#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 0.00 -1.92 1.61 7.64 -1.26 -4.80 113.62 114.90 2dnt n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2dnt n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 2.33 -8.62 0.00 6.43 2.88 -1.26 -5.06 113.62 110.32 2dnt n SER 3 Ca 0.00 1.28 0.00 0.00 -1.33 0.00 0.00 58.87 58.82 2dnt n SER 3 Cb 0.00 -4.78 0.00 0.00 -0.75 0.00 0.00 64.21 58.68 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 1.49 1.77 0.96 0.46 0.00 -1.26 -5.12 105.19 103.48 2dnt n GLY 4 Ca 0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 46.02 45.42 2dnt n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dnt n SER 5 N 0.00 1.11 -3.78 1.61 2.88 -1.26 -5.11 113.62 109.07 2dnt n SER 5 Ca 0.00 0.15 -0.13 0.00 -1.33 0.00 0.00 58.87 57.56 2dnt n SER 5 Cb 0.00 -0.35 -0.09 0.00 -0.75 0.00 0.00 64.21 63.02 2dnt n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dnt s SER 6 N -5.91 -0.15 -0.30 -3.46 0.01 -1.26 -5.16 113.70 97.47 2dnt s SER 6 Ca -0.03 0.03 -0.19 0.00 1.31 0.00 0.00 55.95 57.07 2dnt s SER 6 Cb 0.00 0.29 0.20 0.00 0.21 0.00 0.00 66.02 66.73 2dnt s SER 6 CO 0.04 -0.44 1.32 -0.83 0.41 0.00 0.00 173.24 173.74 2dnt s GLY 7 N -1.36 0.52 0.14 3.44 0.00 -1.26 -5.08 107.32 103.72 2dnt s GLY 7 Ca -0.14 3.71 0.00 0.00 0.00 0.00 0.00 44.72 48.29 2dnt s GLY 7 CO 0.04 2.46 0.00 -0.13 0.00 0.00 0.00 173.10 175.47 2dnt n MET 8 N 2.55 0.00 -1.68 2.90 1.56 -1.26 -5.11 117.12 116.08 2dnt n MET 8 Ca -0.15 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 56.86 2dnt n MET 8 Cb 0.56 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 35.90 2dnt n MET 8 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2dnt s ALA 9 N -2.00 3.66 -0.30 -5.12 0.00 -1.26 -4.94 121.76 111.80 2dnt s ALA 9 Ca 0.00 1.38 -0.09 0.00 0.00 0.00 0.00 51.96 53.26 2dnt s ALA 9 Cb 0.00 -3.81 0.15 0.00 0.00 0.00 0.00 23.12 19.45 2dnt s ALA 9 CO 0.00 -1.43 0.68 0.45 0.00 0.00 0.00 175.76 175.46 2dnt s SER 10 N 3.73 -1.13 -0.50 0.00 0.15 -1.26 -5.03 113.70 109.67 2dnt s SER 10 Ca 0.86 1.32 0.03 0.00 0.70 0.00 0.00 55.95 58.85 2dnt s SER 10 Cb -0.44 2.19 0.56 0.00 -1.71 0.00 0.00 66.02 66.62 2dnt s SER 10 CO 0.40 -0.21 1.86 -0.62 1.20 0.00 0.00 173.24 175.86 2dnt n GLU 11 N 5.40 2.42 -1.32 5.44 4.71 -1.26 -4.99 120.64 131.03 2dnt n GLU 11 Ca -0.09 -3.20 -0.29 0.00 -0.01 0.00 0.00 57.16 53.58 2dnt n GLU 11 Cb 0.50 -2.18 0.16 0.00 -1.01 0.00 0.00 31.44 28.91 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 -3.50 0.66 -0.06 3.49 2.02 -1.26 -4.99 118.70 115.07 2dnt s GLU 12 Ca 0.58 0.39 -0.25 0.00 0.02 0.00 0.00 54.97 55.71 2dnt s GLU 12 Cb 0.48 -1.77 -0.20 0.00 0.10 0.00 0.00 34.13 32.73 2dnt s GLU 12 CO 0.05 -2.54 1.05 1.37 0.02 0.00 0.00 175.26 175.21 2dnt h LEU 13 N -1.75 -0.05 0.00 1.80 -0.00 -2.00 -3.48 115.31 109.82 2dnt h LEU 13 Ca -0.53 -0.57 0.00 0.00 -0.00 0.00 0.00 57.88 56.78 2dnt h LEU 13 Cb 1.33 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 42.01 2dnt h LEU 13 CO 0.60 0.57 0.00 -1.22 -0.00 0.00 0.00 178.44 178.39 2dnt n TYR 14 N -4.82 -0.29 -3.74 0.17 4.02 -1.26 -5.15 117.16 106.10 2dnt n TYR 14 Ca -0.09 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.45 2dnt n TYR 14 Cb 0.30 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.55 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 -1.16 4.06 0.14 -0.72 2.12 -1.26 -5.04 118.70 116.83 2dnt s GLU 15 Ca 0.00 -0.16 -0.32 0.00 0.36 0.00 0.00 54.97 54.85 2dnt s GLU 15 Cb 0.00 -3.38 -0.11 0.00 0.26 0.00 0.00 34.13 30.90 2dnt s GLU 15 CO 0.00 0.39 1.80 0.28 -0.54 0.00 0.00 175.26 177.19 2dnt n VAL 16 N 3.22 0.27 -0.07 3.70 0.31 -1.26 -4.86 118.33 119.64 2dnt n VAL 16 Ca -0.16 -0.05 -0.20 0.00 -0.01 0.00 0.00 64.34 63.92 2dnt n VAL 16 Cb 0.53 -2.05 -0.12 0.00 -0.91 0.00 0.00 33.84 31.28 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 8.03 0.05 0.00 5.55 4.81 -1.95 -3.51 114.58 127.56 2dnt h GLU 17 Ca -0.46 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 2dnt h GLU 17 Cb 1.22 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2dnt h GLU 17 CO 0.95 1.04 0.00 2.89 -0.73 0.00 0.00 179.01 183.16 2dnt n ARG 18 N -4.35 0.00 -3.47 1.92 1.85 -1.26 -5.01 116.66 106.34 2dnt n ARG 18 Ca -0.26 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.22 2dnt n ARG 18 Cb 0.69 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 32.03 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 -0.43 8.89 -1.09 -1.26 -2.91 121.20 127.66 2dnt s ILE 19 Ca 0.00 0.64 0.12 0.00 -2.23 0.00 0.00 60.65 59.18 2dnt s ILE 19 Cb 0.00 -3.68 -0.15 0.00 -1.58 0.00 0.00 42.46 37.05 2dnt s ILE 19 CO 0.00 0.34 0.46 1.33 -1.23 0.00 0.00 174.94 175.84 2dnt n VAL 20 N 3.80 0.00 -3.74 2.92 0.24 0.34 -4.95 118.33 116.94 2dnt n VAL 20 Ca -0.10 -0.23 0.01 0.00 -2.04 0.00 0.00 64.34 61.98 2dnt n VAL 20 Cb 0.52 0.79 0.00 0.00 -1.47 0.00 0.00 33.84 33.68 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 -2.51 -0.04 -0.28 -1.34 -1.08 -1.15 -4.95 116.67 105.31 2dnt s ASP 21 Ca 0.02 -0.21 -0.23 