#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 -7.59 0.09 1.61 7.64 -1.26 -5.04 113.62 109.07 2dnt n SER 2 Ca 0.00 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.06 2dnt n SER 2 Cb 0.00 -4.64 0.00 0.00 -1.01 0.00 0.00 64.21 58.56 2dnt n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dnt n SER 3 N -4.30 -1.57 -1.87 6.43 2.88 -1.26 -5.15 113.62 108.79 2dnt n SER 3 Ca -0.07 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 2dnt n SER 3 Cb 0.65 1.70 0.00 0.00 -0.75 0.00 0.00 64.21 65.82 2dnt n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dnt n GLY 4 N -1.23 -5.11 3.05 0.46 0.00 -1.26 -5.06 105.19 96.04 2dnt n GLY 4 Ca 0.00 -0.39 0.04 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.54 -0.65 -0.09 1.61 0.15 -1.26 -5.17 113.70 106.76 2dnt s SER 5 Ca 0.00 -0.06 -0.31 0.00 0.70 0.00 0.00 55.95 56.28 2dnt s SER 5 Cb 0.00 1.20 0.12 0.00 -1.71 0.00 0.00 66.02 65.63 2dnt s SER 5 CO 0.00 -0.10 1.00 -0.55 1.20 0.00 0.00 173.24 174.79 2dnt s SER 6 N 2.59 -0.30 0.00 5.45 0.15 -1.26 -5.15 113.70 115.18 2dnt s SER 6 Ca 0.21 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.95 2dnt s SER 6 Cb -0.02 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 2dnt s SER 6 CO -0.20 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 174.40 2dnt n GLY 7 N 0.02 1.84 3.22 9.45 0.00 -1.26 -5.17 105.19 113.29 2dnt n GLY 7 Ca -0.07 0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.08 2dnt n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dnt s MET 8 N -0.21 0.39 0.07 1.61 -1.94 -1.26 -5.17 119.30 112.78 2dnt s MET 8 Ca 0.00 0.74 -0.26 0.00 -1.71 0.00 0.00 55.69 54.46 2dnt s MET 8 Cb 0.00 0.42 0.09 0.00 2.01 0.00 0.00 34.83 37.35 2dnt s MET 8 CO 0.00 -0.36 0.76 0.00 -0.01 0.00 0.00 175.02 175.41 2dnt s ALA 9 N 2.85 -1.73 0.05 3.03 0.00 -1.26 -5.06 121.76 119.64 2dnt s ALA 9 Ca 0.07 0.79 -0.23 0.00 0.00 0.00 0.00 51.96 52.60 2dnt s ALA 9 Cb -0.12 0.61 -0.15 0.00 0.00 0.00 0.00 23.12 23.47 2dnt s ALA 9 CO -0.16 -0.72 1.51 0.77 0.00 0.00 0.00 175.76 177.16 2dnt h SER 10 N 2.01 0.11 -2.10 0.00 0.02 -2.10 -3.46 113.55 108.04 2dnt h SER 10 Ca -0.27 -0.26 0.20 0.00 -0.84 0.00 0.00 61.79 60.62 2dnt h SER 10 Cb 1.27 -0.03 -0.33 0.00 0.14 0.00 0.00 62.40 63.45 2dnt h SER 10 CO 0.34 0.34 0.79 -0.70 -1.14 0.00 0.00 176.83 176.46 2dnt s GLU 11 N -5.17 0.06 0.35 3.45 2.12 -1.26 -5.18 118.70 113.07 2dnt s GLU 11 Ca -0.14 0.09 0.07 0.00 0.36 0.00 0.00 54.97 55.35 2dnt s GLU 11 Cb 0.05 0.02 -0.02 0.00 0.26 0.00 0.00 34.13 