#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d9n n ALA 2 N 0.00 -0.78 -2.83 3.04 0.00 -1.26 -4.67 120.51 114.01 1d9n n ALA 2 Ca 0.00 0.10 -0.44 0.00 0.00 0.00 0.00 53.44 53.10 1d9n n ALA 2 Cb 0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 19.45 19.11 1d9n n ALA 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1d9n s GLU 3 N -1.31 3.07 0.00 0.00 2.02 -1.26 -4.71 118.70 116.51 1d9n s GLU 3 Ca 0.00 -1.09 0.00 0.00 0.02 0.00 0.00 54.97 53.90 1d9n s GLU 3 Cb 0.00 -4.12 0.00 0.00 0.10 0.00 0.00 34.13 30.11 1d9n s GLU 3 CO 0.00 -1.17 0.68 -0.25 0.02 0.00 0.00 175.26 174.54 1d9n n ASP 4 N 5.82 0.00 -2.71 -0.19 8.00 -1.26 -5.09 116.55 121.12 1d9n n ASP 4 Ca -0.09 -1.44 -0.02 0.00 0.71 0.00 0.00 54.79 53.95 1d9n n ASP 4 Cb 0.44 -0.09 -0.02 0.00 -0.02 0.00 0.00 41.12 41.44 1d9n n ASP 4 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1d9n n TRP 5 N 0.00 -1.96 -4.00 1.24 7.02 -1.26 -4.96 117.44 113.52 1d9n n TRP 5 Ca 0.00 1.15 -0.28 0.00 -1.02 0.00 0.00 57.50 57.34 1d9n n TRP 5 Cb 0.59 -2.24 -0.05 0.00 -2.42 0.00 0.00 31.31 27.19 1d9n n TRP 5 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1d9n s LEU 6 N -0.28 4.08 0.13 -0.99 1.43 -1.03 -4.89 118.68 117.14 1d9n s LEU 6 Ca -0.10 0.07 -0.35 0.00 -1.03 0.00 0.00 54.13 52.73 1d9n s LEU 6 Cb 0.01 -2.69 -0.15 0.00 0.03 0.00 0.00 46.19 43.38 1d9n s LEU 6 CO 0.26 0.11 1.38 0.47 0.23 0.00 0.00 176.35 178.80 1d9n n ASP 7 N -0.06 2.09 -4.61 2.29 8.00 -1.26 -0.64 116.55 122.35 1d9n n ASP 7 Ca -0.07 1.11 -0.43 0.00 0.71 0.00 0.00 54.79 56.11 1d9n n ASP 7 Cb 0.53 -1.28 -0.03 0.00 -0.02 0.00 0.00 41.12 40.32 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 8.53 0.00 -0.90 0.00 0.13 -1.89 -1.51 132.00 136.36 1d9n h PRO 9 Ca -0.22 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.00 1d9n h PRO 9 Cb 1.07 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.08 1d9n h PRO 9 CO 1.03 0.44 -0.49 0.00 -0.23 0.00 0.00 178.00 178.75 1d9n n ALA 10 N -2.76 -0.47 -0.04 -0.56 0.00 -1.26 -2.45 120.51 112.97 1d9n n ALA 10 Ca -0.05 0.80 -0.03 0.00 0.00 0.00 0.00 53.44 54.16 1d9n n ALA 10 Cb 0.23 -0.19 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 1d9n n ALA 10 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1d9n h LEU 11 N 0.00 -0.03 0.00 0.00 3.38 -1.92 -3.49 115.31 113.25 1d9n h LEU 11 Ca 0.18 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1d9n h LEU 11 Cb 0.41 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1d9n h LEU 11 CO -0.86 0.53 0.00 0.61 0.09 0.00 0.00 178.44 178.82 1d9n n GLY 12 N 1.65 0.29 3.74 0.83 0.00 -0.57 -5.02 105.19 106.12 1d9n n GLY 12 Ca -0.02 -1.56 -0.40 