#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dl5 s SER 2 N 0.00 -0.21 0.32 1.61 0.01 -1.26 -5.15 113.70 109.02 2dl5 s SER 2 Ca 0.00 -0.43 -0.28 0.00 1.31 0.00 0.00 55.95 56.55 2dl5 s SER 2 Cb 0.00 0.50 -0.09 0.00 0.21 0.00 0.00 66.02 66.64 2dl5 s SER 2 CO 0.00 -0.92 1.10 -0.44 0.41 0.00 0.00 173.24 173.39 2dl5 s SER 3 N -2.84 7.08 0.00 2.44 0.01 -1.26 -4.83 113.70 114.29 2dl5 s SER 3 Ca 0.06 2.23 0.00 0.00 1.31 0.00 0.00 55.95 59.55 2dl5 s SER 3 Cb 0.01 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2dl5 s SER 3 CO -0.08 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 173.91 2dl5 n GLY 4 N 0.94 1.91 3.37 3.44 0.00 -1.26 -5.05 105.19 108.53 2dl5 n GLY 4 Ca 0.01 -0.69 -0.46 0.00 0.00 0.00 0.00 46.02 44.88 2dl5 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dl5 s SER 5 N 0.00 6.78 0.06 1.61 0.01 -1.26 -5.03 113.70 115.87 2dl5 s SER 5 Ca 0.00 -2.60 0.00 0.00 1.31 0.00 0.00 55.95 54.66 2dl5 s SER 5 Cb 0.00 -2.26 -0.04 0.00 0.21 0.00 0.00 66.02 63.93 2dl5 s SER 5 CO 0.00 -0.68 0.20 -0.44 0.41 0.00 0.00 173.24 172.73 2dl5 s SER 6 N 2.49 6.30 0.66 2.44 0.01 -1.26 -4.98 113.70 119.35 2dl5 s SER 6 Ca 0.23 0.25 -0.15 0.00 1.31 0.00 0.00 55.95 57.59 2dl5 s SER 6 Cb -0.08 -1.92 -0.00 0.00 0.21 0.00 0.00 66.02 64.22 2dl5 s SER 6 CO -0.09 0.17 1.10 -0.83 0.41 0.00 0.00 173.24 174.00 2dl5 s GLY 7 N -2.51 2.11 0.00 3.44 0.00 -1.26 -4.97 107.32 104.13 2dl5 s GLY 7 Ca 0.35 0.50 0.00 0.00 0.00 0.00 0.00 44.72 45.56 2dl5 s GLY 7 CO 0.28 0.84 0.27 -0.37 0.00 0.00 0.00 173.10 174.12 2dl5 n THR 8 N -2.45 0.00 -3.58 0.90 5.66 -1.26 -4.89 114.28 108.66 2dl5 n THR 8 Ca 0.10 -0.36 -0.28 0.00 -3.05 0.00 0.00 64.05 60.47 2dl5 n THR 8 Cb 0.52 1.21 -0.11 0.00 -1.55 0.00 0.00 70.33 70.41 2dl5 n THR 8 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2dl5 s LEU 9 N -0.36 2.56 -0.16 1.09 1.43 -1.26 -5.07 118.68 116.91 2dl5 s LEU 9 Ca 0.00 -3.26 -0.07 0.00 -1.03 0.00 0.00 54.13 49.77 2dl5 s LEU 9 Cb 0.00 -0.85 0.07 0.00 0.03 0.00 0.00 46.19 45.44 2dl5 s LEU 9 CO 0.00 -0.15 0.35 -0.13 0.23 0.00 0.00 176.35 176.64 2dl5 s ARG 10 N -0.37 0.27 -0.68 1.70 0.52 -1.26 -5.10 118.95 114.03 2dl5 s ARG 10 Ca 0.29 0.82 -0.04 0.00 -0.52 0.00 0.00 55.73 56.28 2dl5 s ARG 10 Cb -0.02 0.08 0.17 0.00 0.52 0.00 0.00 34.95 35.71 2dl5 s ARG 10 CO -0.17 -0.23 0.51 1.21 0.02 0.00 0.00 175.30 176.65 2dl5 s ASN 11 N 2.08 5.44 0.68 0.23 3.84 -1.26 -5.08 114.94 120.86 2dl5 s ASN 11 Ca -0.04 -2.96 -0.14 0.00 0.21 0.00 0.00 52.86 49.93 2dl5 s ASN 11 Cb -0.11 -1.89 0.01 0.00 -0.55 