0.00 -0.52 0.00 0.00 52.55 51.61 2dnt s ASP 21 Cb 0.09 0.21 0.09 0.00 -1.46 0.00 0.00 42.92 41.85 2dnt s ASP 21 CO 0.51 -0.39 0.82 -0.75 0.52 0.00 0.00 175.17 175.89 2dnt s LYS 22 N -2.35 0.69 0.36 4.34 2.20 -1.26 0.19 119.74 123.90 2dnt s LYS 22 Ca 0.19 0.90 -0.12 0.00 -0.36 0.00 0.00 55.97 56.57 2dnt s LYS 22 Cb 0.03 0.30 0.05 0.00 -1.51 0.00 0.00 37.83 36.69 2dnt s LYS 22 CO -0.02 -0.09 0.68 -2.13 -0.36 0.00 0.00 175.35 173.43 2dnt n ARG 23 N 2.87 0.98 -4.33 4.03 0.63 0.10 -4.96 116.66 115.99 2dnt n ARG 23 Ca -0.15 -2.11 -0.24 0.00 -0.92 0.00 0.00 57.85 54.43 2dnt n ARG 23 Cb 0.56 2.53 -0.08 0.00 0.45 0.00 0.00 32.46 35.92 2dnt n ARG 23 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2dnt s LYS 24 N -2.18 2.11 0.49 -0.14 1.02 -1.26 0.71 119.74 120.50 2dnt s LYS 24 Ca 0.16 -1.59 0.08 0.00 0.02 0.00 0.00 55.97 54.64 2dnt s LYS 24 Cb -0.04 -2.02 0.04 0.00 -0.52 0.00 0.00 37.83 35.30 2dnt s LYS 24 CO 0.12 0.27 0.67 -0.80 -0.92 0.00 0.00 175.35 174.69 2dnt s ASN 25 N -3.67 5.40 0.40 2.83 0.01 -0.08 -4.90 114.94 114.94 2dnt s ASN 25 Ca 0.33 -0.54 0.12 0.00 -0.71 0.00 0.00 52.86 52.05 2dnt s ASN 25 Cb -0.04 -0.32 0.94 0.00 0.41 0.00 0.00 41.25 42.24 2dnt s ASN 25 CO 0.19 -1.02 1.92 0.50 -1.51 0.00 0.00 177.10 177.19 2dnt h LYS 26 N 0.41 0.53 -0.01 -0.60 3.11 -2.01 0.49 116.57 118.49 2dnt h LYS 26 Ca -0.36 -0.03 -0.11 0.00 -2.81 0.00 0.00 60.65 57.34 2dnt h LYS 26 Cb 1.28 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 32.38 2dnt h LYS 26 CO 0.44 0.35 -0.49 0.87 -2.81 0.00 0.00 179.45 177.80 2dnt h LYS 27 N 0.54 0.02 0.00 1.90 1.57 -2.05 -3.46 116.57 115.08 2dnt h LYS 27 Ca 0.36 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 2dnt h LYS 27 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 2dnt h LYS 27 CO -0.13 0.51 0.00 0.41 -0.57 0.00 0.00 179.45 179.67 2dnt n GLY 28 N -0.10 1.26 3.74 3.86 0.00 0.17 -5.09 105.19 109.02 2dnt n GLY 28 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.47 4.63 0.08 1.61 -0.14 -1.26 -4.65 119.74 119.54 2dnt s LYS 29 Ca 0.00 1.68 -0.30 0.00 -1.36 0.00 0.00 55.97 55.99 2dnt s LYS 29 Cb 0.00 -3.28 -0.05 0.00 -1.68 0.00 0.00 37.83 32.82 2dnt s LYS 29 CO 0.00 0.15 1.02 0.99 -0.76 0.00 0.00 175.35 176.74 2dnt s THR 30 N -0.40 4.47 0.02 2.17 2.01 -1.26 -0.90 115.64 121.75 2dnt s THR 30 Ca 0.48 1.92 0.03 0.00 0.31 0.00 0.00 61.69 64.43 2dnt s THR 30 Cb -0.29 -4.23 -0.01 0.00 0.01 0.00 0.00 72.50 67.98 2dnt s THR 30 CO 0.35 0.24 -0.09 -1.61 -0.69 0.00 0.00 174.62 172.82 2dnt s