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.13 4.72 0.00 1.61 0.04 -1.26 -3.74 135.00 135.24 1d9n s PRO 13 Ca 0.00 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1d9n s PRO 13 Cb 0.00 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.26 1d9n s PRO 13 CO 0.00 0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.75 1d9n n GLY 14 N 1.70 0.98 3.17 0.56 0.00 -1.26 -5.08 105.19 105.27 1d9n n GLY 14 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.00 -0.36 -0.16 1.61 -0.11 -1.25 -3.90 118.94 112.78 1d9n s TRP 15 Ca 0.00 0.85 -0.03 0.00 1.22 0.00 0.00 56.10 58.14 1d9n s TRP 15 Cb 0.00 0.12 -0.02 0.00 -1.50 0.00 0.00 33.47 32.06 1d9n s TRP 15 CO 0.00 -0.19 -0.05 0.21 -4.62 0.00 0.00 176.95 172.30 1d9n s LYS 16 N 0.50 3.62 -0.61 5.86 2.47 -0.84 -2.13 119.74 128.60 1d9n s LYS 16 Ca -0.03 -0.54 -0.16 0.00 -1.56 0.00 0.00 55.97 53.67 1d9n s LYS 16 Cb -0.04 -2.89 0.14 0.00 -1.46 0.00 0.00 37.83 33.57 1d9n s LYS 16 CO -0.03 0.21 0.61 0.50 0.16 0.00 0.00 175.35 176.81 1d9n s ARG 17 N 0.44 3.12 -0.16 4.03 6.06 0.19 -2.13 118.95 130.51 1d9n s ARG 17 Ca -0.04 -1.74 -0.08 0.00 -2.50 0.00 0.00 55.73 51.36 1d9n s ARG 17 Cb -0.14 -4.33 -0.04 0.00 0.06 0.00 0.00 34.95 30.49 1d9n s ARG 17 CO 0.03 -1.39 0.13 0.50 -2.50 0.00 0.00 175.30 172.07 1d9n s ARG 18 N 1.66 3.80 0.22 5.12 3.52 -0.32 -2.46 118.95 130.50 1d9n s ARG 18 Ca 0.08 -0.19 0.10 0.00 -0.13 0.00 0.00 55.73 55.59 1d9n s ARG 18 Cb -0.24 -3.28 -0.04 0.00 -1.56 0.00 0.00 34.95 29.82 1d9n s ARG 18 CO 0.01 0.53 -0.09 -1.83 -0.81 0.00 0.00 175.30 173.11 1d9n s GLU 19 N -0.30 2.04 0.37 5.12 -1.05 -1.26 -0.86 118.70 122.76 1d9n s GLU 19 Ca 0.11 -1.40 0.04 0.00 -0.15 0.00 0.00 54.97 53.56 1d9n s GLU 19 Cb -0.12 -2.08 -0.04 0.00 -0.44 0.00 0.00 34.13 31.45 1d9n s GLU 19 CO 0.01 0.40 0.12 0.08 0.95 0.00 0.00 175.26 176.81 1d9n s VAL 20 N -2.01 0.68 -0.77 1.83 1.01 0.44 -4.58 120.40 117.01 1d9n s VAL 20 Ca 0.27 -2.00 0.02 0.00 0.00 0.00 0.00 61.98 60.28 1d9n s VAL 20 Cb -0.07 -2.49 0.19 0.00 0.00 0.00 0.00 36.38 34.00 1d9n s VAL 20 CO 0.16 0.00 0.59 0.12 0.00 0.00 0.00 175.10 175.97 1d9n s PHE 21 N -3.32 3.68 0.13 5.22 5.36 -1.26 -3.86 117.98 123.93 1d9n s PHE 21 Ca 0.29 -3.22 -0.32 0.00 -0.96 0.00 0.00 56.93 52.73 1d9n s PHE 21 Cb 0.05 -2.92 -0.09 0.00 -0.34 0.00 0.00 43.02 39.72 1d9n s PHE 21 CO 0.15 -0.63 1.55 -0.09 -1.46 0.00 0.00 175.22 174.75 1d9n h ARG 22 N 5.69 -0.40 -4.94 10.12 9.65 -1.89 -3.47 114.38 129.14 1d9n h ARG 22 Ca 0.14 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.05 1d9n h ARG 22 Cb 0.78 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.45 1d9n h ARG 22 CO 0.77 -0.27 -0.61 