0.00 0.00 41.25 38.71 2dl5 s ASN 11 CO -0.11 -0.36 1.10 -0.31 -2.79 0.00 0.00 177.10 174.63 2dl5 s TYR 12 N -0.22 2.65 0.90 0.43 2.02 -1.26 -4.46 117.35 117.40 2dl5 s TYR 12 Ca 0.18 1.55 -0.12 0.00 -0.37 0.00 0.00 57.07 58.31 2dl5 s TYR 12 Cb -0.18 -3.12 0.13 0.00 -0.40 0.00 0.00 41.96 38.39 2dl5 s TYR 12 CO -0.05 -1.66 1.09 -1.25 -1.57 0.00 0.00 175.55 172.11 2dl5 s PRO 13 N -4.30 1.23 -0.12 -1.71 0.04 -1.26 -5.12 135.00 123.75 2dl5 s PRO 13 Ca 0.65 0.80 -0.04 0.00 0.04 0.00 0.00 61.00 62.46 2dl5 s PRO 13 Cb -0.19 -1.81 0.06 0.00 0.04 0.00 0.00 34.50 32.60 2dl5 s PRO 13 CO 0.45 -2.26 0.16 -0.51 0.04 0.00 0.00 177.00 174.88 2dl5 s LEU 14 N -6.23 -0.02 0.12 -3.56 1.43 -0.57 -4.98 118.68 104.87 2dl5 s LEU 14 Ca 0.63 0.06 -0.30 0.00 -1.03 0.00 0.00 54.13 53.50 2dl5 s LEU 14 Cb -0.18 0.21 -0.07 0.00 0.03 0.00 0.00 46.19 46.18 2dl5 s LEU 14 CO 0.57 -0.28 1.20 -0.89 0.23 0.00 0.00 176.35 177.18 2dl5 s THR 15 N 2.27 3.82 0.38 5.49 2.01 -1.26 -1.67 115.64 126.68 2dl5 s THR 15 Ca 0.04 1.40 0.07 0.00 0.31 0.00 0.00 61.69 63.51 2dl5 s THR 15 Cb -0.13 -3.90 -0.07 0.00 0.01 0.00 0.00 72.50 68.41 2dl5 s THR 15 CO -0.08 0.16 -0.01 0.00 -0.69 0.00 0.00 174.62 174.01 2dl5 s LYS 17 N -3.70 1.36 -0.40 0.00 2.47 -0.68 -2.39 119.74 116.41 2dl5 s LYS 17 Ca 0.34 -0.95 -0.27 0.00 -1.56 0.00 0.00 55.97 53.54 2dl5 s LYS 17 Cb 0.08 -2.48 -0.05 0.00 -1.46 0.00 0.00 37.83 33.91 2dl5 s LYS 17 CO 0.17 -0.66 2.25 0.08 0.16 0.00 0.00 175.35 177.35 2dl5 s VAL 18 N 1.47 3.07 -0.13 4.02 1.01 -1.12 -2.44 120.40 126.29 2dl5 s VAL 18 Ca -0.03 0.06 0.18 0.00 0.00 0.00 0.00 61.98 62.19 2dl5 s VAL 18 Cb -0.18 -3.14 -0.17 0.00 0.00 0.00 0.00 36.38 32.88 2dl5 s VAL 18 CO -0.08 -0.12 0.69 1.33 0.00 0.00 0.00 175.10 176.92 2dl5 n VAL 19 N 7.81 1.07 -3.92 2.92 0.24 -1.23 -1.34 118.33 123.88 2dl5 n VAL 19 Ca 0.32 -0.69 -0.30 0.00 -2.04 0.00 0.00 64.34 61.62 2dl5 n VAL 19 Cb 0.51 -0.61 -0.15 0.00 -1.47 0.00 0.00 33.84 32.11 2dl5 n VAL 19 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 2dl5 s TYR 20 N -2.94 2.67 0.89 6.34 2.02 -1.25 -4.78 117.35 120.29 2dl5 s TYR 20 Ca -0.04 -2.13 -0.16 0.00 -0.37 0.00 0.00 57.07 54.37 2dl5 s TYR 20 Cb 0.09 -2.00 -0.07 0.00 -0.40 0.00 0.00 41.96 39.58 2dl5 s TYR 20 CO 0.82 -0.85 -0.12 -1.13 -1.57 0.00 0.00 175.55 172.70 2dl5 n SER 21 N 4.58 -3.72 -3.47 2.29 3.41 -1.26 -4.76 113.62 110.69 2dl5 n SER 21 Ca -0.05 0.34 -0.02 0.00 -0.26 0.00 0.00 58.87 58.88 2dl5 n SER 21 Cb 0.43 -0.99 -0.04 0.00 -0.26 0.00 0.00 64.21 63.34 2dl5 n SER 21 