#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 -0.08 -4.93 1.61 2.88 -1.26 -5.12 113.62 106.72 2dnt n SER 2 Ca 0.00 0.41 -0.25 0.00 -1.33 0.00 0.00 58.87 57.70 2dnt n SER 2 Cb 0.00 0.32 0.03 0.00 -0.75 0.00 0.00 64.21 63.81 2dnt n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dnt s SER 3 N -5.06 5.60 -0.31 -3.46 0.15 -1.26 -5.09 113.70 104.27 2dnt s SER 3 Ca 0.00 0.52 -0.07 0.00 0.70 0.00 0.00 55.95 57.11 2dnt s SER 3 Cb 0.00 -1.56 0.19 0.00 -1.71 0.00 0.00 66.02 62.93 2dnt s SER 3 CO 0.00 -0.99 0.95 -0.83 1.20 0.00 0.00 173.24 173.56 2dnt s GLY 4 N -4.30 -1.15 -0.04 9.45 0.00 -1.26 -5.16 107.32 104.86 2dnt s GLY 4 Ca 0.53 1.62 -0.08 0.00 0.00 0.00 0.00 44.72 46.79 2dnt s GLY 4 CO 0.43 4.06 0.19 -0.56 0.00 0.00 0.00 173.10 177.22 2dnt s SER 5 N 2.63 -0.13 0.02 1.64 0.01 -1.26 -5.07 113.70 111.54 2dnt s SER 5 Ca 0.21 0.17 -0.04 0.00 1.31 0.00 0.00 55.95 57.60 2dnt s SER 5 Cb -0.02 0.34 -0.01 0.00 0.21 0.00 0.00 66.02 66.53 2dnt s SER 5 CO -0.20 -0.21 -0.07 -0.24 0.41 0.00 0.00 173.24 172.92 2dnt n SER 6 N 2.27 1.03 0.00 2.44 2.88 -1.26 -5.15 113.62 115.83 2dnt n SER 6 Ca -0.17 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 2dnt n SER 6 Cb 0.57 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 2dnt n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dnt n GLY 7 N 2.98 4.66 3.72 0.46 0.00 -1.26 -5.11 105.19 110.63 2dnt n GLY 7 Ca -0.03 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.72 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 -3.90 4.40 0.04 1.61 -2.45 -1.26 -4.77 119.30 112.98 2dnt s MET 8 Ca 0.00 0.76 0.00 0.00 -1.25 0.00 0.00 55.69 55.20 2dnt s MET 8 Cb 0.00 -3.43 0.00 0.00 1.25 0.00 0.00 34.83 32.65 2dnt s MET 8 CO 0.00 0.13 0.00 0.00 1.05 0.00 0.00 175.02 176.20 2dnt n ALA 9 N 3.62 -2.79 -3.38 4.11 0.00 -1.26 -5.06 120.51 115.74 2dnt n ALA 9 Ca -0.03 0.10 -0.14 0.00 0.00 0.00 0.00 53.44 53.37 2dnt n ALA 9 Cb 0.51 -0.65 -0.09 0.00 0.00 0.00 0.00 19.45 19.23 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 -0.11 1.16 -0.40 0.00 0.01 -1.26 -5.07 113.70 108.02 2dnt s SER 10 Ca 0.00 -0.48 0.03 0.00 1.31 0.00 0.00 55.95 56.81 2dnt s SER 10 Cb 0.00 0.71 0.16 0.00 0.21 0.00 0.00 66.02 67.10 2dnt s SER 10 CO 0.00 -0.36 0.34 -0.70 0.41 0.00 0.00 173.24 172.92 2dnt s GLU 11 N 2.42 0.81 0.54 12.44 2.12 -1.26 -5.13 118.70 130.64 2dnt s GLU 11 Ca 0.10 -1.76 0.03 0.00 0.36 0.00 0.00 54.97 53.69 2dnt s GLU 11 Cb -0.14 -1.25 0.04 0.00 0.26 0.00 0.00 34.13 33.04 2dnt s GLU 11 CO -0.28 -1.33 0.75 -1.21 -0.54 0.00 0.00 175.26 172.65 2dnt s GLU 12 N 0.45 2.52 0.01 4.30 2.02 -1.26 -5.04 118.70 121.70 2dnt s GLU 12 Ca 0.28 -0.96 -0.07 0.00 0.02 0.00 0.00 54.97 54.24 2dnt s GLU 12 Cb -0.04 -2.54 -0.04 0.00 0.10 0.00 0.00 34.13 31.61 2dnt s GLU 12 CO -0.13 -0.69 1.11 1.37 0.02 0.00 0.00 175.26 176.94 2dnt h LEU 13 N 0.15 -0.23 0.00 1.80 -0.00 -2.07 -3.47 115.31 111.49 2dnt h LEU 13 Ca -0.40 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.49 2dnt h LEU 13 Cb 1.29 0.06 0.00 0.00 -0.00 0.00 0.00 40.66 42.01 2dnt h LEU 13 CO 0.49 -0.15 0.00 -1.22 -0.00 0.00 0.00 178.44 177.56 2dnt n TYR 14 N -2.73 0.00 -3.96 0.17 4.02 -1.26 -5.17 117.16 108.23 2dnt n TYR 14 Ca -0.03 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.73 2dnt n TYR 14 Cb 0.10 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.28 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 -1.49 0.15 -0.15 -0.72 -1.05 -1.26 -5.11 118.70 109.07 2dnt s GLU 15 Ca 0.00 -0.11 -0.29 0.00 -0.15 0.00 0.00 54.97 54.42 2dnt s GLU 15 Cb 0.00 -0.12 -0.03 0.00 -0.44 0.00 0.00 34.13 33.54 2dnt s GLU 15 CO 0.00 0.03 1.48 0.08 0.95 0.00 0.00 175.26 177.80 2dnt s VAL 16 N -0.15 3.90 -0.08 1.83 1.01 -1.26 -4.82 120.40 120.82 2dnt s VAL 16 Ca -0.01 1.07 -0.24 0.00 0.00 0.00 0.00 61.98 62.80 2dnt s VAL 16 Cb -0.01 -3.76 -0.20 0.00 0.00 0.00 0.00 36.38 32.41 2dnt s VAL 16 CO -0.00 -0.17 0.88 -0.08 0.00 0.00 0.00 175.10 175.73 2dnt h GLU 17 N 9.29 -0.05 0.00 2.72 4.81 -1.95 -3.50 114.58 125.90 2dnt h GLU 17 Ca -0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 2dnt h GLU 17 Cb 1.14 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.53 2dnt h GLU 17 CO 0.98 0.60 0.00 2.89 -0.73 0.00 0.00 179.01 182.75 2dnt n ARG 18 N -4.77 0.00 -3.53 1.92 1.85 -1.26 -5.01 116.66 105.86 2dnt n ARG 18 Ca -0.08 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.40 2dnt n ARG 18 Cb 0.33 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.67 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 5.30 -0.04 8.89 -1.09 -1.26 -2.92 121.20 128.09 2dnt s ILE 19 Ca 0.00 0.56 0.11 0.00 -2.23 0.00 0.00 60.65 59.09 2dnt s ILE 19 Cb 0.00 -3.63 -0.16 0.00 -1.58 0.00 0.00 42.46 37.08 2dnt s ILE 19 CO 0.00 0.39 0.20 1.33 -1.23 0.00 0.00 174.94 175.63 2dnt n VAL 20 N 3.54 0.17 -3.82 2.92 0.24 0.23 -4.96 118.33 116.65 2dnt n VAL 20 Ca -0.12 -0.30 -0.06 0.00 -2.04 0.00 0.00 64.34 61.82 2dnt n VAL 20 Cb 0.52 0.02 -0.02 0.00 -1.47 0.00 0.00 33.84 32.89 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 -3.52 -0.24 -0.19 -1.34 -1.08 -1.18 -4.97 116.67 104.15 2dnt s ASP 21 Ca -0.04 -0.54 -0.17 0.00 -0.52 0.00 0.00 52.55 51.27 2dnt s ASP 21 Cb 0.06 0.66 0.05 0.00 -1.46 0.00 0.00 42.92 42.23 2dnt s ASP 21 CO 0.46 -1.22 0.50 -0.75 0.52 0.00 0.00 175.17 174.68 2dnt s LYS 22 N -3.74 0.58 0.36 4.34 2.20 -1.26 0.19 119.74 122.40 2dnt s LYS 22 Ca 0.11 0.69 -0.12 0.00 -0.36 0.00 0.00 55.97 56.29 2dnt s LYS 22 Cb -0.05 0.28 0.05 0.00 -1.51 0.00 0.00 37.83 36.60 2dnt s LYS 22 CO 0.05 -0.07 0.70 0.54 -0.36 0.00 0.00 175.35 176.21 2dnt n ARG 23 N 2.82 1.00 -4.02 4.03 1.74 0.22 -4.96 116.66 117.48 2dnt n ARG 23 Ca -0.13 -2.12 -0.31 0.00 -0.77 0.00 0.00 57.85 54.52 2dnt n ARG 23 Cb 0.57 2.56 -0.06 0.00 -1.02 0.00 0.00 32.46 34.51 2dnt n ARG 23 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2dnt s LYS 24 N -2.16 3.00 1.03 5.56 2.47 -1.26 0.20 119.74 128.57 2dnt s LYS 24 Ca 0.16 -0.64 -0.17 0.00 -1.56 0.00 0.00 55.97 53.76 2dnt s LYS 24 Cb -0.04 -2.79 0.24 0.00 -1.46 0.00 0.00 37.83 33.78 2dnt s LYS 24 CO 0.12 0.58 1.32 1.21 0.16 0.00 0.00 175.35 178.74 2dnt s ASN 25 N -2.41 2.48 0.17 1.43 3.84 0.45 -4.83 114.94 116.07 2dnt s ASN 25 Ca 0.30 0.20 -0.06 0.00 0.21 0.00 0.00 52.86 53.51 2dnt s ASN 25 Cb -0.12 -0.16 0.05 0.00 -0.55 0.00 0.00 41.25 40.46 2dnt s ASN 25 CO 0.23 -3.12 1.49 0.50 -2.79 0.00 0.00 177.10 173.41 2dnt h LYS 26 N -1.91 0.71 -0.04 0.43 3.11 -2.00 -2.92 116.57 113.95 2dnt h LYS 26 Ca -0.44 -0.42 -0.16 0.00 -2.81 0.00 0.00 60.65 56.82 2dnt h LYS 26 Cb 1.22 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.48 2dnt h LYS 26 CO 0.31 1.04 -0.69 0.87 -2.81 0.00 0.00 179.45 178.18 2dnt h LYS 27 N 0.55 0.18 0.00 1.90 1.57 -2.06 -3.46 116.57 115.25 2dnt h LYS 27 Ca 0.02 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2dnt h LYS 27 Cb 1.06 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2dnt h LYS 27 CO 0.10 0.79 0.00 0.41 -0.57 0.00 0.00 179.45 180.19 2dnt n GLY 28 N 0.44 1.46 3.73 3.86 0.00 -1.10 -5.14 105.19 108.44 2dnt n GLY 28 Ca -0.02 0.00 -0.35 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 -0.02 3.06 -0.01 1.61 -0.14 -1.26 -4.76 119.74 118.22 2dnt s LYS 29 Ca 0.00 -0.38 -0.30 0.00 -1.36 0.00 0.00 55.97 53.93 2dnt s LYS 29 Cb 0.00 -2.86 -0.06 0.00 -1.68 0.00 0.00 37.83 33.23 2dnt s LYS 29 CO 0.00 0.71 1.55 0.99 -0.76 0.00 0.00 175.35 177.84 2dnt s THR 30 N -0.95 3.54 -0.03 2.17 2.01 -1.26 0.17 115.64 121.28 2dnt s THR 30 Ca 0.15 0.83 0.07 0.00 0.31 0.00 0.00 61.69 63.05 2dnt s THR 30 Cb -0.12 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 