#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 -0.53 -0.05 1.61 1.04 -1.26 -5.03 113.70 109.48 2dnt s SER 2 Ca 0.00 1.00 -0.00 0.00 0.48 0.00 0.00 55.95 57.42 2dnt s SER 2 Cb 0.00 0.99 0.00 0.00 0.10 0.00 0.00 66.02 67.11 2dnt s SER 2 CO 0.00 -0.18 0.01 -0.24 0.98 0.00 0.00 173.24 173.81 2dnt n SER 3 N 3.06 -6.74 -1.24 7.02 2.88 -1.26 -5.02 113.62 112.32 2dnt n SER 3 Ca -0.15 0.67 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 2dnt n SER 3 Cb 0.57 -2.26 0.00 0.00 -0.75 0.00 0.00 64.21 61.76 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 1.39 4.47 2.73 0.46 0.00 -1.26 -5.14 105.19 107.84 2dnt n GLY 4 Ca -0.01 -1.89 0.01 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.69 -0.26 -0.05 1.61 1.04 -1.26 -5.16 113.70 108.93 2dnt s SER 5 Ca 0.00 -0.18 0.02 0.00 0.48 0.00 0.00 55.95 56.27 2dnt s SER 5 Cb 0.00 0.34 0.02 0.00 0.10 0.00 0.00 66.02 66.47 2dnt s SER 5 CO 0.00 -0.02 -0.08 -0.55 0.98 0.00 0.00 173.24 173.57 2dnt s SER 6 N 1.73 1.25 -0.43 7.02 0.15 -1.26 -5.06 113.70 117.11 2dnt s SER 6 Ca 0.17 -0.20 0.01 0.00 0.70 0.00 0.00 55.95 56.63 2dnt s SER 6 Cb 0.06 -0.56 0.22 0.00 -1.71 0.00 0.00 66.02 64.03 2dnt s SER 6 CO -0.14 -0.00 0.96 0.61 1.20 0.00 0.00 173.24 175.87 2dnt n GLY 7 N 3.83 -1.01 3.42 9.45 0.00 -1.26 -5.04 105.19 114.58 2dnt n GLY 7 Ca -0.23 0.75 -0.21 0.00 0.00 0.00 0.00 46.02 46.33 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 0.74 1.53 0.00 1.61 -1.94 -1.26 -4.83 119.30 115.16 2dnt s MET 8 Ca 0.28 -1.76 0.00 0.00 -1.71 0.00 0.00 55.69 52.50 2dnt s MET 8 Cb 0.12 -1.21 0.00 0.00 2.01 0.00 0.00 34.83 35.75 2dnt s MET 8 CO -0.11 0.08 0.00 0.00 -0.01 0.00 0.00 175.02 174.98 2dnt n ALA 9 N -0.56 0.00 -1.85 3.03 0.00 -1.26 -4.87 120.51 115.00 2dnt n ALA 9 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.97 2dnt n ALA 9 Cb 0.63 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.05 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 0.00 6.93 -0.40 0.00 0.01 -1.26 -4.99 113.70 113.98 2dnt s SER 10 Ca 0.00 2.49 0.03 0.00 1.31 0.00 0.00 55.95 59.78 2dnt s SER 10 Cb 0.00 -2.63 0.16 0.00 0.21 0.00 0.00 66.02 63.76 2dnt s SER 10 CO 0.00 -0.44 0.31 -1.61 0.41 0.00 0.00 173.24 171.91 2dnt s GLU 11 N -1.10 0.86 0.96 12.44 0.41 -1.26 -5.05 118.70 125.96 2dnt s GLU 11 Ca 0.51 -1.95 -0.12 0.00 -0.41 0.00 0.00 54.97 53.00 2dnt s GLU 11 Cb -0.37 -1.45 0.12 0.00 -1.78 0.00 0.00 34.13 30.65 2dnt s GLU 11 CO 0.45 -1.34 0.83 0.39 -0.49 0.00 0.00 175.26 175.10 2dnt n GLU 