#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d9n s ALA 2 N 0.00 -0.97 0.97 3.04 0.00 -1.26 -5.17 121.76 118.37 1d9n s ALA 2 Ca 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 51.96 52.09 1d9n s ALA 2 Cb 0.00 0.47 0.05 0.00 0.00 0.00 0.00 23.12 23.65 1d9n s ALA 2 CO 0.00 -0.52 0.32 0.39 0.00 0.00 0.00 175.76 175.95 1d9n n GLU 3 N 0.23 -0.28 -3.00 0.00 4.71 -1.26 -5.03 120.64 116.02 1d9n n GLU 3 Ca -0.18 -0.51 -0.22 0.00 -0.01 0.00 0.00 57.16 56.24 1d9n n GLU 3 Cb 0.61 -0.33 -0.03 0.00 -1.01 0.00 0.00 31.44 30.69 1d9n n GLU 3 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1d9n n ASP 4 N -3.20 2.83 -4.52 1.62 -0.08 -1.26 -5.05 116.55 106.89 1d9n n ASP 4 Ca 0.04 -3.36 -0.40 0.00 -1.51 0.00 0.00 54.79 49.57 1d9n n ASP 4 Cb 0.14 -0.58 -0.08 0.00 2.34 0.00 0.00 41.12 42.94 1d9n n ASP 4 CO 0.00 0.00 0.00 0.79 0.12 0.00 0.00 177.20 178.11 1d9n n TRP 5 N -0.03 1.13 -4.15 -0.67 7.02 -1.26 -4.59 117.44 114.88 1d9n n TRP 5 Ca 0.28 0.23 -0.31 0.00 -1.02 0.00 0.00 57.50 56.68 1d9n n TRP 5 Cb 0.54 -2.53 -0.08 0.00 -2.42 0.00 0.00 31.31 26.83 1d9n n TRP 5 CO 0.00 0.00 0.00 -0.48 -2.02 0.00 0.00 177.69 175.19 1d9n s LEU 6 N 10.44 3.64 0.04 -0.99 2.34 -1.00 -4.88 118.68 128.26 1d9n s LEU 6 Ca 1.14 -0.04 -0.38 0.00 0.06 0.00 0.00 54.13 54.91 1d9n s LEU 6 Cb -0.66 -2.24 -0.18 0.00 -0.56 0.00 0.00 46.19 42.54 1d9n s LEU 6 CO 0.37 0.22 1.20 0.47 -1.06 0.00 0.00 176.35 177.55 1d9n n ASP 7 N 0.85 0.76 -4.58 1.48 8.00 -1.26 -1.63 116.55 120.17 1d9n n ASP 7 Ca -0.11 1.14 -0.42 0.00 0.71 0.00 0.00 54.79 56.10 1d9n n ASP 7 Cb 0.52 -1.05 -0.05 0.00 -0.02 0.00 0.00 41.12 40.53 1d9n n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1d9n h PRO 9 N 8.61 0.11 -1.37 0.00 0.13 -1.89 -0.48 132.00 137.11 1d9n h PRO 9 Ca -0.24 -0.19 0.45 0.00 -0.87 0.00 0.00 66.00 65.15 1d9n h PRO 9 Cb 1.09 0.07 -0.13 0.00 0.13 0.00 0.00 31.00 32.16 1d9n h PRO 9 CO 0.94 1.09 0.89 0.00 -0.23 0.00 0.00 178.00 180.69 1d9n h ALA 10 N 0.00 2.82 0.00 -0.56 0.00 -1.92 -3.15 119.26 116.47 1d9n h ALA 10 Ca -0.07 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1d9n h ALA 10 Cb 1.25 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1d9n h ALA 10 CO 0.04 -1.46 -0.28 1.28 0.00 0.00 0.00 179.25 178.83 1d9n n LEU 11 N -4.65 0.69 0.00 0.00 4.77 -1.25 -4.92 117.00 111.63 1d9n n LEU 11 Ca 0.38 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1d9n n LEU 11 Cb 1.49 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 42.12 1d9n n LEU 11 CO 0.22 -0.47 0.00 0.61 -1.33 0.00 0.00 177.39 176.42 1d9n n GLY 12 N 2.10 -0.09 3.82 -0.72 0.00 -0.19 -4.98 105.19 105.14 1d9n n GLY 12 Ca -0.04 -1.07 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 