68.84 2dnt s THR 30 CO 0.04 -0.03 -0.23 -1.61 -0.69 0.00 0.00 174.62 172.10 2dnt s GLU 31 N 3.14 2.22 -0.11 4.92 2.02 0.52 -2.24 118.70 129.18 2dnt s GLU 31 Ca 0.69 -0.87 0.01 0.00 0.02 0.00 0.00 54.97 54.83 2dnt s GLU 31 Cb -0.34 -2.13 0.02 0.00 0.10 0.00 0.00 34.13 31.78 2dnt s GLU 31 CO 0.28 0.57 -0.14 0.71 0.02 0.00 0.00 175.26 176.70 2dnt s TYR 32 N -0.63 1.90 -0.38 1.61 2.02 0.91 0.69 117.35 123.48 2dnt s TYR 32 Ca 0.10 -0.90 -0.29 0.00 -0.37 0.00 0.00 57.07 55.61 2dnt s TYR 32 Cb -0.10 -1.39 0.00 0.00 -0.40 0.00 0.00 41.96 40.07 2dnt s TYR 32 CO -0.00 -0.48 1.50 -1.17 -1.57 0.00 0.00 175.55 173.83 2dnt s LEU 33 N 1.05 3.59 0.02 -1.29 2.96 0.49 -1.28 118.68 124.22 2dnt s LEU 33 Ca -0.06 0.98 0.07 0.00 -0.22 0.00 0.00 54.13 54.90 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 -0.02 -1.48 -0.21 0.54 -1.32 0.00 0.00 176.35 173.86 2dnt s VAL 34 N 5.72 1.71 0.83 1.68 0.11 -0.78 0.78 120.40 130.44 2dnt s VAL 34 Ca 0.66 -1.10 -0.09 0.00 -2.93 0.00 0.00 61.98 58.51 2dnt s VAL 34 Cb -0.16 -1.46 0.15 0.00 -1.53 0.00 0.00 36.38 33.38 2dnt s VAL 34 CO 0.32 0.32 1.15 -0.13 -3.33 0.00 0.00 175.10 173.44 2dnt s ARG 35 N -0.92 1.32 -0.06 1.54 1.81 -1.15 -3.07 118.95 118.42 2dnt s ARG 35 Ca 0.08 -0.59 -0.30 0.00 -1.72 0.00 0.00 55.73 53.20 2dnt s ARG 35 Cb -0.09 -2.07 0.09 0.00 -0.45 0.00 0.00 34.95 32.43 2dnt s ARG 35 CO 0.01 -1.85 0.76 -1.58 -0.68 0.00 0.00 175.30 171.95 2dnt s TRP 36 N -3.52 -0.57 0.67 -0.53 0.52 -1.26 -3.80 118.94 110.45 2dnt s TRP 36 Ca 0.68 0.91 -0.15 0.00 0.02 0.00 0.00 56.10 57.57 2dnt s TRP 36 Cb -0.06 0.44 0.00 0.00 -1.15 0.00 0.00 33.47 32.70 2dnt s TRP 36 CO 0.48 -0.56 1.12 -1.59 0.02 0.00 0.00 176.95 176.42 2dnt s LYS 37 N -1.45 2.73 0.00 4.98 -2.85 -1.26 -3.24 119.74 118.65 2dnt s LYS 37 Ca -0.07 1.43 0.00 0.00 -1.00 0.00 0.00 55.97 56.33 2dnt s LYS 37 Cb -0.00 -1.94 0.00 0.00 -2.06 0.00 0.00 37.83 33.83 2dnt s LYS 37 CO 0.05 -1.31 0.00 0.41 0.10 0.00 0.00 175.35 174.61 2dnt n GLY 38 N -0.42 1.97 3.88 0.59 0.00 -1.26 -4.98 105.19 104.97 2dnt n GLY 38 Ca 0.11 -0.37 -0.30 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 -0.34 3.54 0.00 1.61 1.51 -1.20 -5.09 117.35 117.39 2dnt s TYR 39 Ca 0.00 1.10 0.00 0.00 -1.01 0.00 0.00 57.07 57.16 2dnt s TYR 39 Cb 0.00 -2.53 0.00 0.00 -0.11 0.00 0.00 41.96 39.32 2dnt s TYR 39 CO 0.00 -0.37 0.00 -0.25 -1.11 0.00 0.00 175.55 173.82 2dnt n ASP 40 N -2.06 0.00 0.04 2.29 9.92 -1.26 -4.85 116.55 120.63 2dnt n ASP 40 Ca 0.03 0.00 -0.22 0.00 -0.53 0.00 0.00 54.79 54.07 2dnt