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2dl5 s TYR 22 N -2.11 -1.29 0.03 7.33 5.04 -1.07 -4.91 117.35 120.37 2dl5 s TYR 22 Ca 0.51 1.87 -0.28 0.00 -2.44 0.00 0.00 57.07 56.73 2dl5 s TYR 22 Cb -0.25 0.58 -0.04 0.00 0.35 0.00 0.00 41.96 42.59 2dl5 s TYR 22 CO 0.72 -0.71 0.88 0.15 -1.34 0.00 0.00 175.55 175.26 2dl5 s LYS 23 N 2.81 4.56 -0.06 4.97 -0.14 -1.26 -2.12 119.74 128.50 2dl5 s LYS 23 Ca 0.05 1.27 -0.30 0.00 -1.36 0.00 0.00 55.97 55.63 2dl5 s LYS 23 Cb -0.13 -3.41 -0.03 0.00 -1.68 0.00 0.00 37.83 32.57 2dl5 s LYS 23 CO -0.18 0.11 1.17 0.00 -0.76 0.00 0.00 175.35 175.69 2dl5 s ALA 24 N 0.47 3.48 -0.16 5.17 0.00 -1.26 -4.92 121.76 124.54 2dl5 s ALA 24 Ca 0.45 0.59 0.05 0.00 0.00 0.00 0.00 51.96 53.05 2dl5 s ALA 24 Cb -0.21 -3.50 -0.23 0.00 0.00 0.00 0.00 23.12 19.18 2dl5 s ALA 24 CO 0.26 -0.73 0.20 0.45 0.00 0.00 0.00 175.76 175.94 2dl5 n SER 25 N 5.15 1.42 -4.92 0.00 2.88 -1.26 -4.95 113.62 111.93 2dl5 n SER 25 Ca 0.11 0.11 -0.30 0.00 -1.33 0.00 0.00 58.87 57.46 2dl5 n SER 25 Cb 0.47 -0.21 -0.04 0.00 -0.75 0.00 0.00 64.21 63.68 2dl5 n SER 25 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2dl5 s GLN 26 N -2.54 3.45 0.00 -1.46 -0.21 -1.26 -4.98 119.66 112.66 2dl5 s GLN 26 Ca -0.20 -0.45 0.13 0.00 0.02 0.00 0.00 55.36 54.86 2dl5 s GLN 26 Cb 0.07 -3.01 0.77 0.00 1.00 0.00 0.00 33.01 31.84 2dl5 s GLN 26 CO 0.74 0.58 1.19 -0.35 -2.12 0.00 0.00 175.29 175.34 2dl5 n PRO 27 N 0.08 0.49 0.00 2.91 -0.04 -1.26 -1.71 135.00 135.47 2dl5 n PRO 27 Ca -0.05 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.46 2dl5 n PRO 27 Cb 0.52 -1.41 0.03 0.00 -0.04 0.00 0.00 33.50 32.60 2dl5 n PRO 27 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2dl5 n ASP 28 N -0.91 1.70 -4.96 3.54 8.00 -1.26 -5.01 116.55 117.66 2dl5 n ASP 28 Ca 0.10 -1.35 -0.23 0.00 0.71 0.00 0.00 54.79 54.02 2dl5 n ASP 28 Cb 0.04 0.16 0.01 0.00 -0.02 0.00 0.00 41.12 41.32 2dl5 n ASP 28 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2dl5 s GLU 29 N -1.11 3.09 -0.32 -1.24 8.01 -0.69 -2.51 118.70 123.92 2dl5 s GLU 29 Ca 0.12 -0.54 -0.05 0.00 0.01 0.00 0.00 54.97 54.51 2dl5 s GLU 29 Cb 0.09 -2.59 0.04 0.00 -4.31 0.00 0.00 34.13 27.36 2dl5 s GLU 29 CO 0.19 -0.21 0.08 -1.17 0.01 0.00 0.00 175.26 174.15 2dl5 s LEU 30 N -4.50 4.16 -0.01 1.80 1.98 -0.84 -4.60 118.68 116.66 2dl5 s LEU 30 Ca 0.48 -1.11 -0.30 0.00 -2.89 0.00 0.00 54.13 50.31 2dl5 s LEU 30 Cb -0.10 -1.83 -0.08 0.00 0.66 0.00 0.00 46.19 44.84 2dl5 s LEU 30 CO 0.37 -0.29 1.92 -0.89 -1.89 0.00 0.00 176.35 175.56 2dl5 s THR 31 N 1.38 3.16 0.38 