GLU 31 N 0.40 0.63 -0.10 4.92 2.02 0.22 -2.62 118.70 124.17 2dnt s GLU 31 Ca 0.50 -0.49 0.03 0.00 0.02 0.00 0.00 54.97 55.03 2dnt s GLU 31 Cb -0.24 -0.56 0.01 0.00 0.10 0.00 0.00 34.13 33.44 2dnt s GLU 31 CO 0.30 0.14 -0.18 0.71 0.02 0.00 0.00 175.26 176.25 2dnt s TYR 32 N -0.64 2.17 -0.39 1.61 2.02 0.16 0.02 117.35 122.31 2dnt s TYR 32 Ca -0.01 -0.97 -0.29 0.00 -0.37 0.00 0.00 57.07 55.44 2dnt s TYR 32 Cb -0.06 -1.51 0.00 0.00 -0.40 0.00 0.00 41.96 40.00 2dnt s TYR 32 CO 0.00 -0.45 1.45 -1.17 -1.57 0.00 0.00 175.55 173.81 2dnt s LEU 33 N 0.72 3.61 0.06 -1.29 2.96 0.51 -2.21 118.68 123.03 2dnt s LEU 33 Ca -0.12 0.93 0.08 0.00 -0.22 0.00 0.00 54.13 54.81 2dnt s LEU 33 Cb -0.16 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.96 2dnt s LEU 33 CO 0.02 -1.43 -0.22 0.54 -1.32 0.00 0.00 176.35 173.94 2dnt s VAL 34 N 5.50 1.77 0.72 1.68 0.11 -1.16 0.13 120.40 129.15 2dnt s VAL 34 Ca 0.63 -1.30 -0.04 0.00 -2.93 0.00 0.00 61.98 58.34 2dnt s VAL 34 Cb -0.15 -1.54 0.10 0.00 -1.53 0.00 0.00 36.38 33.26 2dnt s VAL 34 CO 0.32 0.19 1.01 -0.13 -3.33 0.00 0.00 175.10 173.15 2dnt s ARG 35 N -1.33 1.82 0.12 1.54 0.52 -1.14 -3.55 118.95 116.93 2dnt s ARG 35 Ca 0.08 -0.71 -0.25 0.00 -0.52 0.00 0.00 55.73 54.33 2dnt s ARG 35 Cb -0.09 -2.24 0.07 0.00 0.52 0.00 0.00 34.95 33.21 2dnt s ARG 35 CO 0.02 -1.40 0.70 -1.58 0.02 0.00 0.00 175.30 173.06 2dnt s TRP 36 N -3.21 -0.44 0.39 -0.53 0.52 -1.26 -3.79 118.94 110.62 2dnt s TRP 36 Ca 0.64 0.23 -0.27 0.00 0.02 0.00 0.00 56.10 56.72 2dnt s TRP 36 Cb -0.07 0.57 -0.09 0.00 -1.15 0.00 0.00 33.47 32.72 2dnt s TRP 36 CO 0.45 -0.79 1.35 0.15 0.02 0.00 0.00 176.95 178.12 2dnt s LYS 37 N -3.57 4.02 0.00 4.98 1.02 -1.26 -2.45 119.74 122.49 2dnt s LYS 37 Ca 0.03 2.26 0.00 0.00 0.02 0.00 0.00 55.97 58.29 2dnt s LYS 37 Cb -0.01 -2.83 0.00 0.00 -0.52 0.00 0.00 37.83 34.46 2dnt s LYS 37 CO -0.10 -0.49 0.00 0.41 -0.92 0.00 0.00 175.35 174.26 2dnt n GLY 38 N 0.65 1.89 3.63 -3.33 0.00 -1.26 -4.96 105.19 101.80 2dnt n GLY 38 Ca 0.03 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.39 2.44 0.00 1.61 2.02 -1.02 -5.00 117.35 117.00 2dnt s TYR 39 Ca 0.00 0.73 0.00 0.00 -0.37 0.00 0.00 57.07 57.43 2dnt s TYR 39 Cb 0.00 -3.92 0.00 0.00 -0.40 0.00 0.00 41.96 37.64 2dnt s TYR 39 CO 0.00 -2.24 0.00 -0.25 -1.57 0.00 0.00 175.55 171.49 2dnt n ASP 40 N 7.91 0.00 -0.03 2.29 9.92 -1.26 -4.57 116.55 130.81 2dnt n ASP 40 Ca 0.16 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.28 2dnt n ASP 40 Cb 0.46 