34.44 2dnt s GLU 11 CO 0.69 -0.01 0.36 -1.21 -0.54 0.00 0.00 175.26 174.54 2dnt s GLU 12 N 0.69 2.78 0.07 4.30 2.02 -1.26 -5.04 118.70 122.25 2dnt s GLU 12 Ca -0.03 -1.27 -0.26 0.00 0.02 0.00 0.00 54.97 53.43 2dnt s GLU 12 Cb -0.03 -2.55 -0.12 0.00 0.10 0.00 0.00 34.13 31.53 2dnt s GLU 12 CO -0.12 0.03 1.40 1.37 0.02 0.00 0.00 175.26 177.96 2dnt h LEU 13 N 1.11 -1.06 -7.00 1.80 -0.00 -2.05 -3.45 115.31 104.66 2dnt h LEU 13 Ca -0.44 0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.53 2dnt h LEU 13 Cb 1.26 0.36 -0.22 0.00 -0.00 0.00 0.00 40.66 42.06 2dnt h LEU 13 CO 0.56 -0.47 0.11 -0.31 -0.00 0.00 0.00 178.44 178.34 2dnt s TYR 14 N -5.05 -0.89 -0.06 0.17 2.02 -1.26 -5.04 117.35 107.25 2dnt s TYR 14 Ca -0.13 1.94 0.03 0.00 -0.37 0.00 0.00 57.07 58.55 2dnt s TYR 14 Cb 0.03 0.45 -0.02 0.00 -0.40 0.00 0.00 41.96 42.02 2dnt s TYR 14 CO 0.44 -0.44 -0.14 -1.83 -1.57 0.00 0.00 175.55 172.01 2dnt s GLU 15 N 1.01 2.59 0.01 -0.62 -1.05 -1.26 -5.07 118.70 114.32 2dnt s GLU 15 Ca -0.05 -0.70 -0.32 0.00 -0.15 0.00 0.00 54.97 53.75 2dnt s GLU 15 Cb -0.05 -2.40 -0.11 0.00 -0.44 0.00 0.00 34.13 31.14 2dnt s GLU 15 CO -0.10 0.58 1.90 0.28 0.95 0.00 0.00 175.26 178.86 2dnt n VAL 16 N 2.45 0.60 -0.07 1.83 0.31 -1.26 -4.87 118.33 117.31 2dnt n VAL 16 Ca -0.17 -0.11 -0.14 0.00 -0.01 0.00 0.00 64.34 63.92 2dnt n VAL 16 Cb 0.52 -2.08 -0.12 0.00 -0.91 0.00 0.00 33.84 31.25 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 9.51 0.00 0.00 5.55 4.81 -1.95 -3.50 114.58 129.00 2dnt h GLU 17 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2dnt h GLU 17 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2dnt h GLU 17 CO 0.94 0.92 0.00 2.89 -0.73 0.00 0.00 179.01 183.03 2dnt n ARG 18 N -4.61 0.00 -3.56 1.92 1.85 -1.26 -5.01 116.66 105.99 2dnt n ARG 18 Ca -0.11 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.38 2dnt n ARG 18 Cb 0.46 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.79 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 5.31 -0.15 8.89 -1.09 -1.26 -2.90 121.20 128.00 2dnt s ILE 19 Ca 0.00 0.47 0.14 0.00 -2.23 0.00 0.00 60.65 59.03 2dnt s ILE 19 Cb 0.00 -3.61 -0.20 0.00 -1.58 0.00 0.00 42.46 37.08 2dnt s ILE 19 CO 0.00 0.37 0.36 1.33 -1.23 0.00 0.00 174.94 175.77 2dnt n VAL 20 N 3.80 0.00 -3.79 2.92 0.24 0.23 -4.95 118.33 116.78 2dnt n VAL 20 Ca -0.12 -0.29 -0.04 0.00 -2.04 0.00 0.00 64.34 61.85 2dnt n VAL 20 Cb 0.52 0.36 -0.00 0.00 -1.47 0.00 0.00 33.84 33.24 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 -3.30 -0.12 -0.28 -1.34 -1.08 -1.17 -4.97 116.67 104.41 2dnt s ASP 21 Ca -0.03 -0.51 -0.23 0.00 -0.52 0.00 0.00 52.55 51.26 2dnt s ASP 21 Cb 0.09 0.51 0.09 0.00 -1.46 0.00 0.00 42.92 42.15 2dnt s ASP 21 CO 0.57 -0.96 0.80 -0.75 0.52 0.00 0.00 175.17 175.34 2dnt s LYS 22 N -2.98 0.72 0.29 4.34 2.20 -1.26 0.19 119.74 123.25 2dnt s LYS 22 Ca 0.15 0.92 -0.14 0.00 -0.36 0.00 0.00 55.97 56.54 2dnt s LYS 22 Cb -0.02 0.32 0.01 0.00 -1.51 0.00 0.00 37.83 36.63 2dnt s LYS 22 CO 0.03 -0.10 0.59 -0.98 -0.36 0.00 0.00 175.35 174.54 2dnt s ARG 23 N 0.57 1.78 0.10 4.03 1.70 0.28 -4.96 118.95 122.44 2dnt s ARG 23 Ca -0.01 -1.29 0.05 0.00 -0.47 0.00 0.00 55.73 54.01 2dnt s ARG 23 Cb -0.05 0.53 -0.04 0.00 -0.57 0.00 0.00 34.95 34.82 2dnt s ARG 23 CO -0.04 -0.78 -0.01 0.21 -1.08 0.00 0.00 175.30 173.60 2dnt s LYS 24 N -3.57 2.50 0.48 3.89 2.20 -1.26 0.17 119.74 124.15 2dnt s LYS 24 Ca 0.20 -0.88 -0.07 0.00 -0.36 0.00 0.00 55.97 54.86 2dnt s LYS 24 Cb -0.03 -2.51 -0.04 0.00 -1.51 0.00 0.00 37.83 33.75 2dnt s LYS 24 CO 0.11 0.53 0.80 -0.80 -0.36 0.00 0.00 175.35 175.63 2dnt s ASN 25 N -2.37 6.31 0.47 1.43 0.01 0.49 -4.87 114.94 116.42 2dnt s ASN 25 Ca 0.26 1.01 0.21 0.00 -0.71 0.00 0.00 52.86 53.63 2dnt s ASN 25 Cb -0.11 -2.28 1.23 0.00 0.41 0.00 0.00 41.25 40.50 2dnt s ASN 25 CO 0.18 -0.57 1.93 0.07 -1.51 0.00 0.00 177.10 177.20 2dnt h LYS 26 N 0.36 0.22 0.00 -0.60 5.09 -2.00 0.92 116.57 120.56 2dnt h LYS 26 Ca -0.47 -0.01 -0.10 0.00 0.09 0.00 0.00 60.65 60.16 2dnt h LYS 26 Cb 1.20 -0.05 -0.01 0.00 0.10 0.00 0.00 32.23 33.47 2dnt h LYS 26 CO 0.62 0.14 -0.49 0.87 -2.09 0.00 0.00 179.45 178.50 2dnt h LYS 27 N 0.22 0.00 0.00 0.07 1.57 -2.05 -3.46 116.57 112.92 2dnt h LYS 27 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 2dnt h LYS 27 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2dnt h LYS 27 CO -0.08 0.49 0.00 0.41 -0.57 0.00 0.00 179.45 179.71 2dnt n GLY 28 N -0.02 1.72 3.85 3.86 0.00 0.32 -5.11 105.19 109.81 2dnt n GLY 28 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.10 3.76 0.12 1.61 -0.14 -1.23 -4.74 119.74 119.02 2dnt s LYS 29 Ca 0.00 0.23 -0.30 0.00 -1.36 0.00 0.00 55.97 54.55 2dnt s LYS 29 Cb 0.00 -3.20 -0.06 0.00 -1.68 0.00 0.00 37.83 32.89 2dnt s LYS 29 CO 0.00 0.71 0.95 0.99 -0.76 0.00 0.00 175.35 177.24 2dnt s THR 30 N -1.08 4.47 -0.07 2.17 2.01 -1.26 0.19 115.64 122.05 2dnt s THR 30 Ca 0.22 2.05 0.00 0.00 0.31 0.00 0.00 61.69 64.27 2dnt s THR 30 Cb -0.15 -4.31 0.02 0.00 0.01 0.00 0.00 72.50 68.07 2dnt s THR 30 CO 