n ASP 40 Cb 0.54 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.88 2dnt n ASP 40 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 2dnt h SER 41 N 0.00 0.49 -0.05 -2.24 4.64 -1.98 -3.31 113.55 111.11 2dnt h SER 41 Ca 0.00 -0.90 0.00 0.00 -0.47 0.00 0.00 61.79 60.42 2dnt h SER 41 Cb 0.00 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 61.93 2dnt h SER 41 CO 0.00 1.73 0.00 -0.62 -0.87 0.00 0.00 176.83 177.07 2dnt n GLU 42 N -3.72 1.24 0.00 4.77 1.02 -1.26 -2.83 120.64 119.87 2dnt n GLU 42 Ca -0.26 -0.36 0.11 0.00 -0.02 0.00 0.00 57.16 56.63 2dnt n GLU 42 Cb 1.00 -1.35 -0.02 0.00 -0.02 0.00 0.00 31.44 31.05 2dnt n GLU 42 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2dnt n ASP 43 N -0.45 0.78 -4.42 1.62 9.92 -1.24 -4.97 116.55 117.77 2dnt n ASP 43 Ca 0.16 -0.67 -0.46 0.00 -0.53 0.00 0.00 54.79 53.29 2dnt n ASP 43 Cb 0.16 0.85 -0.02 0.00 -0.64 0.00 0.00 41.12 41.47 2dnt n ASP 43 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2dnt n ASP 44 N -1.60 -1.01 -4.73 -2.24 5.68 -1.13 -4.86 116.55 106.66 2dnt n ASP 44 Ca 0.04 1.07 -0.23 0.00 -0.50 0.00 0.00 54.79 55.16 2dnt n ASP 44 Cb 0.36 -1.02 -0.07 0.00 -1.14 0.00 0.00 41.12 39.26 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 -1.16 2.81 -0.20 2.12 -4.23 -1.17 -4.98 115.64 108.82 2dnt s THR 45 Ca 0.62 -1.70 -0.05 0.00 -1.18 0.00 0.00 61.69 59.38 2dnt s THR 45 Cb -0.81 -2.97 -0.02 0.00 1.34 0.00 0.00 72.50 70.04 2dnt s THR 45 CO 0.58 -0.13 -0.01 0.26 -0.54 0.00 0.00 174.62 174.78 2dnt s TRP 46 N -2.47 3.03 -0.05 3.99 0.52 -1.26 -1.87 118.94 120.82 2dnt s TRP 46 Ca 0.39 -0.47 0.06 0.00 0.02 0.00 0.00 56.10 56.09 2dnt s TRP 46 Cb -0.01 -2.07 -0.02 0.00 -1.15 0.00 0.00 33.47 30.22 2dnt s TRP 46 CO 0.23 -0.24 -0.23 -1.21 0.02 0.00 0.00 176.95 175.52 2dnt s GLU 47 N 0.97 2.46 0.24 4.98 0.41 -0.41 -4.85 118.70 122.50 2dnt s GLU 47 Ca 0.01 -0.86 -0.30 0.00 -0.41 0.00 0.00 54.97 53.41 2dnt s GLU 47 Cb -0.14 -2.19 -0.09 0.00 -1.78 0.00 0.00 34.13 29.93 2dnt s GLU 47 CO 0.02 0.47 1.09 -1.25 -0.49 0.00 0.00 175.26 175.09 2dnt s PRO 48 N -0.36 4.63 0.27 0.39 0.04 -1.26 -0.06 135.00 138.65 2dnt s PRO 48 Ca 0.03 1.76 -0.01 0.00 0.04 0.00 0.00 61.00 62.81 2dnt s PRO 48 Cb -0.12 -3.23 0.61 0.00 0.04 0.00 0.00 34.50 31.80 2dnt s PRO 48 CO 0.02 0.18 1.64 1.49 0.04 0.00 0.00 177.00 180.37 2dnt h GLU 49 N 4.32 0.17 -0.53 4.56 4.22 -1.81 1.57 114.58 127.09 2dnt h GLU 49 Ca -0.46 -0.01 0.15 0.00 0.08 0.00 0.00 59.36 59.13 2dnt h GLU 49 Cb 1.21 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 