1d9n n GLY 12 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1d9n s PRO 13 N -2.00 3.77 0.00 1.61 0.04 -1.26 -3.68 135.00 133.48 1d9n s PRO 13 Ca 0.00 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1d9n s PRO 13 Cb 0.00 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1d9n s PRO 13 CO 0.00 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 177.02 1d9n n GLY 14 N -1.15 3.01 3.78 0.56 0.00 -1.26 -5.00 105.19 105.12 1d9n n GLY 14 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1d9n n GLY 14 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1d9n s TRP 15 N -1.77 3.49 -0.29 1.61 -0.11 -1.24 -2.87 118.94 117.76 1d9n s TRP 15 Ca 0.00 0.48 -0.08 0.00 1.22 0.00 0.00 56.10 57.72 1d9n s TRP 15 Cb 0.00 -2.15 -0.01 0.00 -1.50 0.00 0.00 33.47 29.81 1d9n s TRP 15 CO 0.00 0.42 0.11 0.15 -4.62 0.00 0.00 176.95 173.02 1d9n s LYS 16 N -0.09 3.39 -0.57 5.86 -0.14 -0.92 -2.20 119.74 125.08 1d9n s LYS 16 Ca 0.13 -0.67 -0.22 0.00 -1.36 0.00 0.00 55.97 53.85 1d9n s LYS 16 Cb -0.12 -3.45 0.06 0.00 -1.68 0.00 0.00 37.83 32.64 1d9n s LYS 16 CO 0.02 -0.35 0.83 0.50 -0.76 0.00 0.00 175.35 175.59 1d9n s ARG 17 N 1.59 3.19 -0.06 1.68 6.06 -0.65 -2.05 118.95 128.72 1d9n s ARG 17 Ca 0.05 -0.69 -0.10 0.00 -2.50 0.00 0.00 55.73 52.49 1d9n s ARG 17 Cb -0.16 -4.13 -0.05 0.00 0.06 0.00 0.00 34.95 30.67 1d9n s ARG 17 CO 0.05 -1.49 0.26 0.50 -2.50 0.00 0.00 175.30 172.12 1d9n s ARG 18 N 3.45 3.64 -0.02 5.12 3.52 0.13 -2.36 118.95 132.43 1d9n s ARG 18 Ca 0.22 0.08 0.00 0.00 -0.13 0.00 0.00 55.73 55.91 1d9n s ARG 18 Cb -0.17 -3.19 0.02 0.00 -1.56 0.00 0.00 34.95 30.06 1d9n s ARG 18 CO 0.14 0.73 0.00 -1.83 -0.81 0.00 0.00 175.30 173.53 1d9n s GLU 19 N -1.15 0.19 -0.16 5.12 -1.05 -1.26 -0.96 118.70 119.43 1d9n s GLU 19 Ca 0.20 0.06 0.17 0.00 -0.15 0.00 0.00 54.97 55.25 1d9n s GLU 19 Cb -0.14 -0.34 0.77 0.00 -0.44 0.00 0.00 34.13 33.98 1d9n s GLU 19 CO 0.09 -0.09 1.68 0.28 0.95 0.00 0.00 175.26 178.17 1d9n n VAL 20 N 3.84 2.21 0.00 1.83 0.31 -0.94 -4.46 118.33 121.12 1d9n n VAL 20 Ca -0.23 -1.27 0.00 0.00 -0.01 0.00 0.00 64.34 62.83 1d9n n VAL 20 Cb 0.53 -0.04 0.00 0.00 -0.91 0.00 0.00 33.84 33.41 1d9n n VAL 20 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1d9n n PHE 21 N 0.94 0.00 -3.89 3.52 7.35 -1.26 -4.62 117.46 119.50 1d9n n PHE 21 Ca 0.27 0.00 -0.30 0.00 -0.76 0.00 0.00 57.45 56.65 1d9n n PHE 21 Cb 1.02 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.82 1d9n n PHE 21 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1d9n n ARG 22 N 0.00 -2.46 -3.29 -4.13 3.00 -1.26 -3.16 116.66 105.36 1d9n n ARG 22 Ca 0.00 0.28 -0.43 0.00 -0.01 0.00 0.00 57.85 57.70 1d9n n ARG 22 Cb 0.00 -4.94 -0.01 0.00 0.00 0.00 0.00 32.46 27.51 1d9n n ARG 22 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1d9n n LYS 23 N -3.88 3.64 -3.54 5.56 4.81 -1.07 -3.84 118.16 119.84 1d9n n LYS 23 Ca 0.06 -4.50 -0.19 0.00 -0.87 0.00 0.00 58.31 52.81 1d9n n LYS 23 Cb 0.49 -2.51 -0.01 0.00 0.02 0.00 0.00 35.03 33.02 1d9n n LYS 23 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1d9n s SER 24 N 0.13 5.90 0.22 3.14 0.15 -1.26 -5.00 113.70 116.98 1d9n s SER 24 Ca 0.31 -0.21 -0.08 0.00 0.70 0.00 0.00 55.95 56.67 1d9n s SER 24 Cb -0.05 -1.23 0.19 0.00 -1.71 0.00 0.00 66.02 63.22 1d9n s SER 24 CO -0.03 -0.40 1.85 1.23 1.20 0.00 0.00 173.24 177.09 1d9n h GLY 25 N 0.96 1.27 -1.37 9.45 0.00 -1.96 -3.43 103.07 107.99 1d9n h GLY 25 Ca -0.46 -0.56 -0.46 0.00 0.00 0.00 0.00 47.33 45.85 1d9n h GLY 25 CO 0.54 0.54 -0.50 0.00 0.00 0.00 0.00 176.54 177.12 1d9n n ALA 26 N -2.38 -3.26 -1.03 3.60 0.00 -1.26 -4.88 120.51 111.29 1d9n n ALA 26 Ca 0.09 -1.13 -0.03 0.00 0.00 0.00 0.00 53.44 52.37 1d9n n ALA 26 Cb 0.08 -1.79 0.33 0.00 0.00 0.00 0.00 19.45 18.07 1d9n n ALA 26 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1d9n n THR 27 N -4.57 2.90 0.11 0.00 -2.24 -1.26 -4.60 114.28 104.62 1d9n n THR 27 Ca 0.03 -1.62 -0.13 0.00 -2.27 0.00 0.00 64.05 60.06 1d9n n THR 27 Cb 0.57 -0.34 -0.06 0.00 -2.10 0.00 0.00 70.33 68.40 1d9n n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1d9n n GLY 29 N -1.42 1.49 0.34 0.00 0.00 -1.26 -5.11 105.19 99.23 1d9n n GLY 29 Ca -0.06 -1.33 -0.04 0.00 0.00 0.00 0.00 46.02 44.58 1d9n n GLY 29 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1d9n n ARG 30 N -0.47 0.24 -3.64 1.61 3.00 -1.25 -4.59 116.66 111.56 1d9n n ARG 30 Ca -0.05 0.10 -0.02 0.00 -0.00 0.00 0.00 57.85 57.87 1d9n n ARG 30 Cb 0.50 -0.88 -0.07 0.00 0.00 0.00 0.00 32.46 32.02 1d9n n ARG 30 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1d9n s SER 31 N -5.37 -0.50 0.29 6.15 1.04 -1.19 -2.59 113.70 111.53 1d9n s SER 31 Ca -0.13 0.81 -0.28 0.00 0.48 0.00 0.00 55.95 56.82 1d9n s SER 31 Cb 0.02 1.20 -0.09 0.00 0.10 0.00 0.00 66.02 67.24 1d9n s SER 31 CO 0.20 -0.13 0.96 -1.81 0.98 0.00 0.00 173.24 173.44 1d9n s ASP 32 N 1.31 7.43 -0.44 7.02 1.01 -1.26 -4.73 116.67 127.00 1d9n s ASP 32 Ca -0.09 1.93 0.02 0.00 0.71 0.00 0.00 52.55 55.12 1d9n s ASP 32 Cb -0.04 -2.60 0.13 0.00 1.01 0.00 0.00 42.92 41.43 1d9n s ASP 32 CO -0.15 -0.01 0.23 0.42 0.21 0.00 0.00 175.17 175.87 1d9n s THR 33 N -1.41 1.63 -0.10 -1.27 -4.23 -1.26 -2.21 115.64 106.79 1d9n s THR 33 Ca 0.46 -2.62 -0.07 0.00 -1.18 0.00 0.00 61.69 58.28 1d9n s THR 33 Cb -0.23 -2.15 -0.04 0.00 1.34 0.00 0.00 72.50 71.43 1d9n s THR 33 CO 0.29 -0.85 0.16 -0.31 -0.54 