0.11 0.34 -0.06 -1.61 -0.69 0.00 0.00 174.62 172.71 2dnt s GLU 31 N -0.14 1.15 -0.20 4.92 2.02 0.44 -3.45 118.70 123.44 2dnt s GLU 31 Ca 0.46 -0.17 -0.04 0.00 0.02 0.00 0.00 54.97 55.24 2dnt s GLU 31 Cb -0.23 -1.18 -0.02 0.00 0.10 0.00 0.00 34.13 32.80 2dnt s GLU 31 CO 0.30 -0.15 -0.04 0.71 0.02 0.00 0.00 175.26 176.10 2dnt s TYR 32 N 1.26 2.97 -0.27 1.61 2.02 0.19 0.99 117.35 126.12 2dnt s TYR 32 Ca -0.05 -0.67 -0.29 0.00 -0.37 0.00 0.00 57.07 55.69 2dnt s TYR 32 Cb -0.14 -2.05 -0.01 0.00 -0.40 0.00 0.00 41.96 39.36 2dnt s TYR 32 CO -0.02 -0.35 1.43 -1.17 -1.57 0.00 0.00 175.55 173.86 2dnt s LEU 33 N 1.08 3.87 0.03 -1.29 2.96 0.51 -0.99 118.68 124.85 2dnt s LEU 33 Ca 0.01 1.34 0.06 0.00 -0.22 0.00 0.00 54.13 55.33 2dnt s LEU 33 Cb -0.15 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.99 2dnt s LEU 33 CO 0.00 -1.16 -0.18 0.54 -1.32 0.00 0.00 176.35 174.23 2dnt s VAL 34 N 4.74 1.44 0.66 1.68 0.11 -0.79 0.75 120.40 128.99 2dnt s VAL 34 Ca 0.62 -1.06 -0.04 0.00 -2.93 0.00 0.00 61.98 58.58 2dnt s VAL 34 Cb -0.20 -1.26 0.06 0.00 -1.53 0.00 0.00 36.38 33.46 2dnt s VAL 34 CO 0.26 0.17 0.94 -0.13 -3.33 0.00 0.00 175.10 173.01 2dnt s ARG 35 N -1.03 2.24 0.23 1.54 0.52 -1.14 -3.16 118.95 118.15 2dnt s ARG 35 Ca 0.06 -0.51 -0.22 0.00 -0.52 0.00 0.00 55.73 54.54 2dnt s ARG 35 Cb -0.08 -2.28 0.04 0.00 0.52 0.00 0.00 34.95 33.14 2dnt s ARG 35 CO 0.01 -1.10 0.68 -1.58 0.02 0.00 0.00 175.30 173.33 2dnt s TRP 36 N -3.09 -0.32 0.32 -0.53 0.52 -1.26 -3.69 118.94 110.89 2dnt s TRP 36 Ca 0.60 -0.04 -0.28 0.00 0.02 0.00 0.00 56.10 56.40 2dnt s TRP 36 Cb -0.10 0.65 -0.09 0.00 -1.15 0.00 0.00 33.47 32.78 2dnt s TRP 36 CO 0.43 -1.08 1.10 0.15 0.02 0.00 0.00 176.95 177.57 2dnt s LYS 37 N -3.85 4.46 0.00 4.98 1.02 -1.26 -3.23 119.74 121.86 2dnt s LYS 37 Ca 0.07 1.76 0.00 0.00 0.02 0.00 0.00 55.97 57.82 2dnt s LYS 37 Cb -0.04 -2.98 0.00 0.00 -0.52 0.00 0.00 37.83 34.29 2dnt s LYS 37 CO -0.01 0.06 0.00 0.41 -0.92 0.00 0.00 175.35 174.89 2dnt n GLY 38 N 0.93 2.18 3.62 -3.33 0.00 -1.26 -4.97 105.19 102.36 2dnt n GLY 38 Ca 0.01 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.47 2.98 0.18 1.61 2.02 -1.20 -5.02 117.35 117.45 2dnt s TYR 39 Ca 0.00 0.95 -0.03 0.00 -0.37 0.00 0.00 57.07 57.63 2dnt s TYR 39 Cb 0.00 -4.06 0.04 0.00 -0.40 0.00 0.00 41.96 37.54 2dnt s TYR 39 CO 0.00 -1.02 0.09 -0.25 -1.57 0.00 0.00 175.55 172.81 2dnt n ASP 40 N 7.35 -1.79 -0.03 2.29 9.92 -1.26 -4.49 116.55 128.53 2dnt n ASP 40 Ca 0.12 -0.09 -0.09 0.00 -0.53 0.00 0.00 