2dnt h GLU 49 CO 0.69 0.12 0.42 0.37 -2.18 0.00 0.00 179.01 178.43 2dnt h GLN 50 N 0.18 0.00 0.00 1.92 4.15 -1.92 0.60 115.11 120.05 2dnt h GLN 50 Ca 0.50 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.85 2dnt h GLN 50 Cb 0.97 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.65 2dnt h GLN 50 CO -0.65 0.00 -1.24 0.72 -1.93 0.00 0.00 178.83 175.73 2dnt n HIS 51 N -4.16 0.92 -1.50 3.99 8.25 0.51 -4.22 115.22 119.02 2dnt n HIS 51 Ca 0.10 0.29 -0.29 0.00 -0.26 0.00 0.00 57.72 57.55 2dnt n HIS 51 Cb 0.64 -1.00 -0.06 0.00 1.12 0.00 0.00 29.99 30.69 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 -2.75 6.96 -4.77 2.41 4.77 0.21 -4.95 117.00 118.89 2dnt n LEU 52 Ca -0.05 -4.15 -0.38 0.00 -0.03 0.00 0.00 56.01 51.40 2dnt n LEU 52 Cb 0.68 -1.35 -0.03 0.00 -2.33 0.00 0.00 43.42 40.39 2dnt n LEU 52 CO 0.42 1.86 0.81 0.68 -1.33 0.00 0.00 177.39 179.82 2dnt s VAL 53 N -0.68 3.34 -1.47 4.08 -7.23 -1.24 -2.36 120.40 114.86 2dnt s VAL 53 Ca 0.61 1.11 0.00 0.00 -1.81 0.00 0.00 61.98 61.89 2dnt s VAL 53 Cb 0.29 -3.62 0.00 0.00 0.56 0.00 0.00 36.38 33.61 2dnt s VAL 53 CO -0.12 0.09 0.00 0.59 -0.31 0.00 0.00 175.10 175.35 2dnt n ASN 54 N 0.12 -5.37 0.00 4.85 3.02 -1.26 -4.70 115.26 111.92 2dnt n ASN 54 Ca 0.04 0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.93 2dnt n ASN 54 Cb 0.47 -4.25 0.00 0.00 -0.61 0.00 0.00 39.78 35.40 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 0.43 -0.58 0.00 5.08 -1.84 -2.15 114.58 115.52 2dnt h GLU 56 Ca 0.00 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.39 2dnt h GLU 56 Cb 0.22 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.30 2dnt h GLU 56 CO 0.00 0.28 -0.43 1.49 -1.00 0.00 0.00 179.01 179.35 2dnt h GLU 57 N 0.44 -0.11 -0.02 2.33 4.57 -1.93 1.50 114.58 121.35 2dnt h GLU 57 Ca 0.49 0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.70 2dnt h GLU 57 Cb 1.17 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.75 2dnt h GLU 57 CO -0.20 -0.07 -0.16 1.88 -1.18 0.00 0.00 179.01 179.27 2dnt h TYR 58 N -0.12 -0.42 -0.45 0.92 0.05 -1.77 0.54 116.97 115.72 2dnt h TYR 58 Ca 0.09 0.02 0.09 0.00 0.05 0.00 0.00 58.73 58.98 2dnt h TYR 58 Cb 0.36 0.19 -0.08 0.00 1.01 0.00 0.00 36.73 38.21 2dnt h TYR 58 CO -0.89 -0.24 -0.09 0.82 -1.05 0.00 0.00 178.16 176.71 2dnt h ILE 59 N -0.26 0.57 -0.33 -2.88 2.04 -1.03 0.74 117.51 116.36 2dnt h ILE 59 Ca 0.06 -0.01 0.06 0.00 1.00 0.00 0.00 64.86 65.97 2dnt h ILE 59 Cb 0.34 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 2dnt h ILE 59 