12 N 3.11 -0.61 0.12 1.61 4.71 -1.26 -4.91 120.64 123.42 2dnt n GLU 12 Ca 0.25 -0.12 -0.13 0.00 -0.01 0.00 0.00 57.16 57.15 2dnt n GLU 12 Cb 0.45 -2.15 -0.06 0.00 -1.01 0.00 0.00 31.44 28.67 2dnt n GLU 12 CO 0.00 0.00 0.00 1.37 0.09 0.00 0.00 177.13 178.59 2dnt h LEU 13 N -1.86 -0.50 0.00 -4.62 -0.00 -2.00 -3.46 115.31 102.87 2dnt h LEU 13 Ca -0.45 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.48 2dnt h LEU 13 Cb 1.28 0.18 0.00 0.00 -0.00 0.00 0.00 40.66 42.13 2dnt h LEU 13 CO 0.39 -0.27 0.00 -1.22 -0.00 0.00 0.00 178.44 177.34 2dnt n TYR 14 N -5.31 -0.14 -3.82 0.17 4.02 -1.26 -5.14 117.16 105.68 2dnt n TYR 14 Ca -0.07 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.46 2dnt n TYR 14 Cb 0.23 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.47 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 -0.99 3.91 0.02 -0.72 2.12 -1.26 -5.04 118.70 116.73 2dnt s GLU 15 Ca 0.00 -0.21 -0.30 0.00 0.36 0.00 0.00 54.97 54.82 2dnt s GLU 15 Cb 0.00 -3.32 -0.07 0.00 0.26 0.00 0.00 34.13 31.00 2dnt s GLU 15 CO 0.00 0.45 1.73 0.08 -0.54 0.00 0.00 175.26 176.98 2dnt s VAL 16 N -0.09 3.23 -0.16 3.70 1.01 -1.26 -4.80 120.40 122.04 2dnt s VAL 16 Ca 0.10 0.46 -0.24 0.00 0.00 0.00 0.00 61.98 62.29 2dnt s VAL 16 Cb -0.11 -3.30 -0.21 0.00 0.00 0.00 0.00 36.38 32.76 2dnt s VAL 16 CO 0.00 -0.03 0.52 -0.08 0.00 0.00 0.00 175.10 175.51 2dnt h GLU 17 N 9.30 0.00 0.00 2.72 4.81 -1.95 -3.50 114.58 125.96 2dnt h GLU 17 Ca -0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2dnt h GLU 17 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2dnt h GLU 17 CO 0.94 0.90 0.00 2.89 -0.73 0.00 0.00 179.01 183.01 2dnt n ARG 18 N -4.57 0.00 -3.49 1.92 1.85 -1.26 -5.01 116.66 106.10 2dnt n ARG 18 Ca -0.16 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.32 2dnt n ARG 18 Cb 0.50 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.84 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 5.25 -0.08 8.89 -1.09 -1.26 -2.92 121.20 127.99 2dnt s ILE 19 Ca 0.00 0.67 0.10 0.00 -2.23 0.00 0.00 60.65 59.18 2dnt s ILE 19 Cb 0.00 -3.68 -0.14 0.00 -1.58 0.00 0.00 42.46 37.06 2dnt s ILE 19 CO 0.00 0.41 0.24 1.33 -1.23 0.00 0.00 174.94 175.69 2dnt n VAL 20 N 3.30 0.00 -3.80 2.92 0.24 0.30 -4.97 118.33 116.32 2dnt n VAL 20 Ca -0.11 -0.23 -0.04 0.00 -2.04 0.00 0.00 64.34 61.91 2dnt n VAL 20 Cb 0.52 0.39 -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 -0.15 -0.28 -1.34 -1.08 -1.18 -4.96 116.67 104.78 2dnt s ASP 21 Ca -0.02 -0.54 -0.18 0.00 -0.52 0.00 0.00 52.55 51.28 2dnt s ASP 21 Cb 0.06 0.57 0.09 0.00 -1.46 0.00 0.00 42.92 42.18 2dnt s ASP 21 CO 0.39 -1.07 0.75 -0.75 0.52 0.00 0.00 175.17 175.01 2dnt s LYS 22 N -3.18 0.69 0.27 4.34 2.20 -1.26 0.19 119.74 122.99 2dnt s LYS 22 Ca 0.14 1.08 -0.13 0.00 -0.36 0.00 0.00 55.97 56.70 2dnt s LYS 22 Cb -0.03 0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.49 2dnt s LYS 22 CO 0.04 -0.13 0.53 1.03 -0.36 0.00 0.00 175.35 176.47 2dnt s ARG 23 N 1.25 1.67 0.11 4.03 1.81 0.19 -4.97 118.95 123.05 2dnt s ARG 23 Ca -0.07 -1.30 0.04 0.00 -1.72 0.00 0.00 55.73 52.69 2dnt s ARG 23 Cb -0.05 0.50 -0.04 0.00 -0.45 0.00 0.00 34.95 34.91 2dnt s ARG 23 CO -0.14 -0.71 0.07 0.21 -0.68 0.00 0.00 175.30 174.04 2dnt s LYS 24 N -3.76 2.76 0.62 3.54 2.20 -1.26 0.14 119.74 123.98 2dnt s LYS 24 Ca 0.22 -0.81 -0.07 0.00 -0.36 0.00 0.00 55.97 54.95 2dnt s LYS 24 Cb -0.02 -2.63 0.01 0.00 -1.51 0.00 0.00 37.83 33.69 2dnt s LYS 24 CO 0.10 0.53 0.94 -0.80 -0.36 0.00 0.00 175.35 175.76 2dnt s ASN 25 N -2.59 5.49 0.52 1.43 0.01 0.50 -4.87 114.94 115.44 2dnt s ASN 25 Ca 0.29 0.74 0.17 0.00 -0.71 0.00 0.00 52.86 53.35 2dnt s ASN 25 Cb -0.11 -1.67 1.31 0.00 0.41 0.00 0.00 41.25 41.18 2dnt s ASN 25 CO 0.21 -1.16 2.15 0.07 -1.51 0.00 0.00 177.10 176.86 2dnt h LYS 26 N -0.29 0.00 0.00 -0.60 5.09 -2.00 0.18 116.57 118.95 2dnt h LYS 26 Ca -0.45 0.00 -0.13 0.00 0.09 0.00 0.00 60.65 60.16 2dnt h LYS 26 Cb 1.26 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.57 2dnt h LYS 26 CO 0.61 0.00 -0.62 0.87 -2.09 0.00 0.00 179.45 178.22 2dnt h LYS 27 N 0.00 0.00 0.00 0.07 1.79 -2.05 -3.46 116.57 112.91 2dnt h LYS 27 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2dnt h LYS 27 Cb 0.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 2dnt h LYS 27 CO -0.00 0.62 0.00 0.41 -1.08 0.00 0.00 179.45 179.40 2dnt n GLY 28 N 0.40 1.81 3.83 3.86 0.00 0.62 -5.12 105.19 110.60 2dnt n GLY 28 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 3.74 0.02 1.61 -0.14 -1.25 -4.75 119.74 118.80 2dnt s LYS 29 Ca 0.00 -0.02 -0.29 0.00 -1.36 0.00 0.00 55.97 54.29 2dnt s LYS 29 Cb 0.00 -3.26 -0.04 0.00 -1.68 0.00 0.00 37.83 32.85 2dnt s LYS 29 CO 0.00 0.62 0.94 0.99 -0.76 0.00 0.00 175.35 177.14 2dnt s THR 30 N -0.64 4.80 -0.05 2.17 2.01 -1.26 0.19 115.64 122.86 2dnt s THR 30 Ca 0.16 1.98 0.02 0.00 0.31 0.00 0.00 61.69 64.16 2dnt s THR 30 Cb -0.13 -4.28 0.01 0.00 0.01 0.00 0.00 72.50 68.11 2dnt s THR 30 CO 0.05 0.21 -0.10 -1.61 -0.69 0.00 0.00 