#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xl5 s GLN 2 N 0.00 2.93 -0.18 0.54 0.74 -1.26 -5.11 119.66 117.33 1xl5 s GLN 2 Ca 0.00 -0.82 0.01 0.00 0.05 0.00 0.00 55.36 54.60 1xl5 s GLN 2 Cb 0.00 -2.41 0.02 0.00 1.10 0.00 0.00 33.01 31.72 1xl5 s GLN 2 CO 0.00 -0.06 -0.18 0.42 -0.55 0.00 0.00 175.29 174.92 1xl5 s ILE 3 N 0.93 1.99 0.77 -2.34 1.01 -1.26 -5.11 121.20 117.19 1xl5 s ILE 3 Ca -0.05 -0.94 -0.10 0.00 0.00 0.00 0.00 60.65 59.57 1xl5 s ILE 3 Cb -0.15 -1.83 0.07 0.00 0.01 0.00 0.00 42.46 40.56 1xl5 s ILE 3 CO -0.04 0.49 1.11 0.42 0.00 0.00 0.00 174.94 176.92 1xl5 s THR 4 N 1.31 2.12 -0.16 2.92 -4.23 -1.26 -5.03 115.64 111.30 1xl5 s THR 4 Ca 0.04 -0.12 0.17 0.00 -1.18 0.00 0.00 61.69 60.60 1xl5 s THR 4 Cb -0.13 -3.00 0.37 0.00 1.34 0.00 0.00 72.50 71.07 1xl5 s THR 4 CO -0.12 0.00 1.23 0.18 -0.54 0.00 0.00 174.62 175.37 1xl5 n LEU 5 N -3.15 2.80 0.27 4.79 4.77 -1.26 -4.64 117.00 120.58 1xl5 n LEU 5 Ca 0.08 -3.20 0.15 0.00 -0.03 0.00 0.00 56.01 53.01 1xl5 n LEU 5 Cb 0.61 -0.48 0.72 0.00 -2.33 0.00 0.00 43.42 41.94 1xl5 n LEU 5 CO 0.55 0.80 0.97 -0.50 -1.33 0.00 0.00 177.39 177.88 1xl5 h TRP 6 N 0.54 0.00 -3.21 -1.77 4.06 -2.06 -3.43 115.95 110.08 1xl5 h TRP 6 Ca 0.01 0.00 -0.42 0.00 2.06 0.00 0.00 58.89 60.54 1xl5 h TRP 6 Cb 1.13 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.15 1xl5 h TRP 6 CO 0.24 0.09 -0.62 1.14 -3.56 0.00 0.00 178.44 175.72 1xl5 s GLN 7 N -3.90 1.51 0.24 0.49 -2.07 -1.26 -5.11 119.66 109.55 1xl5 s GLN 7 Ca -0.01 -1.81 -0.31 0.00 -1.82 0.00 0.00 55.36 51.40 1xl5 s GLN 7 Cb 0.11 -0.65 -0.13 0.00 -1.09 0.00 0.00 33.01 31.26 1xl5 s GLN 7 CO 0.56 -0.19 1.57 0.54 -1.32 0.00 0.00 175.29 176.46 1xl5 n ARG 8 N -0.56 2.45 -1.99 9.60 1.74 -1.26 -4.87 116.66 121.77 1xl5 n ARG 8 Ca -0.02 0.88 -0.42 0.00 -0.77 0.00 0.00 57.85 57.52 1xl5 n ARG 8 Cb 0.66 -2.64 -0.01 0.00 -1.02 0.00 0.00 32.46 29.45 1xl5 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1xl5 n PRO 9 N 2.75 2.79 -3.24 5.56 -0.04 -1.26 -4.94 135.00 136.62 1xl5 n PRO 9 Ca 0.12 -2.76 -0.38 0.00 -0.04 0.00 0.00 63.50 60.44 1xl5 n PRO 9 Cb 0.34 -3.35 -0.06 0.00 -0.04 0.00 0.00 33.50 30.39 1xl5 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xl5 s LEU 10 N 3.25 4.31 0.23 1.53 1.43 -1.26 -0.92 118.68 127.24 