3.68 2.01 -1.26 -4.73 115.64 120.26 2dl5 s THR 31 Ca -0.02 0.19 0.07 0.00 0.31 0.00 0.00 61.69 62.24 2dl5 s THR 31 Cb -0.19 -3.13 -0.07 0.00 0.01 0.00 0.00 72.50 69.11 2dl5 s THR 31 CO 0.02 -0.03 0.00 0.27 -0.69 0.00 0.00 174.62 174.19 2dl5 s ILE 32 N 4.76 1.88 0.03 1.82 -4.36 -0.90 -4.97 121.20 119.46 2dl5 s ILE 32 Ca 0.86 -2.03 -0.23 0.00 -0.26 0.00 0.00 60.65 58.98 2dl5 s ILE 32 Cb -0.39 -2.90 0.05 0.00 1.25 0.00 0.00 42.46 40.47 2dl5 s ILE 32 CO 0.38 -0.04 0.54 -1.61 0.24 0.00 0.00 174.94 174.45 2dl5 s GLU 33 N -3.73 1.02 0.43 0.37 2.02 -1.26 -2.58 118.70 114.97 2dl5 s GLU 33 Ca 0.35 -0.14 -0.22 0.00 0.02 0.00 0.00 54.97 54.97 2dl5 s GLU 33 Cb 0.09 0.47 -0.12 0.00 0.10 0.00 0.00 34.13 34.67 2dl5 s GLU 33 CO 0.17 -0.36 0.58 -1.91 0.02 0.00 0.00 175.26 173.77 2dl5 n GLU 34 N 0.54 0.63 -3.18 1.61 2.13 -1.26 -2.69 120.64 118.41 2dl5 n GLU 34 Ca -0.19 0.23 -0.15 0.00 0.66 0.00 0.00 57.16 57.72 2dl5 n GLU 34 Cb 0.59 -1.57 0.07 0.00 0.27 0.00 0.00 31.44 30.80 2dl5 n GLU 34 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2dl5 n HIS 35 N -0.91 -1.86 -3.70 4.31 8.25 -0.45 -4.99 115.22 115.87 2dl5 n HIS 35 Ca 0.11 0.74 -0.30 0.00 -0.26 0.00 0.00 57.72 58.02 2dl5 n HIS 35 Cb 0.40 -4.27 -0.14 0.00 1.12 0.00 0.00 29.99 27.10 2dl5 n HIS 35 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2dl5 s GLU 36 N -5.38 0.76 -0.31 -0.41 2.12 -1.10 -4.99 118.70 109.39 2dl5 s GLU 36 Ca 0.16 -1.21 -0.29 0.00 0.36 0.00 0.00 54.97 53.99 2dl5 s GLU 36 Cb -0.07 -1.95 -0.00 0.00 0.26 0.00 0.00 34.13 32.37 2dl5 s GLU 36 CO 0.56 -1.03 1.41 0.08 -0.54 0.00 0.00 175.26 175.74 2dl5 s VAL 37 N 1.41 3.97 0.56 3.70 1.01 -1.26 -2.77 120.40 127.01 2dl5 s VAL 37 Ca 0.12 1.06 0.07 0.00 0.00 0.00 0.00 61.98 63.23 2dl5 s VAL 37 Cb -0.19 -4.06 0.07 0.00 0.00 0.00 0.00 36.38 32.20 2dl5 s VAL 37 CO -0.20 -0.51 0.55 0.18 0.00 0.00 0.00 175.10 175.12 2dl5 n LEU 38 N 8.18 0.00 -3.78 3.92 4.77 -1.00 -4.77 117.00 124.32 2dl5 n LEU 38 Ca 0.16 -2.72 -0.29 0.00 -0.03 0.00 0.00 56.01 53.13 2dl5 n LEU 38 Cb 0.47 -0.18 -0.16 0.00 -2.33 0.00 0.00 43.42 41.22 2dl5 n LEU 38 CO 0.65 -0.63 -0.36 -0.70 -1.33 0.00 0.00 177.39 175.02 2dl5 s GLU 39 N -4.38 0.89 -0.42 3.23 2.12 -1.15 -2.49 118.70 116.50 2dl5 s GLU 39 Ca 0.42 -0.85 -0.29 0.00 0.36 0.00 0.00 54.97 54.61 2dl5 s GLU 39 Cb -0.03 -2.18 0.02 0.00 0.26 0.00 0.00 34.13 32.19 2dl5 s GLU 39 CO 0.27 -0.79 1.32 0.08 -0.54 0.00 0.00 175.26 175.60 2dl5 s VAL 40 N 1.64 4.02 -0.19 3.70 1.01 -0.67 -2.13 120.40 127.77 2dl5 s VAL 40 Ca 0.03 1.05 0.16 0.00 0.00 