1.17 2.80 0.00 0.00 179.97 183.83 1d9n n LYS 23 N -5.39 -2.48 -3.09 0.20 0.00 -1.26 -4.98 118.16 101.16 1d9n n LYS 23 Ca -0.03 2.16 -0.23 0.00 0.00 0.00 0.00 58.31 60.20 1d9n n LYS 23 Cb 0.35 -5.03 -0.04 0.00 0.00 0.00 0.00 35.03 30.32 1d9n n LYS 23 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1d9n n SER 24 N 0.05 2.64 0.00 3.14 3.41 -1.26 -5.08 113.62 116.52 1d9n n SER 24 Ca 0.06 -3.33 0.00 0.00 -0.26 0.00 0.00 58.87 55.34 1d9n n SER 24 Cb 0.24 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 1d9n n SER 24 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1d9n n GLY 25 N 0.12 0.22 2.73 5.00 0.00 -1.26 -4.78 105.19 107.23 1d9n n GLY 25 Ca 0.28 -2.27 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 1d9n n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d9n n ALA 26 N -0.89 5.89 -3.68 4.61 0.00 -1.26 -4.81 120.51 120.37 1d9n n ALA 26 Ca 0.00 -4.32 -0.29 0.00 0.00 0.00 0.00 53.44 48.83 1d9n n ALA 26 Cb 0.00 -2.78 -0.12 0.00 0.00 0.00 0.00 19.45 16.55 1d9n n ALA 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1d9n s THR 27 N -0.86 1.50 -1.01 0.00 2.01 -1.26 -5.04 115.64 110.98 1d9n s THR 27 Ca 0.43 -3.00 -0.23 0.00 0.31 0.00 0.00 61.69 59.20 1d9n s THR 27 Cb 0.13 -2.03 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 1d9n s THR 27 CO -0.02 -1.01 1.84 0.00 -0.69 0.00 0.00 174.62 174.74 1d9n n GLY 29 N 6.54 0.61 3.78 0.00 0.00 -1.26 -5.14 105.19 109.73 1d9n n GLY 29 Ca 0.40 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 46.03 1d9n n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1d9n s ARG 30 N 0.00 3.47 -0.30 1.61 0.52 -1.17 -5.03 118.95 118.05 1d9n s ARG 30 Ca 0.00 1.60 -0.23 0.00 -0.52 0.00 0.00 55.73 56.57 1d9n s ARG 30 Cb 0.00 -2.07 0.20 0.00 0.52 0.00 0.00 34.95 33.60 1d9n s ARG 30 CO 0.00 -0.75 1.43 -1.12 0.02 0.00 0.00 175.30 174.88 1d9n s SER 31 N -1.75 -0.03 -0.06 0.23 0.01 -1.26 -4.36 113.70 106.48 1d9n s SER 31 Ca 0.71 0.06 -0.30 0.00 1.31 0.00 0.00 55.95 57.74 1d9n s SER 31 Cb -0.23 0.23 -0.02 0.00 0.21 0.00 0.00 66.02 66.21 1d9n s SER 31 CO 0.27 -0.01 0.98 -1.81 0.41 0.00 0.00 173.24 173.08 1d9n s ASP 32 N 0.19 7.29 -0.10 2.44 1.01 -1.25 -4.83 116.67 121.42 1d9n s ASP 32 Ca 0.05 1.58 0.02 0.00 0.71 0.00 0.00 52.55 54.90 1d9n s ASP 32 Cb -0.04 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.31 1d9n s ASP 32 CO -0.15 -0.35 -0.15 -0.89 0.21 0.00 0.00 175.17 173.84 1d9n s THR 33 N 1.51 2.92 0.07 -1.27 2.01 -1.26 -0.42 115.64 119.20 1d9n s THR 33 Ca 0.50 -0.73 0.06 0.00 0.31 0.00 0.00 61.69 61.82 1d9n s THR 33 Cb -0.19 -2.19 -0.03 0.00 0.01 0.00 0.00 72.50 70.10 1d9n s THR 33 CO 0.23 0.55 