1xl5 s LEU 10 Ca 0.51 0.96 0.02 0.00 -1.03 0.00 0.00 54.13 54.58 1xl5 s LEU 10 Cb 0.10 -2.82 -0.05 0.00 0.03 0.00 0.00 46.19 43.45 1xl5 s LEU 10 CO -0.00 -0.01 0.06 0.68 0.23 0.00 0.00 176.35 177.31 1xl5 s VAL 11 N 0.51 0.64 -0.12 -1.59 -7.23 0.27 -4.93 120.40 107.95 1xl5 s VAL 11 Ca 0.29 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.30 1xl5 s VAL 11 Cb -0.16 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 1xl5 s VAL 11 CO 0.13 -0.19 0.44 -0.89 -0.31 0.00 0.00 175.10 174.28 1xl5 s THR 12 N -3.70 5.20 0.31 5.32 2.01 -1.26 -0.34 115.64 123.18 1xl5 s THR 12 Ca 0.32 0.88 0.10 0.00 0.31 0.00 0.00 61.69 63.30 1xl5 s THR 12 Cb 0.07 -3.78 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 1xl5 s THR 12 CO 0.10 0.35 -0.02 0.27 -0.69 0.00 0.00 174.62 174.63 1xl5 s ILE 13 N 0.51 2.89 -0.07 1.82 -4.36 0.39 -1.48 121.20 120.89 1xl5 s ILE 13 Ca 0.24 -2.01 0.01 0.00 -0.26 0.00 0.00 60.65 58.63 1xl5 s ILE 13 Cb -0.15 -2.74 0.02 0.00 1.25 0.00 0.00 42.46 40.84 1xl5 s ILE 13 CO 0.09 -0.29 -0.07 -0.75 0.24 0.00 0.00 174.94 174.17 1xl5 s LYS 14 N -3.68 1.27 -0.13 0.37 2.20 -0.15 -1.41 119.74 118.22 1xl5 s LYS 14 Ca 0.33 -0.22 -0.09 0.00 -0.36 0.00 0.00 55.97 55.63 1xl5 s LYS 14 Cb -0.03 -1.25 0.04 0.00 -1.51 0.00 0.00 37.83 35.09 1xl5 s LYS 14 CO 0.19 -0.13 0.32 -1.50 -0.36 0.00 0.00 175.35 173.87 1xl5 s ILE 15 N 1.19 -0.02 -1.79 5.43 2.07 -0.50 -0.97 121.20 126.61 1xl5 s ILE 15 Ca -0.06 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1xl5 s ILE 15 Cb -0.14 -0.46 0.00 0.00 0.13 0.00 0.00 42.46 41.99 1xl5 s ILE 15 CO -0.02 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.65 1xl5 n GLY 16 N 3.56 -0.31 2.88 1.50 0.00 -1.26 -1.92 105.19 109.64 1xl5 n GLY 16 Ca -0.19 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1xl5 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xl5 n GLY 17 N -0.98 1.02 3.46 -0.02 0.00 -1.26 -5.01 105.19 102.40 1xl5 n GLY 17 Ca -0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 1xl5 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xl5 s GLN 18 N -0.04 2.09 0.03 1.61 -1.52 -0.81 -5.11 119.66 115.90 1xl5 s GLN 18 Ca 0.00 -0.97 -0.21 0.00 -1.95 0.00 0.00 55.36 52.23 1xl5 s GLN 18 Cb 0.00 -2.19 -0.06 0.00 -0.22 0.00 0.00 33.01 30.54 1xl5 s GLN 18 CO 0.00 