2dnt s PRO 48 N 0.19 4.58 0.35 0.39 0.04 -1.26 0.27 135.00 139.56 2dnt s PRO 48 Ca -0.03 1.75 0.15 0.00 0.04 0.00 0.00 61.00 62.91 2dnt s PRO 48 Cb -0.14 -3.26 1.13 0.00 0.04 0.00 0.00 34.50 32.27 2dnt s PRO 48 CO 0.03 0.06 1.62 1.49 0.04 0.00 0.00 177.00 180.23 2dnt h GLU 49 N 5.03 0.14 -0.93 4.56 4.22 -1.79 1.53 114.58 127.34 2dnt h GLU 49 Ca -0.45 -0.01 0.12 0.00 0.08 0.00 0.00 59.36 59.11 2dnt h GLU 49 Cb 1.21 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 30.35 2dnt h GLU 49 CO 0.72 0.09 0.56 0.37 -2.18 0.00 0.00 179.01 178.57 2dnt h GLN 50 N 0.14 0.84 0.01 1.92 4.15 -1.91 0.35 115.11 120.61 2dnt h GLN 50 Ca 0.75 -0.05 -0.20 0.00 0.77 0.00 0.00 58.65 59.92 2dnt h GLN 50 Cb 1.82 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 29.31 2dnt h GLN 50 CO -0.71 0.56 -0.91 0.45 -1.93 0.00 0.00 178.83 176.28 2dnt h HIS 51 N 0.87 0.23 0.00 3.99 3.86 0.17 -3.35 115.15 120.92 2dnt h HIS 51 Ca 0.47 -0.14 -0.66 0.00 -1.16 0.00 0.00 60.37 58.88 2dnt h HIS 51 Cb 0.51 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.95 2dnt h HIS 51 CO -0.03 0.98 3.25 1.28 0.86 0.00 0.00 177.93 184.27 2dnt n LEU 52 N -3.60 7.06 -4.78 2.43 4.77 0.16 -4.91 117.00 118.12 2dnt n LEU 52 Ca -0.03 -3.98 -0.39 0.00 -0.03 0.00 0.00 56.01 51.58 2dnt n LEU 52 Cb 0.84 -1.52 -0.06 0.00 -2.33 0.00 0.00 43.42 40.35 2dnt n LEU 52 CO 0.48 1.24 0.35 -0.69 -1.33 0.00 0.00 177.39 177.43 2dnt s VAL 53 N 3.07 4.68 0.00 4.08 1.01 -1.25 -3.44 120.40 128.54 2dnt s VAL 53 Ca 0.55 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.93 2dnt s VAL 53 Cb 0.15 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.54 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 2.01 -4.71 -0.22 3.32 3.02 -1.26 -4.77 115.26 112.65 2dnt n ASN 54 Ca -0.08 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.57 2dnt n ASN 54 Cb 0.50 -2.24 0.16 0.00 -0.61 0.00 0.00 39.78 37.59 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 0.33 0.66 -0.32 0.00 5.08 -1.86 -2.97 114.58 115.50 2dnt h GLU 56 Ca 0.00 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2dnt h GLU 56 Cb 1.07 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 30.12 2dnt h GLU 56 CO 0.04 0.43 -0.32 1.49 -1.00 0.00 0.00 179.01 179.65 2dnt h GLU 57 N 0.68 -0.17 -0.10 2.33 4.81 -1.95 1.12 114.58 121.29 2dnt h GLU 57 Ca 0.19 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.46 2dnt h GLU 57 Cb -0.05 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.31 2dnt h GLU 57 CO -0.04 -0.11 -0.47 1.88 -0.73 0.00 0.00 179.01 179.53 2dnt h TYR 58 N -0.17 -1.41 -0.93 0.92 0.05 -1.90 0.46 116.97 113.98 2dnt h TYR 58 Ca 0.05 0.05 0.23 0.00 0.05 0.00 0.00 58.73 59.11 2dnt h TYR 58 Cb 0.31 