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.24 1d9n s TYR 34 N 0.03 1.31 0.18 4.92 2.02 -0.04 -4.81 117.35 120.96 1d9n s TYR 34 Ca -0.05 -0.44 0.09 0.00 -0.37 0.00 0.00 57.07 56.30 1d9n s TYR 34 Cb -0.15 -0.74 -0.04 0.00 -0.40 0.00 0.00 41.96 40.63 1d9n s TYR 34 CO 0.04 0.08 -0.08 0.71 -1.57 0.00 0.00 175.55 174.73 1d9n s TYR 35 N -1.18 2.67 -0.07 2.71 2.02 -0.48 -1.17 117.35 121.85 1d9n s TYR 35 Ca -0.00 -0.21 0.01 0.00 -0.37 0.00 0.00 57.07 56.50 1d9n s TYR 35 Cb -0.10 -1.31 0.02 0.00 -0.40 0.00 0.00 41.96 40.18 1d9n s TYR 35 CO 0.02 0.51 -0.08 -1.14 -1.57 0.00 0.00 175.55 173.29 1d9n s GLN 36 N -2.81 1.32 1.18 -0.62 0.74 -0.90 -1.29 119.66 117.27 1d9n s GLN 36 Ca 0.25 -0.24 -0.14 0.00 0.05 0.00 0.00 55.36 55.28 1d9n s GLN 36 Cb -0.09 -1.26 0.28 0.00 1.10 0.00 0.00 33.01 33.05 1d9n s GLN 36 CO 0.16 -0.11 1.03 -1.12 -0.55 0.00 0.00 175.29 174.70 1d9n s SER 37 N 1.12 0.93 0.00 6.67 0.01 0.12 -1.99 113.70 120.56 1d9n s SER 37 Ca -0.07 1.33 0.12 0.00 1.31 0.00 0.00 55.95 58.64 1d9n s SER 37 Cb -0.14 -2.06 0.71 0.00 0.21 0.00 0.00 66.02 64.73 1d9n s SER 37 CO -0.01 -4.20 1.39 -0.81 0.41 0.00 0.00 173.24 170.02 1d9n n PRO 38 N -4.90 0.92 -0.00 12.44 -0.04 -1.25 -3.00 135.00 139.16 1d9n n PRO 38 Ca 0.04 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.53 1d9n n PRO 38 Cb 0.56 -1.20 -0.04 0.00 -0.04 0.00 0.00 33.50 32.78 1d9n n PRO 38 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1d9n n THR 39 N -0.70 0.00 0.00 0.52 5.66 -1.26 -4.98 114.28 113.52 1d9n n THR 39 Ca 0.09 -0.22 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 1d9n n THR 39 Cb 0.04 0.62 0.00 0.00 -1.55 0.00 0.00 70.33 69.44 1d9n n THR 39 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1d9n n GLY 40 N 1.78 0.68 3.83 1.09 0.00 -1.16 -5.12 105.19 106.29 1d9n n GLY 40 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.54 5.96 -0.08 1.61 -1.08 -1.26 -4.80 116.67 116.48 1d9n s ASP 41 Ca 0.00 1.63 -0.03 0.00 -0.52 0.00 0.00 52.55 53.63 1d9n s ASP 41 Cb 0.00 -2.51 0.04 0.00 -1.46 0.00 0.00 42.92 39.00 1d9n s ASP 41 CO 0.00 -1.05 0.15 0.00 0.52 0.00 0.00 175.17 174.80 1d9n s ARG 42 N -4.53 0.04 0.11 4.34 3.03 -1.26 0.16 118.95 120.85 1d9n s ARG 42 Ca 0.59 0.51 0.06 0.00 2.03 0.00 0.00 55.73 58.92 1d9n s ARG 42 Cb -0.13 -0.25 -0.04 0.00 -1.03 0.00 0.00 34.95 33.50 1d9n s ARG 42 CO 0.43 -0.27 -0.15 0.42 -1.13 0.00 0.00 175.30 174.61 1d9n s ILE 43 N 1.98 1.36 -0.07 4.99 1.09 -0.41 -4.97 121.20 125.17 1d9n s ILE 43 Ca -0.00 -1.64 0.03 0.00 -1.10 0.00 0.00 60.65 57.94 1d9n s ILE 43 Cb -0.12 -1.47 -0.04 0.00 -1.06 0.00 0.00 42.46 39.77 1d9n s ILE 43 CO -0.06 -0.34 0.09 -2.11 -0.10 