54.79 54.20 2dnt n ASP 40 Cb 0.48 -0.12 0.07 0.00 -0.64 0.00 0.00 41.12 40.91 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 -1.95 0.70 -0.21 -2.24 0.87 -1.96 -2.47 113.55 106.29 2dnt h SER 41 Ca -0.04 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 2dnt h SER 41 Cb 0.14 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2dnt h SER 41 CO 0.03 1.02 0.00 -1.84 -0.53 0.00 0.00 176.83 175.51 2dnt n GLU 42 N -4.03 1.94 -0.00 2.24 0.28 -1.26 -3.57 120.64 116.24 2dnt n GLU 42 Ca -0.02 -1.42 0.10 0.00 -0.16 0.00 0.00 57.16 55.66 2dnt n GLU 42 Cb 0.53 -1.43 -0.13 0.00 1.43 0.00 0.00 31.44 31.84 2dnt n GLU 42 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2dnt n ASP 43 N 0.65 0.64 -4.26 -1.84 2.03 -0.97 -4.99 116.55 107.81 2dnt n ASP 43 Ca 0.17 -0.55 -0.37 0.00 0.52 0.00 0.00 54.79 54.57 2dnt n ASP 43 Cb 0.41 1.42 0.05 0.00 -0.72 0.00 0.00 41.12 42.28 2dnt n ASP 43 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2dnt n ASP 44 N -1.80 -3.43 -4.61 1.67 8.00 -0.98 -4.76 116.55 110.63 2dnt n ASP 44 Ca 0.00 0.46 -0.29 0.00 0.71 0.00 0.00 54.79 55.67 2dnt n ASP 44 Cb 0.41 -0.98 -0.09 0.00 -0.02 0.00 0.00 41.12 40.44 2dnt n ASP 44 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2dnt s THR 45 N -2.01 1.45 -0.09 -3.53 -1.32 -1.19 -5.02 115.64 103.93 2dnt s THR 45 Ca 0.54 -2.00 0.02 0.00 -1.21 0.00 0.00 61.69 59.04 2dnt s THR 45 Cb -0.32 -2.58 -0.02 0.00 -1.51 0.00 0.00 72.50 68.07 2dnt s THR 45 CO 0.69 0.00 -0.15 0.26 -2.21 0.00 0.00 174.62 173.21 2dnt s TRP 46 N -2.88 2.72 -0.02 9.09 0.52 -1.26 -1.89 118.94 125.21 2dnt s TRP 46 Ca 0.22 -0.50 0.05 0.00 0.02 0.00 0.00 56.10 55.89 2dnt s TRP 46 Cb 0.06 -1.74 -0.01 0.00 -1.15 0.00 0.00 33.47 30.63 2dnt s TRP 46 CO 0.11 -0.08 -0.17 -1.21 0.02 0.00 0.00 176.95 175.62 2dnt s GLU 47 N -0.07 1.46 0.27 4.98 0.41 -0.16 -4.87 118.70 120.72 2dnt s GLU 47 Ca -0.03 -0.61 -0.30 0.00 -0.41 0.00 0.00 54.97 53.63 2dnt s GLU 47 Cb -0.14 -1.38 -0.09 0.00 -1.78 0.00 0.00 34.13 30.74 2dnt s GLU 47 CO 0.04 0.34 1.08 -1.25 -0.49 0.00 0.00 175.26 174.98 2dnt s PRO 48 N -0.30 4.66 0.20 0.39 0.04 -1.26 0.56 135.00 139.30 2dnt s PRO 48 Ca 0.04 1.76 -0.18 0.00 0.04 0.00 0.00 61.00 62.66 2dnt s PRO 48 Cb -0.08 -3.20 0.17 0.00 0.04 0.00 0.00 34.50 31.42 2dnt s PRO 48 CO -0.00 0.24 1.59 1.49 0.04 0.00 0.00 177.00 180.37 2dnt h GLU 49 N 3.93 -0.11 -0.32 4.56 4.81 -1.92 1.54 114.58 127.06 2dnt h GLU 49 Ca -0.46 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 58.87 2dnt h GLU 49 Cb 1.21 