0.54 0.63 -0.51 -0.25 0.00 0.00 175.29 175.70 1xl5 s LEU 19 N -1.40 4.45 0.04 2.90 1.43 -1.26 -1.41 118.68 123.43 1xl5 s LEU 19 Ca 0.14 1.26 -0.01 0.00 -1.03 0.00 0.00 54.13 54.49 1xl5 s LEU 19 Cb -0.10 -2.99 -0.03 0.00 0.03 0.00 0.00 46.19 43.09 1xl5 s LEU 19 CO 0.05 0.13 -0.02 -0.54 0.23 0.00 0.00 176.35 176.20 1xl5 s LYS 20 N -0.40 0.49 -0.03 1.70 1.02 -0.50 -4.98 119.74 117.04 1xl5 s LYS 20 Ca 0.32 -0.93 -0.15 0.00 0.02 0.00 0.00 55.97 55.23 1xl5 s LYS 20 Cb -0.19 0.17 -0.05 0.00 -0.52 0.00 0.00 37.83 37.24 1xl5 s LYS 20 CO 0.19 -0.09 0.40 -2.00 -0.92 0.00 0.00 175.35 172.93 1xl5 s GLU 21 N -2.83 3.98 0.05 1.68 2.12 -1.26 -0.46 118.70 121.98 1xl5 s GLU 21 Ca -0.03 0.37 -0.09 0.00 0.36 0.00 0.00 54.97 55.58 1xl5 s GLU 21 Cb 0.00 -3.26 0.00 0.00 0.26 0.00 0.00 34.13 31.13 1xl5 s GLU 21 CO -0.06 0.59 0.18 0.00 -0.54 0.00 0.00 175.26 175.43 1xl5 s ALA 22 N -0.73 -0.29 -0.21 6.30 0.00 0.54 -4.53 121.76 122.83 1xl5 s ALA 22 Ca 0.23 -0.39 -0.16 0.00 0.00 0.00 0.00 51.96 51.63 1xl5 s ALA 22 Cb -0.16 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 1xl5 s ALA 22 CO 0.12 -0.39 0.43 -1.17 0.00 0.00 0.00 175.76 174.75 1xl5 s LEU 23 N -2.26 4.13 -0.32 0.00 2.96 -0.10 -0.57 118.68 122.51 1xl5 s LEU 23 Ca -0.03 0.52 -0.29 0.00 -0.22 0.00 0.00 54.13 54.12 1xl5 s LEU 23 Cb 0.00 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 44.13 1xl5 s LEU 23 CO -0.06 -0.13 1.37 -0.76 -1.32 0.00 0.00 176.35 175.45 1xl5 s LEU 24 N 1.57 3.80 -0.35 -0.68 1.43 -0.10 -1.00 118.68 123.35 1xl5 s LEU 24 Ca 0.20 1.14 0.02 0.00 -1.03 0.00 0.00 54.13 54.46 1xl5 s LEU 24 Cb -0.15 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.64 1xl5 s LEU 24 CO 0.09 -1.20 0.11 -0.62 0.23 0.00 0.00 176.35 174.95 1xl5 s ASP 25 N 3.28 4.32 0.02 2.29 -1.08 -0.45 -4.79 116.67 120.27 1xl5 s ASP 25 Ca 0.59 -2.07 0.18 0.00 -0.52 0.00 0.00 52.55 50.73 1xl5 s ASP 25 Cb -0.17 -1.26 0.77 0.00 -1.46 0.00 0.00 42.92 40.81 1xl5 s ASP 25 CO 0.26 -0.37 1.58 0.35 0.52 0.00 0.00 175.17 177.52 1xl5 n THR 26 N 4.32 0.78 1.66 1.71 -2.24 -1.26 -2.01 114.28 117.24 1xl5 n THR 26 Ca 0.02 0.19 0.15 0.00 -2.27 0.00 0.00 64.05 62.14 1xl5 n THR 26 Cb 0.40 -0.91 0.81 0.00 -2.10 0.00 0.00 70.33 68.54 1xl5 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xl5 n GLY 27 N 0.32 -1.09 3.32 3.38 0.00 -1.26 -4.81 105.19 105.04 1xl5 n GLY 27 Ca 0.04 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 1xl5 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xl5 s ALA 28 N -2.31 2.62 0.23 4.61 0.00 -0.85 -5.00 121.76 121.05 1xl5 s ALA 28 Ca 0.37 -1.