0.00 0.00 174.94 172.42 1d9n n ARG 44 N 0.70 2.99 -3.22 2.79 1.85 -1.26 -1.38 116.66 119.13 1d9n n ARG 44 Ca -0.17 -0.01 -0.39 0.00 -1.00 0.00 0.00 57.85 56.28 1d9n n ARG 44 Cb 0.56 -0.86 -0.06 0.00 -1.05 0.00 0.00 32.46 31.05 1d9n n ARG 44 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1d9n s SER 45 N -1.82 6.61 0.11 2.89 0.01 -1.26 -4.94 113.70 115.30 1d9n s SER 45 Ca -0.00 0.74 -0.20 0.00 1.31 0.00 0.00 55.95 57.80 1d9n s SER 45 Cb 0.02 -2.31 -0.08 0.00 0.21 0.00 0.00 66.02 63.86 1d9n s SER 45 CO 0.12 -0.18 1.75 0.07 0.41 0.00 0.00 173.24 175.41 1d9n h LYS 46 N 7.36 0.24 0.01 12.44 2.10 -1.93 -1.47 116.57 135.33 1d9n h LYS 46 Ca -0.34 -0.02 -0.20 0.00 -2.00 0.00 0.00 60.65 58.09 1d9n h LYS 46 Cb 1.16 -0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 32.42 1d9n h LYS 46 CO 0.75 0.18 -0.91 0.28 -2.00 0.00 0.00 179.45 177.75 1d9n h VAL 47 N 0.23 1.57 0.13 0.07 2.07 -1.93 -1.05 116.25 117.33 1d9n h VAL 47 Ca 0.06 -2.87 -0.00 0.00 0.82 0.00 0.00 66.70 64.71 1d9n h VAL 47 Cb -0.00 2.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1d9n h VAL 47 CO -0.01 0.83 -0.09 -0.08 0.02 0.00 0.00 177.57 178.23 1d9n h GLU 48 N 0.05 -0.22 -0.15 1.57 4.81 -1.90 0.54 114.58 119.28 1d9n h GLU 48 Ca -0.03 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.10 1d9n h GLU 48 Cb 1.57 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.99 1d9n h GLU 48 CO 0.13 -0.14 -0.41 1.37 -0.73 0.00 0.00 179.01 179.22 1d9n h LEU 49 N -0.22 0.37 0.07 1.64 8.10 -1.32 -2.65 115.31 121.29 1d9n h LEU 49 Ca -0.01 -0.16 0.00 0.00 0.11 0.00 0.00 57.88 57.82 1d9n h LEU 49 Cb 0.20 -0.10 -0.01 0.00 -0.44 0.00 0.00 40.66 40.30 1d9n h LEU 49 CO -0.00 0.75 -0.14 0.74 -4.11 0.00 0.00 178.44 175.67 1d9n h THR 50 N 0.29 0.00 -1.00 0.15 2.02 -0.28 0.16 112.91 114.26 1d9n h THR 50 Ca 0.03 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.49 1d9n h THR 50 Cb 0.85 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.22 1d9n h THR 50 CO 0.07 0.00 0.71 0.08 0.37 0.00 0.00 175.52 176.75 1d9n h ARG 51 N -0.23 0.06 0.56 6.66 0.11 -0.92 0.14 114.38 120.75 1d9n h ARG 51 Ca -0.01 -0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.04 1d9n h ARG 51 Cb 0.22 -0.01 0.01 0.00 1.11 0.00 0.00 29.97 31.29 1d9n h ARG 51 CO -0.06 0.04 -0.27 -0.92 0.10 0.00 0.00 179.97 178.86 1d9n h TYR 52 N 0.06 -0.69 -0.35 4.08 3.20 -0.56 -3.18 116.97 119.53 1d9n h TYR 52 Ca 0.48 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.39 1d9n h TYR 52 Cb 1.83 0.23 -0.05 0.00 1.54 0.00 0.00 36.73 40.27 1d9n h TYR 52 CO -0.00 -0.43 0.05 -0.07 -1.64 0.00 0.00 178.16 176.07 1d9n h LEU 53 N -0.90 -0.04 0.00 2.82 4.07 