CO -0.17 0.00 0.02 0.45 0.00 0.00 0.00 178.15 178.45 2dnt h HIS 60 N 0.02 0.02 -0.71 1.37 3.86 0.27 0.62 115.15 120.60 2dnt h HIS 60 Ca 0.22 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.44 2dnt h HIS 60 Cb 0.33 0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.81 2dnt h HIS 60 CO -0.37 -0.03 0.42 0.22 0.86 0.00 0.00 177.93 179.03 2dnt h ASP 61 N 0.12 0.85 0.58 2.45 1.82 0.82 1.36 116.42 124.43 2dnt h ASP 61 Ca 0.16 -0.05 -0.10 0.00 -0.39 0.00 0.00 57.03 56.65 2dnt h ASP 61 Cb 0.20 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 39.99 2dnt h ASP 61 CO -0.25 0.66 -0.47 0.15 -1.61 0.00 0.00 179.24 177.72 2dnt h PHE 62 N 0.98 0.00 0.11 0.28 3.04 0.22 0.74 116.94 122.32 2dnt h PHE 62 Ca 0.25 0.00 -0.32 0.00 3.98 0.00 0.00 57.97 61.89 2dnt h PHE 62 Cb -0.03 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.47 2dnt h PHE 62 CO 0.00 0.47 -1.64 -0.91 -2.02 0.00 0.00 178.31 174.22 2dnt h ASN 63 N 0.00 0.37 1.25 0.41 2.35 0.16 -3.33 115.58 116.80 2dnt h ASN 63 Ca -0.00 -0.58 -0.12 0.00 -0.55 0.00 0.00 56.30 55.04 2dnt h ASN 63 Cb 0.89 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.12 2dnt h ASN 63 CO 0.06 1.49 -0.58 0.08 -1.65 0.00 0.00 177.43 176.84 2dnt h ARG 64 N 0.07 0.00 -0.17 0.81 -0.00 0.19 -3.30 114.38 111.97 2dnt h ARG 64 Ca -0.28 0.00 0.05 0.00 -0.00 0.00 0.00 59.98 59.75 2dnt h ARG 64 Cb 2.03 0.00 -0.06 0.00 -0.00 0.00 0.00 29.97 31.93 2dnt h ARG 64 CO 0.14 0.58 -0.24 0.00 -0.00 0.00 0.00 179.97 180.45 2dnt h ARG 65 N 0.00 -0.27 -0.16 0.08 2.47 0.41 -2.69 114.38 114.22 2dnt h ARG 65 Ca -0.01 0.02 0.02 0.00 -1.26 0.00 0.00 59.98 58.76 2dnt h ARG 65 Cb 1.36 0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 29.70 2dnt h ARG 65 CO 0.07 -0.18 -0.33 1.25 0.56 0.00 0.00 179.97 181.35 2dnt h HIS 66 N -0.28 -0.99 -4.02 3.04 2.76 -1.70 -3.40 115.15 110.56 2dnt h HIS 66 Ca 0.11 0.04 -0.54 0.00 -2.20 0.00 0.00 60.37 57.78 2dnt h HIS 66 Cb 0.45 0.45 0.12 0.00 1.55 0.00 0.00 27.41 29.99 2dnt h HIS 66 CO -0.36 -0.31 0.64 0.99 -1.30 0.00 0.00 177.93 177.59 2dnt s THR 67 N -4.59 2.16 -0.27 6.26 2.01 -1.01 -5.00 115.64 115.21 2dnt s THR 67 Ca -0.09 0.13 0.03 0.00 0.31 0.00 0.00 61.69 62.08 2dnt s THR 67 Cb 0.05 -3.07 0.06 0.00 0.01 0.00 0.00 72.50 69.55 2dnt s THR 67 CO 0.36 0.01 -0.10 -1.61 -0.69 0.00 0.00 174.62 172.60 2dnt s GLU 68 N -2.68 2.16 0.32 4.92 0.41 -1.26 -4.88 118.70 117.69 2dnt s GLU 68 Ca 0.66 -1.38 0.00 0.00 -0.41 0.00 0.00 54.97 53.84 2dnt s GLU 68 Cb -0.41 -2.91 0.00 0.00 -1.78 0.00 0.00 34.13 29.03 2dnt