174.62 172.47 2dnt s GLU 31 N 0.72 1.43 -0.16 4.92 2.02 0.38 -2.47 118.70 125.54 2dnt s GLU 31 Ca 0.49 -0.34 -0.02 0.00 0.02 0.00 0.00 54.97 55.11 2dnt s GLU 31 Cb -0.21 -1.23 -0.02 0.00 0.10 0.00 0.00 34.13 32.77 2dnt s GLU 31 CO 0.27 0.02 -0.07 0.71 0.02 0.00 0.00 175.26 176.21 2dnt s TYR 32 N 0.63 2.93 -0.37 1.61 2.02 0.17 0.56 117.35 124.90 2dnt s TYR 32 Ca -0.12 -0.55 -0.29 0.00 -0.37 0.00 0.00 57.07 55.74 2dnt s TYR 32 Cb -0.15 -1.94 0.00 0.00 -0.40 0.00 0.00 41.96 39.47 2dnt s TYR 32 CO 0.03 -0.20 1.47 -1.17 -1.57 0.00 0.00 175.55 174.10 2dnt s LEU 33 N 0.57 3.63 0.04 -1.29 2.96 0.50 -1.91 118.68 123.18 2dnt s LEU 33 Ca -0.05 1.00 0.06 0.00 -0.22 0.00 0.00 54.13 54.93 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 0.03 -1.41 -0.19 0.54 -1.32 0.00 0.00 176.35 174.00 2dnt s VAL 34 N 5.49 1.50 0.78 1.68 0.11 -0.97 0.11 120.40 129.09 2dnt s VAL 34 Ca 0.64 -1.10 -0.07 0.00 -2.93 0.00 0.00 61.98 58.51 2dnt s VAL 34 Cb -0.16 -1.31 0.12 0.00 -1.53 0.00 0.00 36.38 33.50 2dnt s VAL 34 CO 0.31 0.18 1.09 -0.13 -3.33 0.00 0.00 175.10 173.22 2dnt s ARG 35 N -1.09 1.61 0.19 1.54 0.52 -1.15 -3.06 118.95 117.51 2dnt s ARG 35 Ca 0.06 -0.55 -0.23 0.00 -0.52 0.00 0.00 55.73 54.48 2dnt s ARG 35 Cb -0.08 -2.13 0.05 0.00 0.52 0.00 0.00 34.95 33.31 2dnt s ARG 35 CO 0.01 -1.63 0.72 -1.58 0.02 0.00 0.00 175.30 172.84 2dnt s TRP 36 N -3.39 -0.34 0.24 -0.53 0.52 -1.26 -3.82 118.94 110.36 2dnt s TRP 36 Ca 0.66 0.03 -0.30 0.00 0.02 0.00 0.00 56.10 56.51 2dnt s TRP 36 Cb -0.07 0.62 -0.09 0.00 -1.15 0.00 0.00 33.47 32.79 2dnt s TRP 36 CO 0.47 -0.97 1.09 0.15 0.02 0.00 0.00 176.95 177.71 2dnt s LYS 37 N -3.70 4.64 0.00 4.98 1.02 -1.26 -3.17 119.74 122.25 2dnt s LYS 37 Ca 0.07 1.75 0.00 0.00 0.02 0.00 0.00 55.97 57.80 2dnt s LYS 37 Cb -0.03 -3.23 0.00 0.00 -0.52 0.00 0.00 37.83 34.05 2dnt s LYS 37 CO -0.03 0.18 0.00 0.41 -0.92 0.00 0.00 175.35 174.99 2dnt n GLY 38 N 1.56 2.60 3.61 -3.33 0.00 -1.26 -4.99 105.19 103.39 2dnt n GLY 38 Ca 0.00 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.08 3.11 0.98 1.61 2.02 -1.19 -5.03 117.35 117.77 2dnt s TYR 39 Ca 0.00 0.83 -0.14 0.00 -0.37 0.00 0.00 57.07 57.39 2dnt s TYR 39 Cb 0.00 -3.57 0.22 0.00 -0.40 0.00 0.00 41.96 38.21 2dnt s TYR 39 CO 0.00 -0.77 0.49 -0.25 -1.57 0.00 0.00 175.55 173.46 2dnt n ASP 40 N 6.67 -3.16 -0.19 2.29 9.92 -1.26 -4.53 116.55 126.29 2dnt n ASP 40 Ca 0.07 -0.50 -0.09 0.00 -0.53 0.00 0.00 54.79 53.74 2dnt n ASP 40 Cb 0.48 -0.71 0.01 0.00 -0.64 0.00 