0.00 0.00 61.98 63.22 2dl5 s VAL 40 Cb -0.18 -4.32 -0.23 0.00 0.00 0.00 0.00 36.38 31.65 2dl5 s VAL 40 CO -0.15 -0.81 0.06 2.30 0.00 0.00 0.00 175.10 176.50 2dl5 n ILE 41 N 6.93 1.29 -4.12 2.22 -5.35 -0.82 -1.51 119.36 118.00 2dl5 n ILE 41 Ca 0.15 -0.79 -0.10 0.00 -0.27 0.00 0.00 62.75 61.74 2dl5 n ILE 41 Cb 0.48 -0.52 -0.09 0.00 -1.74 0.00 0.00 39.64 37.77 2dl5 n ILE 41 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2dl5 s GLU 42 N -2.46 0.99 -0.28 6.28 2.02 -1.11 -4.83 118.70 119.31 2dl5 s GLU 42 Ca -0.10 -1.41 0.06 0.00 0.02 0.00 0.00 54.97 53.54 2dl5 s GLU 42 Cb 0.06 0.27 0.55 0.00 0.10 0.00 0.00 34.13 35.11 2dl5 s GLU 42 CO 0.77 -0.30 1.60 -0.40 0.02 0.00 0.00 175.26 176.95 2dl5 n ASP 43 N -0.13 3.97 -0.87 -0.19 5.68 -1.26 0.05 116.55 123.80 2dl5 n ASP 43 Ca -0.05 -3.02 0.09 0.00 -0.50 0.00 0.00 54.79 51.30 2dl5 n ASP 43 Cb 0.64 -0.71 -0.02 0.00 -1.14 0.00 0.00 41.12 39.88 2dl5 n ASP 43 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dl5 n GLY 44 N -0.28 -1.05 0.17 6.12 0.00 -1.25 -4.11 105.19 104.78 2dl5 n GLY 44 Ca 0.36 -0.72 -0.06 0.00 0.00 0.00 0.00 46.02 45.60 2dl5 n GLY 44 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2dl5 h ASP 45 N -0.61 0.31 -2.49 1.61 3.32 -1.95 -3.45 116.42 113.15 2dl5 h ASP 45 Ca 0.01 -0.18 -0.46 0.00 0.02 0.00 0.00 57.03 56.42 2dl5 h ASP 45 Cb 0.61 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 40.08 2dl5 h ASP 45 CO 0.00 0.86 -0.23 -0.04 -1.72 0.00 0.00 179.24 178.11 2dl5 s MET 46 N -3.72 3.29 -0.04 3.56 -1.94 -1.26 -5.04 119.30 114.16 2dl5 s MET 46 Ca -0.04 -0.58 -0.22 0.00 -1.71 0.00 0.00 55.69 53.14 2dl5 s MET 46 Cb 0.12 -2.70 -0.26 0.00 2.01 0.00 0.00 34.83 33.99 2dl5 s MET 46 CO 0.81 0.06 0.99 1.05 -0.01 0.00 0.00 175.02 177.92 2dl5 h GLU 47 N 0.75 0.28 0.00 2.03 -0.00 -1.87 -3.28 114.58 112.49 2dl5 h GLU 47 Ca -0.48 -0.36 -0.07 0.00 -0.00 0.00 0.00 59.36 58.45 2dl5 h GLU 47 Cb 1.24 0.11 -0.01 0.00 -0.00 0.00 0.00 28.75 30.09 2dl5 h GLU 47 CO 0.59 1.09 -0.35 0.22 -0.00 0.00 0.00 179.01 180.55 2dl5 h ASP 48 N -0.36 0.00 -2.84 3.06 3.58 -1.94 -3.44 116.42 114.49 2dl5 h ASP 48 Ca -0.08 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.83 2dl5 h ASP 48 Cb 1.30 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.33 2dl5 h ASP 48 CO 0.10 0.35 -0.34 0.26 -2.88 0.00 0.00 179.24 176.73 2dl5 s TRP 49 N -3.96 3.48 0.06 0.28 0.52 -1.24 -3.10 118.94 114.99 2dl5 s TRP 49 Ca -0.02 0.33 0.00 0.00 0.02 0.00 0.00 56.10 56.44 2dl5 s TRP 49 Cb 0.13 -1.85 -0.04 0.00 -1.15 0.00 0.00 33.47 30.57 