0.00 0.00 174.62 173.36 1d9n s TYR 34 N 0.33 3.60 0.25 3.99 2.02 -0.13 -4.77 117.35 122.63 1d9n s TYR 34 Ca 0.17 0.53 0.11 0.00 -0.37 0.00 0.00 57.07 57.51 1d9n s TYR 34 Cb -0.24 -1.94 -0.05 0.00 -0.40 0.00 0.00 41.96 39.33 1d9n s TYR 34 CO -0.01 0.73 -0.12 0.71 -1.57 0.00 0.00 175.55 175.28 1d9n s TYR 35 N -1.06 2.49 -0.04 2.71 2.02 -0.50 0.22 117.35 123.18 1d9n s TYR 35 Ca 0.17 -0.28 -0.01 0.00 -0.37 0.00 0.00 57.07 56.58 1d9n s TYR 35 Cb -0.12 -1.13 0.03 0.00 -0.40 0.00 0.00 41.96 40.33 1d9n s TYR 35 CO 0.06 0.62 0.04 -1.14 -1.57 0.00 0.00 175.55 173.56 1d9n s GLN 36 N -3.33 0.10 1.02 -0.62 0.74 -0.87 -1.53 119.66 115.17 1d9n s GLN 36 Ca 0.28 0.28 -0.15 0.00 0.05 0.00 0.00 55.36 55.82 1d9n s GLN 36 Cb -0.07 -0.58 0.20 0.00 1.10 0.00 0.00 33.01 33.66 1d9n s GLN 36 CO 0.16 -0.29 1.16 -1.54 -0.55 0.00 0.00 175.29 174.22 1d9n s SER 37 N 1.93 2.57 0.00 6.67 1.04 0.14 -2.16 113.70 123.89 1d9n s SER 37 Ca 0.02 0.77 0.01 0.00 0.48 0.00 0.00 55.95 57.24 1d9n s SER 37 Cb -0.12 -1.17 0.06 0.00 0.10 0.00 0.00 66.02 64.88 1d9n s SER 37 CO -0.03 -3.12 1.01 -0.81 0.98 0.00 0.00 173.24 171.26 1d9n n PRO 38 N -4.11 0.97 -0.02 4.02 -0.04 -1.14 -3.11 135.00 131.57 1d9n n PRO 38 Ca 0.10 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.58 1d9n n PRO 38 Cb 0.59 -1.01 0.04 0.00 -0.04 0.00 0.00 33.50 33.07 1d9n n PRO 38 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1d9n n THR 39 N -0.51 1.21 -0.73 0.52 -2.24 -1.26 -4.95 114.28 106.32 1d9n n THR 39 Ca 0.01 -1.31 0.00 0.00 -2.27 0.00 0.00 64.05 60.48 1d9n n THR 39 Cb 0.00 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 1d9n n THR 39 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1d9n n GLY 40 N -0.73 0.56 3.53 3.38 0.00 -1.18 -5.03 105.19 105.72 1d9n n GLY 40 Ca 0.04 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 1d9n n GLY 40 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1d9n s ASP 41 N -2.65 6.18 -0.11 1.61 2.15 -1.26 -4.91 116.67 117.68 1d9n s ASP 41 Ca 0.00 -0.34 -0.02 0.00 0.43 0.00 0.00 52.55 52.62 1d9n s ASP 41 Cb 0.00 -2.20 -0.03 0.00 -0.30 0.00 0.00 42.92 40.39 1d9n s ASP 41 CO 0.00 -0.39 -0.03 0.00 -0.17 0.00 0.00 175.17 174.59 1d9n s ARG 42 N 2.02 3.22 0.06 4.34 3.03 -1.26 0.28 118.95 130.64 1d9n s ARG 42 Ca 0.11 -0.47 0.00 0.00 2.03 0.00 0.00 55.73 57.40 1d9n s ARG 42 Cb -0.17 -2.81 -0.03 0.00 -1.03 0.00 0.00 34.95 30.91 1d9n s ARG 42 CO 0.12 0.51 -0.05 0.42 -1.13 0.00 0.00 175.30 175.17 1d9n s ILE 43 N -0.37 0.37 0.00 4.99 1.09 -0.58 -4.99 121.20 121.72 1d9n s ILE 43 Ca 0.06 -1.57 0.00 0.00 -1.10 0.00 0.00 60.65 58.04 1d9n s ILE 43 Cb -0.12 -1.20 0.00 0.00 -1.06 0.00 0.00 42.46 40.08 1d9n s ILE 43 CO 0.02 -0.78 