0.00 41.12 40.27 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 -2.90 0.89 -0.05 -2.24 0.87 -1.95 -1.83 113.55 106.35 2dnt h SER 41 Ca -0.22 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 2dnt h SER 41 Cb 0.76 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 2dnt h SER 41 CO 0.13 0.96 0.00 -1.84 -0.53 0.00 0.00 176.83 175.55 2dnt n GLU 42 N -4.32 1.37 0.00 2.24 0.28 -1.26 -2.98 120.64 115.98 2dnt n GLU 42 Ca 0.02 -0.55 0.11 0.00 -0.16 0.00 0.00 57.16 56.57 2dnt n GLU 42 Cb 0.30 -1.41 -0.04 0.00 1.43 0.00 0.00 31.44 31.72 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 -0.28 1.18 -4.34 -1.84 -0.08 -0.72 -4.99 116.55 105.49 2dnt n ASP 43 Ca 0.18 -1.03 -0.44 0.00 -1.51 0.00 0.00 54.79 51.99 2dnt n ASP 43 Cb 0.22 0.77 -0.01 0.00 2.34 0.00 0.00 41.12 44.44 2dnt n ASP 43 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2dnt n ASP 44 N -1.13 -2.29 -4.76 1.67 5.68 -1.03 -4.77 116.55 109.91 2dnt n ASP 44 Ca 0.06 0.91 -0.23 0.00 -0.50 0.00 0.00 54.79 55.03 2dnt n ASP 44 Cb 0.36 -0.91 -0.06 0.00 -1.14 0.00 0.00 41.12 39.37 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 -1.47 3.02 -0.26 2.12 -4.23 -1.17 -5.00 115.64 108.65 2dnt s THR 45 Ca 0.61 -1.62 -0.05 0.00 -1.18 0.00 0.00 61.69 59.45 2dnt s THR 45 Cb -0.72 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.11 2dnt s THR 45 CO 0.61 -0.15 0.02 0.26 -0.54 0.00 0.00 174.62 174.81 2dnt s TRP 46 N -2.42 3.08 -0.08 3.99 0.52 -1.26 -2.30 118.94 120.46 2dnt s TRP 46 Ca 0.39 -1.02 0.02 0.00 0.02 0.00 0.00 56.10 55.52 2dnt s TRP 46 Cb -0.03 -2.18 -0.02 0.00 -1.15 0.00 0.00 33.47 30.10 2dnt s TRP 46 CO 0.24 -0.57 -0.15 -1.21 0.02 0.00 0.00 176.95 175.28 2dnt s GLU 47 N 1.47 2.85 0.22 4.98 0.41 -0.80 -4.88 118.70 122.95 2dnt s GLU 47 Ca 0.03 -0.71 -0.30 0.00 -0.41 0.00 0.00 54.97 53.59 2dnt s GLU 47 Cb -0.16 -2.46 -0.08 0.00 -1.78 0.00 0.00 34.13 29.64 2dnt s GLU 47 CO -0.00 0.45 1.10 -1.25 -0.49 0.00 0.00 175.26 175.07 2dnt s PRO 48 N -0.27 4.61 0.53 0.39 0.04 -1.26 0.42 135.00 139.46 2dnt s PRO 48 Ca 0.02 1.76 0.46 0.00 0.04 0.00 0.00 61.00 63.28 2dnt s PRO 48 Cb -0.13 -3.24 1.69 0.00 0.04 0.00 0.00 34.50 32.86 2dnt s PRO 48 CO 0.03 0.13 1.57 -1.91 0.04 0.00 0.00 177.00 176.86 2dnt n GLU 49 N 1.90 -0.01 0.01 4.56 2.13 -1.03 0.18 120.64 128.38 2dnt n GLU 49 Ca 0.01 1.13 -0.11 0.00 0.66 0.00 0.00 57.16 58.85 2dnt n GLU 49 Cb 0.45 -2.51 -0.06 0.00 0.27 0.00 0.00 31.44 29.60 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 0.09 0.00 