2dl5 s TRP 49 CO 0.69 0.39 -0.05 0.14 0.02 0.00 0.00 176.95 178.15 2dl5 s VAL 50 N -1.84 0.40 -0.25 4.03 -7.23 -0.81 -3.96 120.40 110.74 2dl5 s VAL 50 Ca 0.38 -1.73 -0.11 0.00 -1.81 0.00 0.00 61.98 58.71 2dl5 s VAL 50 Cb -0.11 -1.41 -0.05 0.00 0.56 0.00 0.00 36.38 35.37 2dl5 s VAL 50 CO 0.29 -0.87 0.19 -0.75 -0.31 0.00 0.00 175.10 173.65 2dl5 s LYS 51 N -3.52 4.05 0.04 4.82 2.20 0.11 -2.08 119.74 125.36 2dl5 s LYS 51 Ca 0.06 -0.24 0.01 0.00 -0.36 0.00 0.00 55.97 55.43 2dl5 s LYS 51 Cb 0.04 -3.57 -0.03 0.00 -1.51 0.00 0.00 37.83 32.77 2dl5 s LYS 51 CO -0.07 -0.01 -0.05 0.00 -0.36 0.00 0.00 175.35 174.86 2dl5 s ALA 52 N 1.27 0.43 -0.17 3.13 0.00 -1.20 -1.95 121.76 123.27 2dl5 s ALA 52 Ca 0.08 -0.80 -0.03 0.00 0.00 0.00 0.00 51.96 51.21 2dl5 s ALA 52 Cb -0.14 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 2dl5 s ALA 52 CO 0.06 -0.13 -0.06 0.50 0.00 0.00 0.00 175.76 176.13 2dl5 s ARG 53 N -2.01 3.52 0.49 0.00 3.52 -0.91 -3.26 118.95 120.29 2dl5 s ARG 53 Ca -0.08 -0.59 -0.05 0.00 -0.13 0.00 0.00 55.73 54.88 2dl5 s ARG 53 Cb -0.07 -2.89 0.11 0.00 -1.56 0.00 0.00 34.95 30.54 2dl5 s ARG 53 CO -0.02 0.10 0.66 0.27 -0.81 0.00 0.00 175.30 175.50 2dl5 n ASN 54 N 3.94 0.40 -0.16 -2.12 0.23 -0.94 -2.93 115.26 113.67 2dl5 n ASN 54 Ca -0.18 -1.45 -0.06 0.00 -0.53 0.00 0.00 54.58 52.36 2dl5 n ASN 54 Cb 0.52 -0.47 0.03 0.00 -2.08 0.00 0.00 39.78 37.77 2dl5 n ASN 54 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 2dl5 h LYS 55 N 0.00 0.61 0.00 -3.83 2.10 -1.91 -0.52 116.57 113.02 2dl5 h LYS 55 Ca -0.22 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 2dl5 h LYS 55 Cb 0.68 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 2dl5 h LYS 55 CO 0.19 0.40 0.00 1.33 -2.00 0.00 0.00 179.45 179.37 2dl5 n VAL 56 N -4.78 1.53 -0.62 0.07 0.24 -1.26 -4.79 118.33 108.73 2dl5 n VAL 56 Ca 0.03 0.60 0.00 0.00 -2.04 0.00 0.00 64.34 62.92 2dl5 n VAL 56 Cb 0.05 -1.59 0.00 0.00 -1.47 0.00 0.00 33.84 30.83 2dl5 n VAL 56 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dl5 n GLY 57 N -1.35 0.77 3.74 7.63 0.00 -0.20 -5.03 105.19 110.74 2dl5 n GLY 57 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2dl5 n GLY 57 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dl5 s GLN 58 N -0.38 4.55 -0.20 1.61 -0.21 -1.26 -4.75 119.66 119.02 2dl5 s GLN 58 Ca 0.00 1.78 -0.02 0.00 0.02 0.00 0.00 55.36 57.15 2dl5 s GLN 58 Cb 0.00 -3.26 0.00 0.00 1.00 0.00 0.00 33.01 30.76 2dl5 s GLN 58 CO 0.00 0.02 -0.12 0.08 -2.12 0.00 0.00 175.29 173.15 2dl5 s VAL 59 N -0.22 2.76 0.36 1.09 1.01 -1.26 -2.22 120.40 121.92 2dl5 s VAL 59 Ca 0.50 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 2dl5 s VAL 59 Cb -0.31 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 33.86 2dl5 s VAL 59 CO 0.36 0.48 0.49 -0.83 0.00 0.00 0.00 175.10 175.60 2dl5 s GLY 60 N 1.36 1.59 -0.01 4.51 0.00 -1.20 -4.91 107.32 108.66 2dl5 s GLY 60 Ca 0.05 -1.57 -0.20 0.00 0.00 0.00 0.00 44.72 43.00 2dl5 s GLY 60 CO -0.07 -1.02 0.56 -0.19 0.00 0.00 0.00 173.10 172.38 2dl5 s TYR 61 N -2.91 3.68 0.01 1.90 2.02 -1.05 -3.23 117.35 117.77 2dl5 s TYR 61 Ca 0.31 1.15 -0.05 0.00 -0.37 0.00 0.00 57.07 58.11 2dl5 s TYR 61 Cb -0.01 -2.56 -0.00 0.00 -0.40 0.00 0.00 41.96 38.98 2dl5 s TYR 61 CO 0.22 0.38 0.09 0.14 -1.57 0.00 0.00 175.55 174.81 2dl5 s VAL 62 N -0.25 0.09 -0.10 0.71 -7.23 -0.88 -1.98 120.40 110.76 2dl5 s VAL 62 Ca 0.30 -0.75 -0.29 0.00 -1.81 0.00 0.00 61.98 59.42 2dl5 s VAL 62 Cb -0.18 -0.39 -0.04 0.00 0.56 0.00 0.00 36.38 36.33 2dl5 s VAL 62 CO 0.16 -0.41 1.53 -2.16 -0.31 0.00 0.00 175.10 173.91 2dl5 s PRO 63 N -1.40 4.17 0.23 4.82 0.04 -1.26 -1.93 135.00 139.67 2dl5 s PRO 63 Ca -0.15 1.99 -0.03 0.00 0.04 0.00 0.00 61.00 62.85 2dl5 s PRO 63 Cb -0.08 -3.92 0.24 0.00 0.04 0.00 0.00 34.50 30.78 2dl5 s PRO 63 CO 0.01 -0.83 1.67 1.49 0.04 0.00 0.00 177.00 179.38 2dl5 h GLU 64 N 9.19 0.75 -1.10 4.56 4.81 -1.90 -2.97 114.58 127.92 2dl5 h GLU 64 Ca -0.35 -0.27 0.38 0.00 -0.13 0.00 0.00 59.36 58.98 2dl5 h GLU 64 Cb 1.15 -0.05 -0.15 0.00 0.63 0.00 0.00 28.75 30.33 2dl5 h GLU 64 CO 0.96 0.87 0.65 1.57 -0.73 0.00 0.00 179.01 182.34 2dl5 h LYS 65 N 0.67 0.17 0.00 1.92 2.10 -1.91 1.59 116.57 121.11 2dl5 h LYS 65 Ca 0.10 -0.01 -0.11 0.00 -2.00 0.00 0.00 60.65 58.63 2dl5 h LYS 65 Cb 0.66 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 31.93 2dl5 h LYS 65 CO 0.05 0.11 -0.75 1.88 -2.00 0.00 0.00 179.45 178.74 2dl5 h TYR 66 N 0.18 0.00 -4.04 0.07 0.05 -1.88 -3.46 116.97 107.89 2dl5 h TYR 66 Ca 0.78 0.00 -0.50 0.00 0.05 0.00 0.00 58.73 59.06 2dl5 h TYR 66 Cb 2.08 0.00 0.07 0.00 1.01 0.00 0.00 36.73 39.89 2dl5 h TYR 66 CO -0.01 0.48 0.46 -0.51 -1.05 0.00 0.00 178.16 177.53 2dl5 s LEU 67 N -6.23 3.90 -0.50 3.88 1.43 0.54 -3.48 118.68 118.23 2dl5 s LEU 67 Ca 0.02 2.24 -0.03 0.00 -1.03 0.00 0.00 54.13 55.32 2dl5 s LEU 67 Cb 0.08 -4.40 0.13 0.00 0.03 0.00 0.00 46.19 42.03 2dl5 s LEU 67 CO 0.76 -1.04 0.30 -1.58 0.23 0.00 0.00 176.35 175.03 2dl5 s GLN 68 N -2.96 2.25 0.60 1.70 2.00 -1.02 -4.92 119.66 117.31 2dl5 s GLN 68 Ca 0.68 -2.09 -0.15 0.00 -2.00 0.00 0.00 55.36 51.80 2dl5 s