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.82 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 0.00 0.13 -0.40 -2.24 0.87 -1.98 -3.21 113.55 106.73 2dnt h SER 41 Ca 0.00 -0.79 -0.12 0.00 -1.23 0.00 0.00 61.79 59.65 2dnt h SER 41 Cb 0.00 -0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 61.85 2dnt h SER 41 CO 0.00 0.91 0.15 -0.62 -0.53 0.00 0.00 176.83 176.74 2dnt n GLU 42 N -4.58 2.50 -0.04 2.24 1.02 -1.26 -3.57 120.64 116.95 2dnt n GLU 42 Ca -0.10 -1.66 -0.04 0.00 -0.02 0.00 0.00 57.16 55.34 2dnt n GLU 42 Cb 0.46 -1.80 -0.07 0.00 -0.02 0.00 0.00 31.44 30.01 2dnt n GLU 42 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2dnt n ASP 43 N 0.03 2.75 -4.06 1.62 -0.08 -1.21 -5.03 116.55 110.57 2dnt n ASP 43 Ca 0.22 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 53.13 2dnt n ASP 43 Cb 0.92 0.77 0.02 0.00 2.34 0.00 0.00 41.12 45.16 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 -2.31 -4.02 -3.58 1.67 8.00 -1.22 -4.84 116.55 110.24 2dnt n ASP 44 Ca -0.14 0.54 -0.19 0.00 0.71 0.00 0.00 54.79 55.71 2dnt n ASP 44 Cb 0.77 -0.80 -0.03 0.00 -0.02 0.00 0.00 41.12 41.03 2dnt n ASP 44 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2dnt n THR 45 N -1.66 0.00 -4.07 -3.53 -2.24 -1.23 -5.02 114.28 96.53 2dnt n THR 45 Ca 0.06 -1.39 -0.32 0.00 -2.27 0.00 0.00 64.05 60.13 2dnt n THR 45 Cb 0.47 0.22 -0.16 0.00 -2.10 0.00 0.00 70.33 68.76 2dnt n THR 45 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2dnt s TRP 46 N -2.01 2.59 -0.05 4.78 0.52 -1.26 -2.97 118.94 120.54 2dnt s TRP 46 Ca 0.02 -1.56 0.04 0.00 0.02 0.00 0.00 56.10 54.62 2dnt s TRP 46 Cb -0.00 -1.79 -0.02 0.00 -1.15 0.00 0.00 33.47 30.50 2dnt s TRP 46 CO 0.01 -0.76 -0.16 -1.21 0.02 0.00 0.00 176.95 174.85 2dnt s GLU 47 N 1.35 2.48 0.21 4.98 0.41 -0.94 -4.87 118.70 122.32 2dnt s GLU 47 Ca 0.03 -0.72 -0.30 0.00 -0.41 0.00 0.00 54.97 53.57 2dnt s GLU 47 Cb -0.14 -2.35 -0.08 0.00 -1.78 0.00 0.00 34.13 29.78 2dnt s GLU 47 CO -0.11 0.61 1.11 -1.25 -0.49 0.00 0.00 175.26 175.12 2dnt s PRO 48 N -0.70 4.60 0.36 0.39 0.04 -1.26 0.40 135.00 138.83 2dnt s PRO 48 Ca 0.11 1.76 0.17 0.00 0.04 0.00 0.00 61.00 63.07 2dnt s PRO 48 Cb -0.11 -3.25 1.22 0.00 0.04 0.00 0.00 34.50 32.41 2dnt s PRO 48 CO 0.00 0.11 1.59 1.49 0.04 0.00 0.00 177.00 180.24 2dnt h GLU 49 N 4.70 0.04 -0.69 4.56 4.81 -1.84 1.55 114.58 127.71 2dnt h GLU 49 Ca -0.45 -0.00 0.10 0.00 -0.13 0.00 0.00 59.36 58.88 2dnt h GLU 49 Cb 1.21 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 30.50 2dnt