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 2dnt h GLU 49 CO 0.67 -0.08 0.51 0.37 -0.73 0.00 0.00 179.01 179.75 2dnt h GLN 50 N -0.12 0.00 0.00 1.92 4.15 -1.92 1.18 115.11 120.33 2dnt h GLN 50 Ca 0.26 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.49 2dnt h GLN 50 Cb 0.54 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.20 2dnt h GLN 50 CO -0.69 0.00 -1.62 0.72 -1.93 0.00 0.00 178.83 175.31 2dnt n HIS 51 N -3.35 0.75 -1.30 3.99 8.25 0.49 -4.27 115.22 119.78 2dnt n HIS 51 Ca 0.05 0.25 -0.24 0.00 -0.26 0.00 0.00 57.72 57.52 2dnt n HIS 51 Cb 0.64 -1.02 -0.10 0.00 1.12 0.00 0.00 29.99 30.63 2dnt n HIS 51 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2dnt n LEU 52 N -2.81 6.55 -4.77 2.41 4.77 0.41 -4.93 117.00 118.62 2dnt n LEU 52 Ca -0.13 -3.83 -0.38 0.00 -0.03 0.00 0.00 56.01 51.65 2dnt n LEU 52 Cb 0.87 -1.39 -0.01 0.00 -2.33 0.00 0.00 43.42 40.55 2dnt n LEU 52 CO 0.43 1.82 0.84 0.68 -1.33 0.00 0.00 177.39 179.83 2dnt s VAL 53 N 0.17 3.12 -1.22 4.08 -7.23 -1.24 -2.15 120.40 115.93 2dnt s VAL 53 Ca 0.64 0.89 0.00 0.00 -1.81 0.00 0.00 61.98 61.70 2dnt s VAL 53 Cb 0.29 -3.47 0.00 0.00 0.56 0.00 0.00 36.38 33.76 2dnt s VAL 53 CO -0.08 0.04 0.00 0.59 -0.31 0.00 0.00 175.10 175.34 2dnt n ASN 54 N -0.21 -5.63 0.00 4.85 3.02 -1.26 -4.70 115.26 111.33 2dnt n ASN 54 Ca 0.06 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.89 2dnt n ASN 54 Cb 0.47 -4.14 0.00 0.00 -0.61 0.00 0.00 39.78 35.50 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 0.42 -0.07 0.00 3.07 -1.83 -2.12 114.58 114.06 2dnt h GLU 56 Ca 0.00 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 58.84 2dnt h GLU 56 Cb 0.30 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 2dnt h GLU 56 CO 0.00 0.28 -0.08 1.49 -1.40 0.00 0.00 179.01 179.30 2dnt h GLU 57 N 0.44 -0.04 -0.60 2.33 4.57 -1.92 0.94 114.58 120.29 2dnt h GLU 57 Ca 0.61 0.00 0.10 0.00 -1.18 0.00 0.00 59.36 58.89 2dnt h GLU 57 Cb 1.45 0.01 -0.11 0.00 -0.16 0.00 0.00 28.75 29.94 2dnt h GLU 57 CO -0.34 -0.03 -0.38 1.88 -1.18 0.00 0.00 179.01 178.96 2dnt h TYR 58 N -0.05 -1.09 -0.07 0.92 0.05 -1.76 0.15 116.97 115.13 2dnt h TYR 58 Ca 0.01 0.08 0.04 0.00 0.05 0.00 0.00 58.73 58.91 2dnt h TYR 58 Cb 0.08 0.56 -0.06 0.00 1.01 0.00 0.00 36.73 38.32 2dnt h TYR 58 CO -0.67 -0.40 -0.41 0.82 -1.05 0.00 0.00 178.16 176.45 2dnt h ILE 59 N -0.19 0.16 -0.59 -2.88 2.04 -1.21 0.78 117.51 115.63 2dnt h ILE 59 Ca 0.21 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.18 2dnt h ILE 59 Cb 0.56 