0.86 0.54 -0.10 0.00 0.00 174.94 175.48 1d9n n ARG 44 N 0.54 0.00 0.00 2.79 1.74 -1.26 -1.41 116.66 119.05 1d9n n ARG 44 Ca -0.17 -0.85 0.00 0.00 -0.77 0.00 0.00 57.85 56.06 1d9n n ARG 44 Cb 0.59 -0.48 0.00 0.00 -1.02 0.00 0.00 32.46 31.55 1d9n n ARG 44 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1d9n n SER 45 N 0.00 0.00 0.00 0.55 7.64 -1.26 -4.96 113.62 115.59 1d9n n SER 45 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1d9n n SER 45 Cb 0.65 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 1d9n n SER 45 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1d9n n LYS 46 N -0.30 0.00 0.12 1.43 4.81 -1.26 -4.78 118.16 118.19 1d9n n LYS 46 Ca 0.00 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.54 1d9n n LYS 46 Cb 0.00 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.08 1d9n n LYS 46 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1d9n h VAL 47 N 0.00 0.07 -0.28 3.15 2.07 -1.94 -2.55 116.25 116.76 1d9n h VAL 47 Ca 0.00 -1.13 -0.11 0.00 0.82 0.00 0.00 66.70 66.28 1d9n h VAL 47 Cb 0.00 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1d9n h VAL 47 CO 0.00 0.04 -0.26 -0.33 0.02 0.00 0.00 177.57 177.04 1d9n h GLU 48 N 0.00 0.68 0.00 1.57 5.08 -1.97 0.16 114.58 120.10 1d9n h GLU 48 Ca -0.01 -0.35 -0.19 0.00 -1.00 0.00 0.00 59.36 57.80 1d9n h GLU 48 Cb 1.06 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1d9n h GLU 48 CO 0.01 0.96 -0.87 1.37 -1.00 0.00 0.00 179.01 179.48 1d9n h LEU 49 N 0.41 0.24 -0.53 1.33 8.10 -1.94 -2.27 115.31 120.66 1d9n h LEU 49 Ca 0.05 -0.20 -0.04 0.00 0.11 0.00 0.00 57.88 57.80 1d9n h LEU 49 Cb 0.82 -0.07 -0.02 0.00 -0.44 0.00 0.00 40.66 40.95 1d9n h LEU 49 CO 0.07 1.00 0.17 0.00 -4.11 0.00 0.00 178.44 175.56 1d9n h THR 50 N 0.10 1.23 0.00 0.15 1.03 -1.29 -0.99 112.91 113.14 1d9n h THR 50 Ca -0.04 -0.78 -0.04 0.00 -0.01 0.00 0.00 66.41 65.53 1d9n h THR 50 Cb 1.49 0.74 -0.01 0.00 -1.07 0.00 0.00 68.15 69.31 1d9n h THR 50 CO 0.13 0.29 -0.20 0.03 -0.01 0.00 0.00 175.52 175.76 1d9n h ARG 51 N 0.73 0.00 0.43 0.00 2.47 -0.61 -1.76 114.38 115.64 1d9n h ARG 51 Ca 0.17 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.87 1d9n h ARG 51 Cb 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.60 1d9n h ARG 51 CO -0.01 0.20 -0.21 -0.92 0.56 0.00 0.00 179.97 179.60 1d9n h TYR 52 N 0.00 -0.53 -0.01 3.04 3.20 -0.60 -3.30 116.97 118.76 1d9n h TYR 52 Ca -0.00 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.89 1d9n h TYR 52 Cb 0.45 0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.85 1d9n h TYR 52 CO 0.00 -0.33 -0.27 -0.07 -1.64 0.00 0.00 178.16 175.85 1d9n h LEU 53 N -0.89 -0.80 0.00 2.82 4.07 -1.29 -3.49 115.31 115.74 1d9n h LEU 