5.31 4.15 -1.90 -1.24 115.11 121.52 2dnt h GLN 50 Ca 0.93 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 60.34 2dnt h GLN 50 Cb 3.58 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 31.25 2dnt h GLN 50 CO -0.13 0.06 -0.03 0.45 -1.93 0.00 0.00 178.83 177.25 2dnt h HIS 51 N 0.09 0.00 -1.44 3.99 3.86 0.15 -3.28 115.15 118.53 2dnt h HIS 51 Ca 0.03 0.00 -0.76 0.00 -1.16 0.00 0.00 60.37 58.48 2dnt h HIS 51 Cb -0.01 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 28.30 2dnt h HIS 51 CO -0.07 0.03 2.03 1.28 0.86 0.00 0.00 177.93 182.05 2dnt n LEU 52 N -3.15 7.00 -4.80 2.43 4.77 -0.47 -4.97 117.00 117.80 2dnt n LEU 52 Ca 0.00 -4.76 -0.36 0.00 -0.03 0.00 0.00 56.01 50.86 2dnt n LEU 52 Cb 0.30 -1.43 -0.06 0.00 -2.33 0.00 0.00 43.42 39.89 2dnt n LEU 52 CO 0.27 1.58 0.55 -0.69 -1.33 0.00 0.00 177.39 177.77 2dnt s VAL 53 N -0.29 4.39 -1.34 4.08 1.01 -1.24 -3.38 120.40 123.65 2dnt s VAL 53 Ca 0.42 1.53 0.00 0.00 0.00 0.00 0.00 61.98 63.94 2dnt s VAL 53 Cb 0.12 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.61 2dnt s VAL 53 CO -0.01 0.11 0.00 0.59 0.00 0.00 0.00 175.10 175.78 2dnt n ASN 54 N 0.46 -3.82 -0.18 3.32 3.02 -1.26 -4.71 115.26 112.10 2dnt n ASN 54 Ca 0.01 0.27 0.02 0.00 -0.03 0.00 0.00 54.58 54.85 2dnt n ASN 54 Cb 0.51 -3.42 0.02 0.00 -0.61 0.00 0.00 39.78 36.28 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 0.86 0.11 -0.07 0.00 5.08 -1.84 -0.67 114.58 118.05 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 0.18 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2dnt h GLU 56 CO 0.00 0.07 -0.07 1.49 -1.00 0.00 0.00 179.01 179.50 2dnt h GLU 57 N 0.11 -0.03 -0.29 2.33 4.81 -1.96 1.27 114.58 120.82 2dnt h GLU 57 Ca 0.81 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 60.08 2dnt h GLU 57 Cb 2.15 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 31.47 2dnt h GLU 57 CO -0.65 -0.02 -0.46 1.88 -0.73 0.00 0.00 179.01 179.03 2dnt h TYR 58 N -0.03 -1.39 -0.58 0.92 0.05 -1.49 0.13 116.97 114.58 2dnt h TYR 58 Ca 0.01 0.06 0.11 0.00 0.05 0.00 0.00 58.73 58.96 2dnt h TYR 58 Cb 0.07 0.64 -0.11 0.00 1.01 0.00 0.00 36.73 38.34 2dnt h TYR 58 CO -0.71 -0.41 -0.29 0.82 -1.05 0.00 0.00 178.16 176.52 2dnt h ILE 59 N -0.36 0.22 -0.17 -2.88 2.04 -1.29 0.62 117.51 115.69 2dnt h ILE 59 Ca 0.05 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.94 2dnt h ILE 59 Cb 0.50 0.22 -0.06 0.00 -0.74 0.00 0.00 36.82 36.74 2dnt h ILE 59 CO -0.46 0.00 -0.45 0.45 0.00 0.00 0.00 178.15 177.69 2dnt