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.30 1xl5 s ALA 28 Cb 0.21 -1.32 0.25 0.00 0.00 0.00 0.00 23.12 22.25 1xl5 s ALA 28 CO 0.42 -0.01 1.64 -0.44 0.00 0.00 0.00 175.76 177.37 1xl5 h ASP 29 N 7.24 0.65 -3.63 0.00 3.32 -1.87 0.16 116.42 122.29 1xl5 h ASP 29 Ca -0.32 -0.25 -0.43 0.00 0.02 0.00 0.00 57.03 56.05 1xl5 h ASP 29 Cb 1.19 -0.18 -0.14 0.00 0.22 0.00 0.00 39.33 40.42 1xl5 h ASP 29 CO 0.58 0.91 -0.61 -1.81 -1.72 0.00 0.00 179.24 176.58 1xl5 s ASP 30 N -6.80 2.01 -0.20 6.45 1.01 -1.26 -2.46 116.67 115.42 1xl5 s ASP 30 Ca -0.08 -1.38 -0.13 0.00 0.71 0.00 0.00 52.55 51.67 1xl5 s ASP 30 Cb 0.13 -0.01 -0.04 0.00 1.01 0.00 0.00 42.92 44.01 1xl5 s ASP 30 CO 0.82 -0.64 0.28 -0.89 0.21 0.00 0.00 175.17 174.95 1xl5 s THR 31 N -3.43 5.29 -0.04 -1.27 2.01 -1.26 -3.49 115.64 113.45 1xl5 s THR 31 Ca 0.37 0.47 0.00 0.00 0.31 0.00 0.00 61.69 62.84 1xl5 s THR 31 Cb 0.08 -3.62 0.02 0.00 0.01 0.00 0.00 72.50 69.00 1xl5 s THR 31 CO 0.15 0.33 -0.02 0.54 -0.69 0.00 0.00 174.62 174.93 1xl5 s VAL 32 N 0.94 0.37 0.19 3.82 0.11 -0.34 -0.69 120.40 124.79 1xl5 s VAL 32 Ca 0.14 -0.01 0.10 0.00 -2.93 0.00 0.00 61.98 59.28 1xl5 s VAL 32 Cb -0.14 -0.44 -0.04 0.00 -1.53 0.00 0.00 36.38 34.23 1xl5 s VAL 32 CO 0.05 0.20 -0.15 -0.76 -3.33 0.00 0.00 175.10 171.11 1xl5 s LEU 33 N 1.09 2.76 0.69 2.54 1.43 0.36 -0.60 118.68 126.95 1xl5 s LEU 33 Ca -0.09 -0.69 -0.17 0.00 -1.03 0.00 0.00 54.13 52.16 1xl5 s LEU 33 Cb -0.14 -1.47 -0.00 0.00 0.03 0.00 0.00 46.19 44.61 1xl5 s LEU 33 CO -0.01 0.11 1.08 -0.62 0.23 0.00 0.00 176.35 177.14 1xl5 n GLU 34 N 0.13 0.73 -1.51 1.70 1.02 -1.26 -1.49 120.64 119.95 1xl5 n GLU 34 Ca -0.11 0.30 -0.58 0.00 -0.02 0.00 0.00 57.16 56.75 1xl5 n GLU 34 Cb 0.56 -2.32 -0.08 0.00 -0.02 0.00 0.00 31.44 29.58 1xl5 n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1xl5 n GLU 35 N -1.84 0.15 -3.63 3.49 4.07 -1.25 -4.68 120.64 116.95 1xl5 n GLU 35 Ca 0.14 0.06 -0.06 0.00 -0.06 0.00 0.00 57.16 57.23 1xl5 n GLU 35 Cb 0.49 -1.57 -0.02 0.00 -0.06 0.00 0.00 31.44 30.28 1xl5 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1xl5 s MET 36 N 0.06 1.08 -0.11 5.31 0.23 -1.26 -5.05 119.30 119.55 1xl5 s MET 36 Ca 0.90 -0.51 -0.18 0.00 -1.03 0.00 0.00 55.69 54.86 1xl5 s MET 36 Cb -1.22 0.42 -0.04 0.00 -1.53 0.00 0.00 34.83 32.46 1xl5 s MET 36 CO 0.56 -0.49 0.48 -1.12 -2.03 0.00 0.00 175.02 172.42 1xl5 s SER 37 N -2.73 6.69 0.10 -1.18 0.01 -1.26 -5.07 113.70 110.26 1xl5 s SER 37 Ca 0.08 0.82 0.05 0.00 1.31 0.00 0.00 55.95 58.21 1xl5 s SER 37 Cb -0.01 -2.29 -0.04 0.00 0.21 0.00 0.00 66.02 63.89 1xl5 s SER 37 CO -0.04 0.01 -0.12 -0.76 0.41 0.00 0.00 173.24 172.75 1xl5 s LEU 38 N 0.58 2.39 0.62 2.44 1.43 -1.26 -4.98 118.68 119.90 1xl5 s LEU 38 Ca 0.26 -0.78 -0.11 0.00 -1.03 0.00 0.00 54.13 52.46 1xl5 s LEU 38 Cb -0.15 -0.41 -0.04 0.00 0.03 0.00 0.00 46.19 45.62 1xl5 s LEU 38 CO 0.10 -0.20 1.03 -2.16 0.23 0.00 0.00 176.35 175.35 1xl5 s PRO 39 N -2.60 3.59 0.37 1.29 0.04 -1.26 -4.97 135.00 131.46 1xl5 s PRO 39 Ca 0.05 0.77 0.00 0.00 0.04 0.00 0.00 61.00 61.86 1xl5 s PRO 39 Cb -0.05 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1xl5 s PRO 39 CO 0.01 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 176.88 1xl5 n GLY 40 N -2.67 -1.82 3.91 0.56 0.00 -1.26 -4.92 105.19 98.99 1xl5 n GLY 40 Ca 0.06 -1.84 -0.28 0.00 0.00 0.00 0.00 46.02 43.97 1xl5 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xl5 s ARG 41 N 0.00 3.60 0.28 1.61 0.52 -1.26 -5.11 118.95 118.58 1xl5 s ARG 41 Ca 0.00 -0.05 0.08 0.00 -0.52 0.00 0.00 55.73 55.24 1xl5 s ARG 41 Cb 0.00 -2.63 -0.06 0.00 0.52 0.00 0.00 34.95 32.78 1xl5 s ARG 41 CO 0.00 0.17 -0.10 1.67 0.02 0.00 0.00 175.30 177.06 1xl5 s TRP 42 N -2.17 2.07 0.17 -0.53 1.48 -1.26 -4.66 118.94 114.03 1xl5 s TRP 42 Ca 0.43 -0.57 0.08 0.00 -1.06 0.00 0.00 56.10 54.98 1xl5 s TRP 42 Cb -0.10 -1.10 -0.04 0.00 -1.16 0.00 0.00 33.47 31.06 1xl5 s TRP 42 CO 0.32 0.43 -0.18 0.15 -4.06 0.00 0.00 176.95 173.62 1xl5 s LYS 43 N -3.65 1.26 0.38 3.25 -0.14 -0.47 -4.91 119.74 115.46 1xl5 s LYS 43 Ca 0.29 -1.41 -0.23 0.00 -1.36 0.00 0.00 55.97 53.26 1xl5 s LYS 43 Cb 0.01 -1.28 -0.10 0.00 -1.68 0.00 0.00 37.83 34.78 1xl5 s LYS 43 CO 0.13 0.25 0.95 -1.25 -0.76 0.00 0.00 175.35 174.67 1xl5 s PRO 44 N -2.86 4.39 -0.07 -1.68 0.04 -1.26 0.02 135.00 133.57 1xl5 s PRO 44 Ca 0.16 1.23 -0.16 0.00 0.04 0.00 0.00 61.00 62.27 1xl5 s PRO 44 Cb -0.05 -2.48 0.03 0.00 0.04 0.00 0.00 34.50 32.04 1xl5 s PRO 44 CO 0.06 0.11 0.38 0.21 0.04 0.00 0.00 177.00 177.80 1xl5 s LYS 45 N -2.63 0.63 -0.14 4.56 2.20 -0.99 -4.83 119.74 118.52 1xl5 s LYS 45 Ca 0.56 0.14 -0.03 0.00 -0.36 0.00 0.00 55.97 56.29 1xl5 s LYS 45 Cb -0.14 0.29 -0.02 0.00 -1.51 0.00 0.00 37.83 36.44 1xl5 s LYS 45 CO 0.19 -0.15 -0.06 -1.64 -0.36 0.00 0.00 175.35 173.33 1xl5 s MET 46 N -0.71 3.56 0.02 4.03 -1.94 -1.26 -1.27 119.30 121.72 1xl5 s MET 46 Ca -0.08 -0.55 0.06 0.00 -1.71 0.00 0.00 55.69 53.41 1xl5 s MET 46 Cb -0.04 -2.84 -0.02 0.00 2.01 0.00 0.00 34.83 33.95 1xl5 s MET 46 CO 0.03 0.26 -0.19 0.96 -0.01 0.00 0.00 175.02 176.07 1xl5 s ILE 47 N 0.29 1.53 -0.18 2.53 -4.36 -0.49 -4.97 121.20 115.55 1xl5 s ILE 47 Ca -0.05 -1.00 -0.05 0.00 -0.26 0.00 0.00 60.65 59.29 1xl5 s ILE 47 Cb -0.14 -1.31 -0.03 0.00 1.25 0.00 0.00 42.46 42.23 1xl5 s ILE 47 CO 0.03 0.29 0.01 -0.83 0.24 0.00 0.00 174.94 174.68 1xl5 s GLY 48 N -0.83 1.79 0.00 6.27 0.00 -1.26 -1.32 107.32 111.97 1xl5 s GLY 48 Ca 0.07 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 43.96 1xl5 s GLY 48 CO 0.01 0.05 0.00 0.61 0.00 0.00 0.00 173.10 173.76 1xl5 n GLY 49 N 3.70 6.59 0.26 0.20 0.00 -0.10 -4.99 105.19 110.85 1xl5 n GLY 49 Ca -0.17 -1.83 0.01 0.00 0.00 0.00 0.00 46.02 44.03 1xl5 n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1xl5 h ILE 50 N 0.00 1.19 -0.01 -0.61 6.09 -2.03 -2.97 117.51 119.17 1xl5 h ILE 50 Ca 0.00 -0.78 0.00 0.00 -1.37 0.00 0.00 64.86 62.71 1xl5 h ILE 50 Cb 0.00 1.08 0.00 0.00 0.47 0.00 0.00 36.82 38.37 1xl5 h ILE 50 CO 0.00 0.25 -0.66 0.61 -3.07 0.00 0.00 178.15 175.28 1xl5 n GLY 51 N -0.88 -0.39 0.00 8.18 0.00 -1.26 -5.09 105.19 105.76 1xl5 n GLY 51 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1xl5 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xl5 n GLY 52 N 1.39 0.61 3.72 -0.02 0.00 -1.12 -5.11 105.19 104.65 1xl5 n GLY 52 Ca 0.06 -1.