53 Ca -0.06 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.01 1d9n h LEU 53 Cb 0.44 0.33 0.00 0.00 1.08 0.00 0.00 40.66 42.51 1d9n h LEU 53 CO 0.10 -0.33 0.00 0.61 -1.08 0.00 0.00 178.44 177.73 1d9n n GLY 54 N -1.38 0.84 0.00 0.83 0.00 -0.67 -4.79 105.19 100.02 1d9n n GLY 54 Ca -0.05 -1.83 0.13 0.00 0.00 0.00 0.00 46.02 44.28 1d9n n GLY 54 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1d9n n PRO 55 N 0.00 0.33 0.18 1.61 -0.04 -1.26 -3.18 135.00 132.63 1d9n n PRO 55 Ca 0.00 0.03 0.06 0.00 -0.04 0.00 0.00 63.50 63.55 1d9n n PRO 55 Cb 0.00 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.10 1d9n n PRO 55 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1d9n h ALA 56 N 3.24 0.82 -3.20 0.55 0.00 -1.91 -3.40 119.26 115.36 1d9n h ALA 56 Ca 0.00 -0.30 -0.60 0.00 0.00 0.00 0.00 54.91 54.01 1d9n h ALA 56 Cb 0.30 -0.05 -0.40 0.00 0.00 0.00 0.00 17.79 17.63 1d9n h ALA 56 CO 0.00 0.41 -0.75 0.00 0.00 0.00 0.00 179.25 178.91 1d9n s ASP 58 N 1.27 6.61 -0.01 0.00 1.01 -1.26 -4.54 116.67 119.76 1d9n s ASP 58 Ca 0.11 0.80 0.01 0.00 0.71 0.00 0.00 52.55 54.18 1d9n s ASP 58 Cb -0.19 -2.18 0.01 0.00 1.01 0.00 0.00 42.92 41.58 1d9n s ASP 58 CO -0.18 0.05 0.86 0.18 0.21 0.00 0.00 175.17 176.30 1d9n n LEU 59 N 0.33 0.14 -0.15 1.23 4.32 -1.26 -4.81 117.00 116.80 1d9n n LEU 59 Ca -0.03 -0.82 -0.03 0.00 -0.02 0.00 0.00 56.01 55.10 1d9n n LEU 59 Cb 0.52 -0.02 0.03 0.00 -1.62 0.00 0.00 43.42 42.33 1d9n n LEU 59 CO 0.45 0.20 0.76 0.74 -1.22 0.00 0.00 177.39 178.32 1d9n h THR 60 N 5.42 0.49 -0.69 -5.08 2.02 -1.93 -0.28 112.91 112.85 1d9n h THR 60 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1d9n h THR 60 Cb 1.25 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 1d9n h THR 60 CO 0.00 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.07 1d9n n LEU 61 N -5.36 4.15 -4.71 2.58 7.99 -1.26 -4.95 117.00 115.43 1d9n n LEU 61 Ca 0.04 -2.13 -0.42 0.00 -0.01 0.00 0.00 56.01 53.49 1d9n n LEU 61 Cb 0.27 -0.51 -0.03 0.00 -0.11 0.00 0.00 43.42 43.04 1d9n n LEU 61 CO 0.11 0.93 1.08 0.12 -1.51 0.00 0.00 177.39 178.12 1d9n s PHE 62 N -1.24 3.20 -0.63 -1.77 5.36 -0.12 -4.05 117.98 118.72 1d9n s PHE 62 Ca 0.49 0.92 -0.26 0.00 -0.96 0.00 0.00 56.93 57.11 1d9n s PHE 62 Cb 0.27 -3.70 0.04 0.00 -0.34 0.00 0.00 43.02 39.29 1d9n s PHE 62 CO 0.30 -2.46 1.14 0.34 -1.46 0.00 0.00 175.22 173.08 1d9n s ASP 63 N 1.17 6.30 -0.56 6.13 2.15 0.12 -4.90 116.67 127.08 1d9n s ASP 63 Ca 0.65 -0.29 -0.20 0.00 0.43 0.00 0.00 52.55 53.14 1d9n s ASP 63 Cb -0.37 -2.51 -0.18 0.00 -0.30 0.00 0.00 42.92 39.56 1d9n s ASP 63 CO 0.30 -1.53 1.81 0.33 -0.17 0.00 0.00 175.17 175.90 1d9n n PHE 64 N 8.44 1.22 0.00 -5.34 7.35 -1.26 -1.65 