h HIS 60 N -0.14 -1.35 -0.50 1.37 3.86 0.30 1.46 115.15 120.15 2dnt h HIS 60 Ca 0.24 0.05 0.10 0.00 -1.16 0.00 0.00 60.37 59.61 2dnt h HIS 60 Cb 0.53 0.61 -0.09 0.00 1.06 0.00 0.00 27.41 29.53 2dnt h HIS 60 CO -0.60 -0.44 -0.03 0.22 0.86 0.00 0.00 177.93 177.95 2dnt h ASP 61 N -0.44 -0.28 -0.95 2.45 3.58 0.53 0.36 116.42 121.67 2dnt h ASP 61 Ca 0.03 0.13 0.05 0.00 0.42 0.00 0.00 57.03 57.66 2dnt h ASP 61 Cb 0.54 0.24 -0.06 0.00 1.72 0.00 0.00 39.33 41.77 2dnt h ASP 61 CO -0.39 -0.10 0.62 0.15 -2.88 0.00 0.00 179.24 176.64 2dnt h PHE 62 N 0.08 1.13 -0.40 0.28 3.57 0.17 -0.70 116.94 121.08 2dnt h PHE 62 Ca 0.25 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.68 2dnt h PHE 62 Cb 0.39 -0.38 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 2dnt h PHE 62 CO -0.34 0.62 -0.17 -0.91 -2.23 0.00 0.00 178.31 175.28 2dnt h ASN 63 N 1.14 0.77 0.23 0.41 2.35 0.46 -2.39 115.58 118.56 2dnt h ASN 63 Ca 0.39 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 2dnt h ASN 63 Cb 0.10 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.26 2dnt h ASN 63 CO -0.14 0.94 -0.11 0.03 -1.65 0.00 0.00 177.43 176.50 2dnt h ARG 64 N 0.68 -0.30 0.07 0.81 2.47 0.99 0.21 114.38 119.31 2dnt h ARG 64 Ca 0.10 0.02 0.03 0.00 -1.26 0.00 0.00 59.98 58.87 2dnt h ARG 64 Cb 0.67 0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 29.01 2dnt h ARG 64 CO 0.05 -0.20 -0.34 0.00 0.56 0.00 0.00 179.97 180.04 2dnt h ARG 65 N -0.31 -0.51 0.18 0.04 -0.00 -1.16 -3.05 114.38 109.57 2dnt h ARG 65 Ca -0.03 0.03 -0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2dnt h ARG 65 Cb 0.24 0.12 -0.01 0.00 0.00 0.00 0.00 29.97 30.32 2dnt h ARG 65 CO 0.05 -0.34 -0.20 1.25 0.00 0.00 0.00 179.97 180.72 2dnt h HIS 66 N -0.53 -0.57 -3.51 3.04 -0.00 -1.31 -3.43 115.15 108.85 2dnt h HIS 66 Ca 0.04 0.01 -0.57 0.00 -0.00 0.00 0.00 60.37 59.85 2dnt h HIS 66 Cb 0.59 0.22 0.17 0.00 -0.00 0.00 0.00 27.41 28.39 2dnt h HIS 66 CO -0.33 -0.26 0.04 2.41 -0.00 0.00 0.00 177.93 179.79 2dnt n THR 67 N -3.57 3.55 -1.04 6.26 -1.04 0.71 -4.91 114.28 114.24 2dnt n THR 67 Ca -0.05 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 61.13 2dnt n THR 67 Cb 0.18 -1.07 0.12 0.00 -1.82 0.00 0.00 70.33 67.74 2dnt n THR 67 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2dnt n GLU 68 N -0.94 0.06 -3.75 -2.82 1.02 -1.26 -4.80 120.64 108.14 2dnt n GLU 68 Ca 0.14 0.09 -0.09 0.00 -0.02 0.00 0.00 57.16 57.27 2dnt n GLU 68 Cb 0.48 -2.20 -0.03 0.00 -0.02 0.00 0.00 31.44 29.66 2dnt