0.63 -0.12 0.00 1.01 0.00 0.00 36.73 38.56 2dnt h TYR 58 CO -0.75 -0.48 0.47 0.82 -1.05 0.00 0.00 178.16 177.16 2dnt h ILE 59 N -0.53 0.51 -0.25 -2.88 2.04 -1.38 0.74 117.51 115.77 2dnt h ILE 59 Ca 0.02 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 2dnt h ILE 59 Cb 0.60 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 2dnt h ILE 59 CO -0.37 0.09 0.14 0.45 0.00 0.00 0.00 178.15 178.46 2dnt h HIS 60 N 0.48 0.35 -0.40 1.37 3.86 0.34 0.28 115.15 121.42 2dnt h HIS 60 Ca 0.59 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.78 2dnt h HIS 60 Cb 1.10 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 29.44 2dnt h HIS 60 CO -0.09 0.30 0.21 0.22 0.86 0.00 0.00 177.93 179.43 2dnt h ASP 61 N 0.30 0.51 -0.87 2.45 3.58 0.40 -0.39 116.42 122.40 2dnt h ASP 61 Ca 0.09 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2dnt h ASP 61 Cb 0.07 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 40.94 2dnt h ASP 61 CO -0.01 0.47 0.55 0.15 -2.88 0.00 0.00 179.24 177.51 2dnt h PHE 62 N 0.51 1.12 -0.11 0.28 3.57 0.59 0.54 116.94 123.46 2dnt h PHE 62 Ca 0.14 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 2dnt h PHE 62 Cb 0.08 -0.37 -0.00 0.00 2.79 0.00 0.00 35.95 38.44 2dnt h PHE 62 CO -0.02 0.73 0.03 -0.91 -2.23 0.00 0.00 178.31 175.91 2dnt h ASN 63 N 1.19 0.16 -0.03 0.41 2.35 0.05 0.23 115.58 119.94 2dnt h ASN 63 Ca 0.31 -0.21 0.02 0.00 -0.55 0.00 0.00 56.30 55.87 2dnt h ASN 63 Cb -0.09 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 2dnt h ASN 63 CO -0.06 0.33 -0.06 0.03 -1.65 0.00 0.00 177.43 176.01 2dnt h ARG 64 N -0.02 -0.09 0.30 0.81 2.47 -0.62 0.56 114.38 117.79 2dnt h ARG 64 Ca 0.03 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.75 2dnt h ARG 64 Cb 0.23 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.56 2dnt h ARG 64 CO -0.00 -0.06 -0.21 0.00 0.56 0.00 0.00 179.97 180.26 2dnt h ARG 65 N -0.09 -0.48 0.36 0.04 3.08 -0.81 -3.17 114.38 113.31 2dnt h ARG 65 Ca 0.04 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 2dnt h ARG 65 Cb 0.14 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2dnt h ARG 65 CO -0.09 -0.32 -0.33 1.25 -1.07 0.00 0.00 179.97 179.41 2dnt h HIS 66 N -0.50 -0.92 -3.82 3.04 2.76 -0.34 -3.43 115.15 111.94 2dnt h HIS 66 Ca -0.03 0.00 -0.53 0.00 -2.20 0.00 0.00 60.37 57.62 2dnt h HIS 66 Cb 0.43 0.35 0.20 0.00 1.55 0.00 0.00 27.41 29.94 2dnt h HIS 66 CO -0.11 -0.45 -0.10 2.41 -1.30 0.00 0.00 177.93 178.38 2dnt n THR 67 N -4.41 0.79 -3.96 6.26 -1.04 0.20 -4.99 114.28 107.12 2dnt n THR 67 Ca -0.08 -0.17 -0.34 0.00 -2.04 0.00 0.00 64.05 61.41 2dnt n THR 67 Cb 0.31 -0.89 -0.14 0.00 -1.82 0.00 0.00 70.33 67.78 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 -3.92 2.88 0.05 -2.82 2.02 -1.26 -4.81 118.70 110.84 2dnt s GLU 68 Ca 0.65 -0.95 -0.02 0.00 0.02 0.00 0.00 54.97 54.68 2dnt s GLU 68 Cb -0.26 -2.98 -0.03 0.00 0.10 0.00 0.00 34.13 30.96 2dnt s GLU 68 CO 0.59 -0.38 -0.01 0.21 0.02 0.00 0.00 175.26 175.70 2dnt s LYS 69 N 1.34 0.61 -0.71 1.61 2.47 -1.26 -5.09 119.74 118.70 2dnt s LYS 69 Ca 0.01 -1.13 -0.27 0.00 -1.56 0.00 0.00 55.97 53.02 2dnt s LYS 69 Cb -0.16 0.21 0.01 0.00 -1.46 0.00 0.00 37.83 36.43 2dnt s LYS 69 CO -0.05 -0.12 1.50 -0.65 0.16 0.00 0.00 175.35 176.19 2dnt s GLN 70 N -3.67 3.00 -0.30 4.03 -0.21 -1.26 -4.89 119.66 116.36 2dnt s GLN 70 Ca 0.05 0.02 -0.12 0.00 0.02 0.00 0.00 55.36 55.33 2dnt s GLN 70 Cb 0.06 -4.31 0.14 0.00 1.00 0.00 0.00 33.01 29.90 2dnt s GLN 70 CO -0.09 -2.37 0.75 0.21 -2.12 0.00 0.00 175.29 171.66 2dnt s LYS 71 N 6.18 0.51 -0.21 2.91 2.20 -1.26 -5.14 119.74 124.94 2dnt s LYS 71 Ca 0.47 1.24 -0.23 0.00 -0.36 0.00 0.00 55.97 57.09 2dnt s LYS 71 Cb -0.09 0.70 -0.02 0.00 -1.51 0.00 0.00 37.83 36.92 2dnt s LYS 71 CO 0.16 -0.17 0.74 -2.00 -0.36 0.00 0.00 175.35 173.71 2dnt s GLU 72 N 2.67 4.22 -0.03 4.03 2.12 -1.26 -5.04 118.70 125.41 2dnt s GLU 72 Ca -0.05 0.80 -0.18 0.00 0.36 0.00 0.00 54.97 55.90 2dnt s GLU 72 Cb -0.10 -3.60 -0.05 0.00 0.26 0.00 0.00 34.13 30.64 2dnt s GLU 72 CO -0.19 -0.35 0.49 0.45 -0.54 0.00 0.00 175.26 175.13 2dnt s SER 73 N 1.25 6.85 0.05 -1.70 0.15 -1.26 -5.08 113.70 113.96 2dnt s SER 73 Ca 0.33 1.01 0.04 0.00 0.70 0.00 0.00 55.95 58.02 2dnt s SER 73 Cb -0.16 -2.30 -0.04 0.00 -1.71 0.00 0.00 66.02 61.81 2dnt s SER 73 CO 0.10 0.17 -0.04 -0.83 1.20 0.00 0.00 173.24 173.85 2dnt s GLY 74 N -0.38 1.84 -0.65 9.45 0.00 -1.26 -5.06 107.32 111.27 2dnt s GLY 74 Ca 0.27 -1.08 -0.27 0.00 0.00 0.00 0.00 44.72 43.64 2dnt s GLY 74 CO 0.14 -1.00 1.55 2.56 0.00 0.00 0.00 173.10 176.35 2dnt s PRO 75 N -1.89 2.98 -0.37 2.90 0.04 -1.26 -4.94 135.00 132.46 2dnt s PRO 75 Ca 0.21 0.26 0.03 0.00 0.04 0.00 0.00 61.00 61.54 2dnt s PRO 75 Cb -0.11 -4.26 0.11 0.00 0.04 0.00 0.00 34.50 30.28 2dnt s PRO 75 CO 0.13 -2.35 0.11 -1.54 0.04 0.00 0.00 177.00 173.39 2dnt s SER 76 N 5.69 4.43 -0.21 6.66 1.04 -1.26 -5.09 113.70 124.96 2dnt s SER 76 Ca 0.52 -2.22 -0.06 0.00 0.48 0.00 0.00 55.95 54.67 2dnt s SER 76 Cb -0.11 -1.41 -0.03 0.00 0.10 0.00 0.00 66.02 64.58 2dnt s SER 76 CO 0.19 -0.35 0.03 -0.44 0.98 0.00 0.00 173.24 173.65 2dnt s SER 77 N 0.82 5.07 0.00 7.02 0.01 -1.26 -5.28 113.70 120.08 2dnt s SER 77 Ca 0.12 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.24 2dnt s SER 77 Cb -0.20 -1.88 0.00 0.00 0.21 0.00 0.00 66.02 64.15 2dnt s SER 77 CO -0.10 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.23