117.46 126.22 1d9n n PHE 64 Ca 0.04 -1.43 0.00 0.00 -0.76 0.00 0.00 57.45 55.30 1d9n n PHE 64 Cb 0.48 -1.40 0.00 0.00 0.35 0.00 0.00 39.48 38.92 1d9n n PHE 64 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1d9n n LYS 65 N 6.66 0.00 -0.10 -4.13 0.00 -1.26 -4.62 118.16 114.71 1d9n n LYS 65 Ca 0.44 0.00 -0.24 0.00 0.00 0.00 0.00 58.31 58.52 1d9n n LYS 65 Cb 0.34 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 35.25 1d9n n LYS 65 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1d9n n GLN 66 N 0.00 0.62 0.00 1.64 7.27 -0.66 -4.91 117.38 121.35 1d9n n GLN 66 Ca 0.00 0.34 0.00 0.00 0.07 0.00 0.00 57.00 57.41 1d9n n GLN 66 Cb 0.00 -1.61 0.00 0.00 2.41 0.00 0.00 30.24 31.04 1d9n n GLN 66 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1d9n n GLY 67 N 1.63 1.99 3.13 1.69 0.00 -0.98 -5.05 105.19 107.60 1d9n n GLY 67 Ca -0.42 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.52 1d9n n GLY 67 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1d9n s ILE 68 N -2.00 0.17 0.18 -0.61 -5.25 -1.26 -4.20 121.20 108.22 1d9n s ILE 68 Ca 0.00 -1.77 -0.13 0.00 -0.99 0.00 0.00 60.65 57.76 1d9n s ILE 68 Cb 0.00 -1.69 0.01 0.00 2.95 0.00 0.00 42.46 43.73 1d9n s ILE 68 CO 0.00 -0.76 0.41 -1.48 -1.79 0.00 0.00 174.94 171.32 1d9n s LEU 69 N -2.96 0.51 -0.27 0.37 2.34 -1.26 0.12 118.68 117.52 1d9n s LEU 69 Ca 0.13 -0.66 -0.02 0.00 0.06 0.00 0.00 54.13 53.64 1d9n s LEU 69 Cb 0.07 1.69 0.16 0.00 -0.56 0.00 0.00 46.19 47.55 1d9n s LEU 69 CO -0.06 -0.97 0.48 0.00 -1.06 0.00 0.00 176.35 174.74 1d9n n TYR 71 N 5.39 -0.85 -1.82 0.00 9.36 -1.26 -4.68 117.16 123.31 1d9n n TYR 71 Ca -0.03 -3.33 -0.30 0.00 3.32 0.00 0.00 57.90 57.57 1d9n n TYR 71 Cb 0.50 0.11 0.05 0.00 -0.63 0.00 0.00 39.34 39.38 1d9n n TYR 71 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1d9n s PRO 72 N -0.31 2.73 0.13 2.98 0.04 -1.26 -5.09 135.00 134.22 1d9n s PRO 72 Ca 0.34 0.50 0.04 0.00 0.04 0.00 0.00 61.00 61.92 1d9n s PRO 72 Cb 0.08 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 1d9n s PRO 72 CO -0.17 -1.14 -0.10 0.00 0.04 0.00 0.00 177.00 175.63 1d9n s ALA 73 N -3.32 1.37 0.00 8.56 0.00 -1.26 -5.10 121.76 122.01 1d9n s ALA 73 Ca 0.59 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 51.13 1d9n s ALA 73 Cb -0.12 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.05 1d9n s ALA 73 CO 0.52 -0.08 0.07 -0.35 0.00 0.00 0.00 175.76 175.91 1d9n n PRO 74 N -0.02 0.00 -0.59 0.00 -0.04 -1.26 -5.37 135.00 127.73 1d9n n PRO 74 Ca -0.12 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1d9n n PRO 74 Cb 0.60 -0.79 0.00 0.00 -0.04 0.00 0.00 33.50 33.27 1d9n n PRO 74 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09