s GLU 68 CO 0.50 -0.60 0.00 1.63 -0.49 0.00 0.00 175.26 176.30 2dnt n LYS 69 N 4.42 0.00 0.00 1.61 5.02 -1.26 -4.76 118.16 123.19 2dnt n LYS 69 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 2dnt n LYS 69 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.43 2dnt n LYS 69 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 2dnt n GLN 70 N -3.50 0.00 -0.41 1.97 7.27 -1.26 -4.71 117.38 116.74 2dnt n GLN 70 Ca 0.00 0.79 0.00 0.00 0.07 0.00 0.00 57.00 57.86 2dnt n GLN 70 Cb 0.00 -1.47 0.00 0.00 2.41 0.00 0.00 30.24 31.18 2dnt n GLN 70 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 2dnt n LYS 71 N -2.53 0.71 -1.47 3.69 -0.00 -1.26 -4.99 118.16 112.30 2dnt n LYS 71 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 58.31 58.49 2dnt n LYS 71 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 35.03 34.95 2dnt n LYS 71 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2dnt n GLU 72 N -0.85 -3.28 0.42 -1.58 1.02 -1.26 -4.58 120.64 110.52 2dnt n GLU 72 Ca 0.00 2.55 -0.18 0.00 -0.02 0.00 0.00 57.16 59.51 2dnt n GLU 72 Cb 0.00 -3.88 -0.09 0.00 -0.02 0.00 0.00 31.44 27.45 2dnt n GLU 72 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 2dnt h SER 73 N -1.44 -0.90 0.00 1.62 0.02 -1.94 -3.47 113.55 107.44 2dnt h SER 73 Ca -0.14 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2dnt h SER 73 Cb 1.40 0.23 0.00 0.00 0.14 0.00 0.00 62.40 64.17 2dnt h SER 73 CO 0.06 -0.59 0.00 0.61 -1.14 0.00 0.00 176.83 175.77 2dnt n GLY 74 N -1.26 1.32 3.61 -3.77 0.00 -1.26 -4.21 105.19 99.62 2dnt n GLY 74 Ca -0.14 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 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 0.00 3.70 -0.29 1.61 0.04 -1.26 -4.92 135.00 133.88 2dnt s PRO 75 Ca 0.00 1.07 -0.42 0.00 0.04 0.00 0.00 61.00 61.69 2dnt s PRO 75 Cb 0.00 -3.97 -0.18 0.00 0.04 0.00 0.00 34.50 30.38 2dnt s PRO 75 CO 0.00 -1.40 1.55 -1.13 0.04 0.00 0.00 177.00 176.06 2dnt n SER 76 N 8.38 1.49 0.00 6.66 3.41 -1.26 -4.89 113.62 127.42 2dnt n SER 76 Ca 0.16 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.91 2dnt n SER 76 Cb 0.47 -1.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 2dnt n SER 76 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dnt n SER 77 N 3.96 0.00 0.00 4.04 7.64 -1.26 -5.26 113.62 122.73 2dnt n SER 77 Ca 0.26 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.14 2dnt n SER 77 Cb 0.05 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 2dnt n SER 77 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64