h GLU 49 CO 0.71 0.03 0.31 0.37 -0.73 0.00 0.00 179.01 179.69 2dnt h GLN 50 N 0.04 0.49 0.00 1.92 4.15 -1.91 0.36 115.11 120.17 2dnt h GLN 50 Ca 0.79 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 60.19 2dnt h GLN 50 Cb 2.01 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 29.59 2dnt h GLN 50 CO -0.77 0.33 0.00 0.45 -1.93 0.00 0.00 178.83 176.91 2dnt h HIS 51 N 0.51 0.00 -1.92 3.99 3.86 0.17 -3.32 115.15 118.44 2dnt h HIS 51 Ca 0.35 0.00 -0.78 0.00 -1.16 0.00 0.00 60.37 58.78 2dnt h HIS 51 Cb 0.43 0.00 -0.21 0.00 1.06 0.00 0.00 27.41 28.70 2dnt h HIS 51 CO -0.14 0.00 1.58 1.28 0.86 0.00 0.00 177.93 181.51 2dnt n LEU 52 N -2.85 7.13 -4.76 2.43 4.77 0.12 -4.97 117.00 118.88 2dnt n LEU 52 Ca 0.03 -5.03 -0.39 0.00 -0.03 0.00 0.00 56.01 50.59 2dnt n LEU 52 Cb 0.43 -1.32 -0.06 0.00 -2.33 0.00 0.00 43.42 40.14 2dnt n LEU 52 CO 0.30 1.79 0.67 0.68 -1.33 0.00 0.00 177.39 179.51 2dnt s VAL 53 N -1.93 4.01 -1.08 4.08 -7.23 -1.24 -2.95 120.40 114.06 2dnt s VAL 53 Ca 0.41 1.91 0.00 0.00 -1.81 0.00 0.00 61.98 62.49 2dnt s VAL 53 Cb 0.13 -4.17 0.00 0.00 0.56 0.00 0.00 36.38 32.90 2dnt s VAL 53 CO -0.02 0.37 0.00 0.59 -0.31 0.00 0.00 175.10 175.72 2dnt n ASN 54 N 1.15 -4.94 -0.00 4.85 3.02 -1.26 -4.79 115.26 113.28 2dnt n ASN 54 Ca -0.01 0.25 0.10 0.00 -0.03 0.00 0.00 54.58 54.90 2dnt n ASN 54 Cb 0.48 -3.34 -0.14 0.00 -0.61 0.00 0.00 39.78 36.17 2dnt n ASN 54 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dnt n GLU 56 N -1.86 -0.05 0.01 0.00 1.02 -1.26 0.11 120.64 118.60 2dnt n GLU 56 Ca -0.00 1.20 -0.11 0.00 -0.02 0.00 0.00 57.16 58.22 2dnt n GLU 56 Cb 0.43 -2.13 -0.05 0.00 -0.02 0.00 0.00 31.44 29.67 2dnt n GLU 56 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2dnt h GLU 57 N 0.00 -0.44 0.30 3.49 4.57 -1.97 0.71 114.58 121.25 2dnt h GLU 57 Ca 0.72 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.91 2dnt h GLU 57 Cb 1.89 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 30.58 2dnt h GLU 57 CO -0.67 -0.29 -0.15 1.88 -1.18 0.00 0.00 179.01 178.60 2dnt h TYR 58 N -0.45 -0.38 -0.92 0.92 0.05 0.53 -1.64 116.97 115.09 2dnt h TYR 58 Ca 0.08 -0.01 0.20 0.00 0.05 0.00 0.00 58.73 59.06 2dnt h TYR 58 Cb 0.59 0.13 -0.12 0.00 1.01 0.00 0.00 36.73 38.34 2dnt h TYR 58 CO -0.44 -0.15 0.47 0.82 -1.05 0.00 0.00 178.16 177.80 2dnt h ILE 59 N -0.53 0.58 -0.23 -2.88 2.04 -0.93 0.40 117.51 115.96 2dnt h ILE 59 Ca -0.04 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.64 2dnt h ILE 59 Cb 0.40 