0.24 -3.49 115.31 118.01 1d9n h LEU 53 Ca -0.08 0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1d9n h LEU 53 Cb 0.57 0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.41 1d9n h LEU 53 CO 0.13 0.01 0.00 0.61 -1.08 0.00 0.00 178.44 178.11 1d9n n GLY 54 N -1.24 0.66 0.00 0.83 0.00 0.40 -4.68 105.19 101.15 1d9n n GLY 54 Ca 0.01 -2.15 0.13 0.00 0.00 0.00 0.00 46.02 44.02 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 0.66 0.17 1.61 -0.04 -1.26 -3.12 135.00 133.02 1d9n n PRO 55 Ca 0.00 0.02 0.05 0.00 -0.04 0.00 0.00 63.50 63.52 1d9n n PRO 55 Cb 0.00 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.16 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 3.52 0.84 -3.08 0.55 0.00 -1.93 -3.40 119.26 115.76 1d9n h ALA 56 Ca 0.00 -0.37 -0.55 0.00 0.00 0.00 0.00 54.91 53.99 1d9n h ALA 56 Cb 0.10 -0.07 -0.40 0.00 0.00 0.00 0.00 17.79 17.42 1d9n h ALA 56 CO 0.00 0.51 -0.76 0.00 0.00 0.00 0.00 179.25 179.00 1d9n s ASP 58 N 1.83 6.17 0.00 0.00 1.47 -1.26 -4.66 116.67 120.22 1d9n s ASP 58 Ca 0.06 0.30 0.00 0.00 1.18 0.00 0.00 52.55 54.10 1d9n s ASP 58 Cb -0.17 -1.83 0.00 0.00 -0.34 0.00 0.00 42.92 40.58 1d9n s ASP 58 CO -0.23 -0.36 0.64 0.18 0.68 0.00 0.00 175.17 176.07 1d9n n LEU 59 N -1.78 -0.00 -0.34 2.11 4.32 -1.26 -4.86 117.00 115.18 1d9n n LEU 59 Ca -0.04 -1.00 0.19 0.00 -0.02 0.00 0.00 56.01 55.14 1d9n n LEU 59 Cb 0.57 0.00 0.41 0.00 -1.62 0.00 0.00 43.42 42.77 1d9n n LEU 59 CO 0.47 0.80 1.13 0.74 -1.22 0.00 0.00 177.39 179.32 1d9n h THR 60 N 5.54 0.45 -0.19 -5.08 2.02 -1.94 0.91 112.91 114.62 1d9n h THR 60 Ca -0.00 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1d9n h THR 60 Cb 1.11 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1d9n h THR 60 CO -0.00 0.09 0.00 0.18 0.37 0.00 0.00 175.52 176.16 1d9n n LEU 61 N -4.96 2.44 -4.74 2.58 7.99 -1.26 -4.99 117.00 114.06 1d9n n LEU 61 Ca 0.28 -1.52 -0.41 0.00 -0.01 0.00 0.00 56.01 54.35 1d9n n LEU 61 Cb 0.81 -0.12 -0.03 0.00 -0.11 0.00 0.00 43.42 43.97 1d9n n LEU 61 CO 0.14 0.56 0.90 0.12 -1.51 0.00 0.00 177.39 177.59 1d9n s PHE 62 N -0.96 3.38 -0.27 -1.77 5.36 0.31 -4.03 117.98 120.00 1d9n s PHE 62 Ca 0.18 1.43 -0.15 0.00 -0.96 0.00 0.00 56.93 57.43 1d9n s PHE 62 Cb 0.11 -3.46 -0.04 0.00 -0.34 0.00 0.00 43.02 39.29 1d9n s PHE 62 CO 0.15 -1.29 0.36 -0.51 -1.46 0.00 0.00 175.22 172.47 1d9n s ASP 63 N -0.03 6.24 0.10 6.13 1.01 0.12 -4.92 116.67 125.32 1d9n s ASP 63 Ca 0.52 0.27 0.14 0.00 0.71 0.00 0.00 52.55 54.20 1d9n s ASP 63 Cb -0.34 -2.21 0.64 0.00 1.01 0.00 0.00 42.92 42.03 1d9n s ASP 63 CO 0.39 -0.17 1.45 0.33 0.21 0.00 0.00 175.17 177.37 1d9n n PHE 64 N 5.30 0.29 -0.12 4.23 -0.00 -1.26 -0.16 117.46 125.74 1d9n n PHE 64 Ca -0.09 0.12 -0.18 0.00 -0.00 0.00 0.00 57.45 57.31 1d9n n PHE 64 Cb 0.51 -0.70 -0.11 0.00 -0.00 0.00 0.00 39.48 39.18 1d9n n PHE 64 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 1d9n n LYS 65 N -1.77 0.58 0.09 -4.13 4.81 -1.26 -4.45 118.16 112.03 1d9n n LYS 65 Ca 0.02 0.15 -0.20 0.00 -0.87 0.00 0.00 58.31 57.41 1d9n n LYS 65 Cb 0.13 -1.46 -0.15 0.00 0.02 0.00 0.00 35.03 33.58 1d9n n LYS 65 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1d9n h GLN 66 N -0.15 0.36 0.00 1.64 4.20 -1.94 -3.49 115.11 115.73 1d9n h GLN 66 Ca -0.54 -0.61 0.00 0.00 0.06 0.00 0.00 58.65 57.55 1d9n h GLN 66 Cb 1.77 0.23 0.00 0.00 0.30 0.00 0.00 27.48 29.78 1d9n h GLN 66 CO -0.13 1.26 0.00 0.41 -0.67 0.00 0.00 178.83 179.70 1d9n n GLY 67 N 1.72 1.11 3.10 3.46 0.00 0.77 -5.01 105.19 110.35 1d9n n GLY 67 Ca -0.18 -0.48 -0.07 0.00 0.00 0.00 0.00 46.02 45.28 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 0.26 0.24 -0.61 -4.36 -1.25 -4.30 121.20 109.18 1d9n s ILE 68 Ca 0.00 -1.83 -0.02 0.00 -0.26 0.00 0.00 60.65 58.54 1d9n s ILE 68 Cb 0.00 -1.56 -0.03 0.00 1.25 0.00 0.00 42.46 42.12 1d9n s ILE 68 CO 0.00 -0.96 0.26 -1.48 0.24 0.00 0.00 174.94 173.00 1d9n s LEU 69 N -2.94 1.05 0.08 0.37 2.34 -1.26 0.14 118.68 118.46 1d9n s LEU 69 Ca 0.08 -1.36 -0.26 0.00 0.06 0.00 0.00 54.13 52.65 1d9n s LEU 69 Cb 0.08 0.80 0.07 0.00 -0.56 0.00 0.00 46.19 46.58 1d9n s LEU 69 CO -0.09 -0.98 0.64 0.00 -1.06 0.00 0.00 176.35 174.86 1d9n s TYR 71 N -2.78 -0.73 -0.49 0.00 -0.85 -1.26 -4.48 117.35 106.76 1d9n s TYR 71 Ca -0.03 1.56 -0.29 0.00 -0.52 0.00 0.00 57.07 57.79 1d9n s TYR 71 Cb -0.01 0.34 0.02 0.00 0.38 0.00 0.00 41.96 42.69 1d9n s TYR 71 CO -0.04 -0.48 1.23 -1.25 -1.52 0.00 0.00 175.55 173.49 1d9n s PRO 72 N -0.34 3.61 0.63 -3.49 0.04 -1.26 -4.81 135.00 129.37 1d9n s PRO 72 Ca -0.05 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.56 1d9n s PRO 72 Cb -0.03 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.54 1d9n s PRO 72 CO 0.05 -1.54 0.00 0.00 0.04 0.00 0.00 177.00 175.55 1d9n n ALA 73 N 8.35 -2.95 -2.47 8.56 0.00 -1.26 -4.60 120.51 126.14 1d9n n ALA 73 Ca 0.12 0.74 -0.41 0.00 0.00 0.00 0.00 53.44 53.89 1d9n n ALA 73 Cb 0.49 -1.57 -0.03 0.00 0.00 0.00 0.00 19.45 18.34 1d9n n ALA 73 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1d9n s PRO 74 N -4.92 3.26 0.00 0.00 0.04 -1.26 -5.24 135.00 126.88 1d9n s PRO 74 Ca 0.00 0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.19 1d9n s PRO 74 Cb 0.00 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.40 1d9n s PRO 74 CO 0.00 -2.02 0.00 1.17 0.04 0.00 0.00 177.00 176.19