n GLU 68 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2dnt s LYS 69 N -3.80 1.51 0.52 3.49 2.36 -1.26 -4.99 119.74 117.57 2dnt s LYS 69 Ca 0.68 -0.88 0.00 0.00 -2.55 0.00 0.00 55.97 53.22 2dnt s LYS 69 Cb -0.28 0.55 0.00 0.00 -1.05 0.00 0.00 37.83 37.05 2dnt s LYS 69 CO 0.56 -0.66 0.00 1.04 1.55 0.00 0.00 175.35 177.84 2dnt n GLN 70 N -0.39 -3.09 -1.21 4.03 6.02 -1.26 -4.82 117.38 116.65 2dnt n GLN 70 Ca -0.08 2.47 -0.37 0.00 -0.01 0.00 0.00 57.00 59.01 2dnt n GLN 70 Cb 0.62 -3.32 0.04 0.00 1.02 0.00 0.00 30.24 28.59 2dnt n GLN 70 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 2dnt n LYS 71 N -3.32 0.12 -3.58 -1.09 2.85 -1.26 -4.98 118.16 106.90 2dnt n LYS 71 Ca -0.05 0.05 -0.05 0.00 -1.05 0.00 0.00 58.31 57.22 2dnt n LYS 71 Cb 0.51 -1.29 -0.02 0.00 -0.65 0.00 0.00 35.03 33.58 2dnt n LYS 71 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2dnt s GLU 72 N -1.80 0.50 -0.66 -1.58 2.02 -1.26 -5.09 118.70 110.83 2dnt s GLU 72 Ca 0.57 -0.20 -0.28 0.00 0.02 0.00 0.00 54.97 55.08 2dnt s GLU 72 Cb -0.39 0.22 -0.12 0.00 0.10 0.00 0.00 34.13 33.94 2dnt s GLU 72 CO 0.66 -0.22 2.51 0.43 0.02 0.00 0.00 175.26 178.67 2dnt n SER 73 N -0.19 1.62 -0.16 -0.19 7.64 -1.26 -4.71 113.62 116.37 2dnt n SER 73 Ca -0.03 -0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.58 2dnt n SER 73 Cb 0.60 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 2dnt n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dnt n GLY 74 N 6.19 1.39 0.10 0.23 0.00 -1.26 -5.06 105.19 106.78 2dnt n GLY 74 Ca 0.47 -0.68 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 2dnt n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dnt h PRO 75 N 0.00 -0.11 -1.39 1.61 0.13 -2.07 -3.48 132.00 126.70 2dnt h PRO 75 Ca 0.00 0.01 0.13 0.00 -0.87 0.00 0.00 66.00 65.27 2dnt h PRO 75 Cb 0.00 0.02 -0.26 0.00 0.13 0.00 0.00 31.00 30.90 2dnt h PRO 75 CO 0.00 0.44 0.67 -1.12 -0.23 0.00 0.00 178.00 177.76 2dnt s SER 76 N -5.70 -0.26 0.10 1.44 0.01 -1.26 -5.06 113.70 102.96 2dnt s SER 76 Ca -0.13 0.35 -0.34 0.00 1.31 0.00 0.00 55.95 57.14 2dnt s SER 76 Cb -0.00 0.31 -0.14 0.00 0.21 0.00 0.00 66.02 66.39 2dnt s SER 76 CO 0.51 -0.20 1.58 -1.28 0.41 0.00 0.00 173.24 174.26 2dnt h SER 77 N 2.76 -1.29 0.00 2.44 0.87 -1.93 -3.50 113.55 112.90 2dnt h SER 77 Ca -0.18 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2dnt h SER 77 Cb 1.17 0.45 0.00 0.00 -0.44 0.00 0.00 62.40 63.58 2dnt h SER 77 CO 0.24 -0.58 0.00 0.61 -0.53 0.00 0.00 176.83 176.57