GLN 68 Cb -0.26 -3.66 -0.04 0.00 0.80 0.00 0.00 33.01 29.85 2dl5 s GLN 68 CO 0.31 -1.12 1.04 -0.06 -0.50 0.00 0.00 175.29 174.96 2dl5 s PHE 69 N 0.70 3.11 0.02 1.67 0.40 -1.26 -1.68 117.98 120.93 2dl5 s PHE 69 Ca 0.11 1.48 -0.30 0.00 -0.60 0.00 0.00 56.93 57.62 2dl5 s PHE 69 Cb -0.22 -2.94 -0.06 0.00 0.51 0.00 0.00 43.02 40.31 2dl5 s PHE 69 CO -0.04 -0.98 1.44 -1.25 0.70 0.00 0.00 175.22 175.08 2dl5 s PRO 70 N -4.26 4.27 0.56 0.24 0.04 -1.26 -4.96 135.00 129.63 2dl5 s PRO 70 Ca 0.62 2.02 -0.18 0.00 0.04 0.00 0.00 61.00 63.50 2dl5 s PRO 70 Cb -0.14 -3.56 -0.13 0.00 0.04 0.00 0.00 34.50 30.70 2dl5 s PRO 70 CO 0.39 -0.59 0.00 0.25 0.04 0.00 0.00 177.00 177.10 2dl5 n THR 71 N 4.63 0.56 -0.95 1.26 -2.24 -1.26 -4.82 114.28 111.46 2dl5 n THR 71 Ca 0.13 -0.50 -0.35 0.00 -2.27 0.00 0.00 64.05 61.06 2dl5 n THR 71 Cb 0.43 -0.18 0.06 0.00 -2.10 0.00 0.00 70.33 68.54 2dl5 n THR 71 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2dl5 n SER 72 N 2.01 -4.91 -0.12 3.42 3.41 -1.26 -4.94 113.62 111.23 2dl5 n SER 72 Ca 0.08 0.19 -0.19 0.00 -0.26 0.00 0.00 58.87 58.70 2dl5 n SER 72 Cb 0.48 -0.84 -0.12 0.00 -0.26 0.00 0.00 64.21 63.46 2dl5 n SER 72 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dl5 n SER 73 N 2.33 1.99 -4.65 4.04 2.88 -1.26 -4.98 113.62 113.97 2dl5 n SER 73 Ca -0.00 -0.09 -0.40 0.00 -1.33 0.00 0.00 58.87 57.05 2dl5 n SER 73 Cb 0.57 -0.47 0.03 0.00 -0.75 0.00 0.00 64.21 63.59 2dl5 n SER 73 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dl5 n GLY 74 N 2.20 0.09 0.21 0.46 0.00 -1.26 -4.91 105.19 101.98 2dl5 n GLY 74 Ca -0.45 0.05 -0.06 0.00 0.00 0.00 0.00 46.02 45.56 2dl5 n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dl5 h PRO 75 N 1.34 0.47 -0.64 1.61 0.13 -2.03 -3.24 132.00 129.65 2dl5 h PRO 75 Ca -0.47 -0.25 0.12 0.00 -0.87 0.00 0.00 66.00 64.52 2dl5 h PRO 75 Cb 1.33 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.35 2dl5 h PRO 75 CO 0.56 0.82 -0.29 0.77 -0.23 0.00 0.00 178.00 179.63 2dl5 h SER 76 N 0.38 -1.02 -0.08 1.44 0.02 -2.01 -3.38 113.55 108.89 2dl5 h SER 76 Ca 0.03 0.23 -0.51 0.00 -0.84 0.00 0.00 61.79 60.69 2dl5 h SER 76 Cb 0.93 0.54 -0.08 0.00 0.14 0.00 0.00 62.40 63.93 2dl5 h SER 76 CO 0.08 -0.28 1.73 -0.24 -1.14 0.00 0.00 176.83 176.97 2dl5 n SER 77 N -5.45 0.42 0.00 3.07 2.88 -1.23 -5.23 113.62 108.09 2dl5 n SER 77 Ca 0.06 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 2dl5 n SER 77 Cb 0.36 -0.95 0.00 0.00 -0.75 0.00 0.00 64.21 62.87 2dl5 n SER 77 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42