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 2dnt h ILE 59 CO 0.07 0.10 0.14 0.45 0.00 0.00 0.00 178.15 178.91 2dnt h HIS 60 N 0.53 0.29 0.00 1.37 3.86 0.77 0.69 115.15 122.67 2dnt h HIS 60 Ca 0.56 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.75 2dnt h HIS 60 Cb 0.98 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 29.35 2dnt h HIS 60 CO -0.08 0.21 -0.10 0.22 0.86 0.00 0.00 177.93 179.03 2dnt h ASP 61 N 0.29 0.00 0.89 2.45 3.58 0.44 0.45 116.42 124.52 2dnt h ASP 61 Ca 0.08 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.31 2dnt h ASP 61 Cb -0.01 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.01 2dnt h ASP 61 CO -0.02 0.10 -1.18 0.15 -2.88 0.00 0.00 179.24 175.42 2dnt h PHE 62 N 0.00 0.00 0.03 0.28 3.57 0.11 -2.68 116.94 118.25 2dnt h PHE 62 Ca -0.00 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.26 2dnt h PHE 62 Cb 0.26 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 2dnt h PHE 62 CO 0.00 0.91 -1.21 -0.91 -2.23 0.00 0.00 178.31 174.87 2dnt h ASN 63 N 0.00 0.10 1.00 0.41 2.35 0.15 -3.25 115.58 116.34 2dnt h ASN 63 Ca -0.10 -0.12 -0.12 0.00 -0.55 0.00 0.00 56.30 55.41 2dnt h ASN 63 Cb 1.78 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 40.10 2dnt h ASN 63 CO 0.10 1.10 -0.57 0.08 -1.65 0.00 0.00 177.43 176.49 2dnt h ARG 64 N 0.02 0.00 0.18 0.81 -0.00 -0.24 -3.25 114.38 111.89 2dnt h ARG 64 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.89 2dnt h ARG 64 Cb 1.86 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.82 2dnt h ARG 64 CO 0.14 0.57 -0.16 0.00 -0.00 0.00 0.00 179.97 180.52 2dnt h ARG 65 N 0.00 -0.35 0.01 0.08 2.47 -1.50 -3.22 114.38 111.87 2dnt h ARG 65 Ca -0.01 0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.74 2dnt h ARG 65 Cb 1.23 0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 29.62 2dnt h ARG 65 CO 0.07 -0.23 -0.01 1.25 0.56 0.00 0.00 179.97 181.61 2dnt h HIS 66 N -0.36 -0.04 -2.60 3.04 2.76 -1.65 -3.40 115.15 112.91 2dnt h HIS 66 Ca -0.00 0.00 -0.53 0.00 -2.20 0.00 0.00 60.37 57.64 2dnt h HIS 66 Cb 0.34 0.01 0.03 0.00 1.55 0.00 0.00 27.41 29.34 2dnt h HIS 66 CO -0.13 -0.02 1.07 0.99 -1.30 0.00 0.00 177.93 178.54 2dnt s THR 67 N -3.07 2.78 -0.15 6.26 2.01 -1.21 -4.91 115.64 117.35 2dnt s THR 67 Ca -0.00 0.25 -0.22 0.00 0.31 0.00 0.00 61.69 62.02 2dnt s THR 67 Cb 0.00 -3.16 -0.19 0.00 0.01 0.00 0.00 72.50 69.16 2dnt s THR 67 CO 0.01 -0.00 0.46 -0.33 -0.69 0.00 0.00 174.62 174.08 2dnt h GLU 68 N 8.54 0.00 0.00 4.92 5.08 -1.78 -3.45 114.58 127.89 2dnt