0.16 -0.12 0.00 -0.74 0.00 0.00 36.82 36.69 2dnt h ILE 59 CO -0.70 0.00 -0.28 0.45 0.00 0.00 0.00 178.15 177.62 2dnt h HIS 60 N -0.52 -0.74 0.14 1.37 3.86 0.25 1.38 115.15 120.89 2dnt h HIS 60 Ca 0.06 0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 2dnt h HIS 60 Cb 0.63 0.41 -0.01 0.00 1.06 0.00 0.00 27.41 29.50 2dnt h HIS 60 CO -0.45 -0.35 -0.15 0.22 0.86 0.00 0.00 177.93 178.06 2dnt h ASP 61 N -0.12 -0.39 -0.94 2.45 1.82 0.35 0.87 116.42 120.46 2dnt h ASP 61 Ca 0.25 0.04 0.11 0.00 -0.39 0.00 0.00 57.03 57.04 2dnt h ASP 61 Cb 0.53 0.14 -0.07 0.00 0.68 0.00 0.00 39.33 40.61 2dnt h ASP 61 CO -0.67 -0.22 0.60 0.15 -1.61 0.00 0.00 179.24 177.49 2dnt h PHE 62 N -0.32 1.03 -0.21 0.28 3.57 0.27 -1.09 116.94 120.47 2dnt h PHE 62 Ca 0.01 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 2dnt h PHE 62 Cb 0.31 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 2dnt h PHE 62 CO -0.13 0.45 0.06 -0.91 -2.23 0.00 0.00 178.31 175.55 2dnt h ASN 63 N 0.93 0.31 -0.56 0.41 2.35 0.25 -2.55 115.58 116.72 2dnt h ASN 63 Ca 0.45 -0.21 0.11 0.00 -0.55 0.00 0.00 56.30 56.09 2dnt h ASN 63 Cb 0.44 -0.08 -0.08 0.00 0.05 0.00 0.00 38.32 38.65 2dnt h ASN 63 CO -0.21 0.43 0.09 0.03 -1.65 0.00 0.00 177.43 176.13 2dnt h ARG 64 N 0.16 0.21 0.17 0.81 2.47 0.37 0.75 114.38 119.33 2dnt h ARG 64 Ca 0.07 -0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.79 2dnt h ARG 64 Cb 0.24 -0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 28.47 2dnt h ARG 64 CO -0.00 0.14 -0.40 0.00 0.56 0.00 0.00 179.97 180.27 2dnt h ARG 65 N 0.22 -0.65 0.68 0.04 2.47 -1.10 -3.12 114.38 112.92 2dnt h ARG 65 Ca 0.29 0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 59.02 2dnt h ARG 65 Cb 0.43 0.15 0.01 0.00 -1.65 0.00 0.00 29.97 28.91 2dnt h ARG 65 CO -0.40 -0.43 -0.33 1.25 0.56 0.00 0.00 179.97 180.62 2dnt h HIS 66 N -0.67 -0.84 -2.87 3.04 2.76 -0.96 -3.44 115.15 112.17 2dnt h HIS 66 Ca 0.01 -0.02 -0.58 0.00 -2.20 0.00 0.00 60.37 57.59 2dnt h HIS 66 Cb 0.68 0.28 0.18 0.00 1.55 0.00 0.00 27.41 30.10 2dnt h HIS 66 CO -0.33 -0.52 -0.57 2.41 -1.30 0.00 0.00 177.93 177.62 2dnt n THR 67 N -4.47 1.67 -2.93 6.26 -1.04 0.26 -4.88 114.28 109.14 2dnt n THR 67 Ca -0.11 -0.46 -0.42 0.00 -2.04 0.00 0.00 64.05 61.01 2dnt n THR 67 Cb 0.36 -0.57 -0.05 0.00 -1.82 0.00 0.00 70.33 68.24 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 -2.17 3.77 0.16 -2.82 2.02 -1.26 -4.81 118.70 113.59 2dnt s GLU 68 Ca 0.65 0.35 0.04 0.00 0.02 0.00 0.00 54.97 56.02 2dnt s GLU 68 Cb -0.41 -3.81 -0.05 0.00 0.10 0.00 0.00 34.13 29.97 2dnt s GLU 68 CO 0.59 -0.86 -0.06 0.21 0.02 0.00 0.00 175.26 175.15 2dnt s LYS 69 N 3.15 1.10 0.15 1.61 2.36 -1.26 -5.13 119.74 121.72 2dnt s LYS 69 Ca 0.32 -1.50 -0.30 0.00 -2.55 0.00 0.00 55.97 51.94 2dnt s LYS 69 Cb -0.13 -0.53 -0.07 0.00 -1.05 0.00 0.00 37.83 36.06 2dnt s LYS 69 CO 0.17 -0.00 1.06 -0.65 1.55 0.00 0.00 175.35 177.48 2dnt s GLN 70 N -3.81 4.62 -0.50 4.03 -1.52 -1.26 -4.11 119.66 117.11 2dnt s GLN 70 Ca 0.20 1.64 -0.06 0.00 -1.95 0.00 0.00 55.36 55.19 2dnt s GLN 70 Cb 0.04 -3.31 0.01 0.00 -0.22 0.00 0.00 33.01 29.52 2dnt s GLN 70 CO 0.02 0.10 0.54 1.17 -0.25 0.00 0.00 175.29 176.87 2dnt n LYS 71 N 2.61 -1.46 -3.58 2.91 0.00 -1.26 -5.06 118.16 112.32 2dnt n LYS 71 Ca 0.03 1.54 -0.16 0.00 0.00 0.00 0.00 58.31 59.73 2dnt n LYS 71 Cb 0.47 -4.98 -0.06 0.00 0.00 0.00 0.00 35.03 30.46 2dnt n LYS 71 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2dnt s GLU 72 N -2.71 0.99 -0.26 1.64 2.56 -1.26 -5.17 118.70 114.48 2dnt s GLU 72 Ca 0.09 -0.01 -0.32 0.00 0.00 0.00 0.00 54.97 54.73 2dnt s GLU 72 Cb -0.02 0.46 0.17 0.00 2.00 0.00 0.00 34.13 36.74 2dnt s GLU 72 CO 0.62 -0.32 1.31 -1.54 -0.56 0.00 0.00 175.26 174.77 2dnt s SER 73 N -1.52 -0.07 0.14 -1.70 1.04 -1.26 -5.03 113.70 105.30 2dnt s SER 73 Ca -0.09 0.06 0.09 0.00 0.48 0.00 0.00 55.95 56.48 2dnt s SER 73 Cb -0.01 0.06 -0.04 0.00 0.10 0.00 0.00 66.02 66.13 2dnt s SER 73 CO 0.04 -0.08 -0.21 -0.83 0.98 0.00 0.00 173.24 173.15 2dnt s GLY 74 N -1.37 1.37 -0.04 7.32 0.00 -1.26 -5.11 107.32 108.23 2dnt s GLY 74 Ca 0.09 -1.40 -0.30 0.00 0.00 0.00 0.00 44.72 43.11 2dnt s GLY 74 CO -0.06 -1.42 1.21 2.56 0.00 0.00 0.00 173.10 175.40 2dnt s PRO 75 N -2.34 4.36 0.19 2.90 0.04 -1.26 -5.03 135.00 133.85 2dnt s PRO 75 Ca 0.12 1.70 0.04 0.00 0.04 0.00 0.00 61.00 62.91 2dnt s PRO 75 Cb -0.08 -3.53 -0.03 0.00 0.04 0.00 0.00 34.50 30.89 2dnt s PRO 75 CO 0.06 -0.43 0.26 -1.54 0.04 0.00 0.00 177.00 175.39 2dnt s SER 76 N 1.45 6.06 -0.40 6.66 1.04 -1.26 -5.08 113.70 122.18 2dnt s SER 76 Ca 0.57 0.03 -0.06 0.00 0.48 0.00 0.00 55.95 56.98 2dnt s SER 76 Cb -0.26 -1.74 0.09 0.00 0.10 0.00 0.00 66.02 64.21 2dnt s SER 76 CO 0.23 0.02 0.20 -0.55 0.98 0.00 0.00 173.24 174.12 2dnt s SER 77 N -3.45 5.37 0.00 7.02 0.15 -1.26 -5.36 113.70 116.17 2dnt s SER 77 Ca 0.33 -1.67 0.00 0.00 0.70 0.00 0.00 55.95 55.31 2dnt s SER 77 Cb -0.10 -1.88 0.00 0.00 -1.71 0.00 0.00 66.02 62.33 2dnt s SER 77 CO 0.27 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.82