h GLU 68 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2dnt h GLU 68 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2dnt h GLU 68 CO 0.94 0.80 0.00 1.63 -1.00 0.00 0.00 179.01 181.38 2dnt n LYS 69 N -4.59 0.00 0.11 2.33 4.76 -1.26 -3.05 118.16 116.46 2dnt n LYS 69 Ca -0.14 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.30 2dnt n LYS 69 Cb 0.46 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.65 2dnt n LYS 69 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2dnt n GLN 70 N 0.00 0.00 -1.22 1.97 6.02 -1.26 -5.16 117.38 117.73 2dnt n GLN 70 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2dnt n GLN 70 Cb 0.00 -0.15 0.00 0.00 1.02 0.00 0.00 30.24 31.11 2dnt n GLN 70 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2dnt n LYS 71 N -3.44 -3.45 -3.40 -1.09 0.00 -1.17 -5.09 118.16 100.53 2dnt n LYS 71 Ca 0.00 2.53 0.03 0.00 0.00 0.00 0.00 58.31 60.87 2dnt n LYS 71 Cb 0.01 -2.82 -0.05 0.00 0.00 0.00 0.00 35.03 32.17 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 -3.61 0.06 -0.27 1.64 -6.30 -1.26 -5.07 118.70 103.89 2dnt s GLU 72 Ca 0.00 0.12 -0.05 0.00 -2.50 0.00 0.00 54.97 52.54 2dnt s GLU 72 Cb 0.00 0.05 0.01 0.00 0.00 0.00 0.00 34.13 34.19 2dnt s GLU 72 CO 0.00 -0.02 0.21 0.45 0.02 0.00 0.00 175.26 175.92 2dnt n SER 73 N 3.94 -6.51 0.00 -1.70 2.88 -1.26 -5.08 113.62 105.89 2dnt n SER 73 Ca -0.11 0.77 0.00 0.00 -1.33 0.00 0.00 58.87 58.20 2dnt n SER 73 Cb 0.56 -4.29 0.00 0.00 -0.75 0.00 0.00 64.21 59.73 2dnt n SER 73 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dnt n GLY 74 N 0.13 0.56 3.78 0.46 0.00 -1.26 -5.10 105.19 103.76 2dnt n GLY 74 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 3.23 0.46 -0.42 1.61 0.04 -1.26 -4.58 135.00 134.08 2dnt s PRO 75 Ca 0.00 0.03 -0.24 0.00 0.04 0.00 0.00 61.00 60.83 2dnt s PRO 75 Cb 0.00 -1.78 0.03 0.00 0.04 0.00 0.00 34.50 32.79 2dnt s PRO 75 CO 0.00 -2.61 0.58 0.45 0.04 0.00 0.00 177.00 175.46 2dnt n SER 76 N -4.00 -6.96 0.17 6.66 2.88 -1.26 -4.92 113.62 106.19 2dnt n SER 76 Ca 0.10 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 2dnt n SER 76 Cb 0.59 -3.82 0.00 0.00 -0.75 0.00 0.00 64.21 60.24 2dnt n SER 76 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dnt n SER 77 N -0.16 -3.05 0.00 -3.46 3.41 -1.26 -5.14 113.62 103.96 2dnt n SER 77 Ca 0.03 0.72 0.00 0.00 -0.26 0.00 0.00 58.87 59.36 2dnt n SER 77 Cb 0.53 2.96 0.00 0.00 -0.26 0.00 0.00 64.21 67.44 2dnt n SER 77 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49