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.01 1xl5 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xl5 s PHE 53 N -2.66 3.15 0.16 1.61 0.08 -1.26 -0.92 117.98 118.14 1xl5 s PHE 53 Ca 0.00 0.12 0.07 0.00 0.12 0.00 0.00 56.93 57.24 1xl5 s PHE 53 Cb 0.00 -1.68 -0.04 0.00 -0.57 0.00 0.00 43.02 40.73 1xl5 s PHE 53 CO 0.00 0.50 -0.15 0.96 -0.10 0.00 0.00 175.22 176.43 1xl5 s ILE 54 N -1.16 1.57 -0.11 0.64 -4.36 -0.43 -4.98 121.20 112.38 1xl5 s ILE 54 Ca 0.22 -1.93 -0.13 0.00 -0.26 0.00 0.00 60.65 58.54 1xl5 s ILE 54 Cb -0.12 -1.78 -0.05 0.00 1.25 0.00 0.00 42.46 41.76 1xl5 s ILE 54 CO 0.13 -0.46 0.30 -0.54 0.24 0.00 0.00 174.94 174.61 1xl5 s LYS 55 N -3.05 4.02 0.19 0.37 1.02 -1.26 -1.40 119.74 119.63 1xl5 s LYS 55 Ca 0.15 0.15 0.02 0.00 0.02 0.00 0.00 55.97 56.32 1xl5 s LYS 55 Cb -0.03 -3.33 -0.05 0.00 -0.52 0.00 0.00 37.83 33.90 1xl5 s LYS 55 CO 0.05 0.46 -0.00 0.14 -0.92 0.00 0.00 175.35 175.08 1xl5 s VAL 56 N -0.22 0.81 -0.18 3.17 -7.23 -0.40 -4.65 120.40 111.70 1xl5 s VAL 56 Ca 0.19 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.22 1xl5 s VAL 56 Cb -0.14 -2.21 -0.05 0.00 0.56 0.00 0.00 36.38 34.55 1xl5 s VAL 56 CO 0.07 -0.41 0.27 -0.13 -0.31 0.00 0.00 175.10 174.58 1xl5 s ARG 57 N -3.90 4.23 -0.31 4.82 0.52 -0.12 -2.36 118.95 121.84 1xl5 s ARG 57 Ca 0.26 0.03 -0.10 0.00 -0.52 0.00 0.00 55.73 55.40 1xl5 s ARG 57 Cb 0.06 -3.45 -0.02 0.00 0.52 0.00 0.00 34.95 32.06 1xl5 s ARG 57 CO 0.06 0.20 0.17 -1.14 0.02 0.00 0.00 175.30 174.61 1xl5 s GLN 58 N 0.59 3.50 -0.14 3.54 0.74 0.10 -0.85 119.66 127.14 1xl5 s GLN 58 Ca 0.15 -0.62 -0.03 0.00 0.05 0.00 0.00 55.36 54.91 1xl5 s GLN 58 Cb -0.13 -3.62 -0.03 0.00 1.10 0.00 0.00 33.01 30.34 1xl5 s GLN 58 CO 0.03 -0.36 -0.04 0.71 -0.55 0.00 0.00 175.29 175.08 1xl5 s TYR 59 N 1.66 3.03 0.17 1.67 1.51 -0.43 -1.36 117.35 123.60 1xl5 s TYR 59 Ca 0.06 -0.24 0.05 0.00 -1.01 0.00 0.00 57.07 55.93 1xl5 s TYR 59 Cb -0.17 -1.93 -0.04 0.00 -0.11 0.00 0.00 41.96 39.71 1xl5 s TYR 59 CO 0.08 0.03 0.16 -0.51 -1.11 0.00 0.00 175.55 174.19 1xl5 s ASP 60 N 0.20 5.61 -1.35 2.29 1.01 -1.26 -0.23 116.67 122.94 1xl5 s ASP 60 Ca -0.02 -0.10 -0.03 0.00 0.71 0.00 0.00 52.55 53.11 1xl5 s ASP 60 Cb -0.14 -1.49 -0.00 0.00 1.01 0.00 0.00 42.92 42.30 1xl5 s ASP 60 CO 0.03 0.06 0.53 1.67 0.21 0.00 0.00 175.17 177.67 1xl5 n GLN 61 N -0.42 -3.41 -3.70 8.23 7.27 -1.15 -4.90 117.38 119.30 1xl5 n GLN 61 Ca -0.08 0.46 -0.36 0.00 0.07 0.00 0.00 57.00 57.09 1xl5 n GLN 61 Cb 0.55 -4.63 -0.07 0.00 2.41 0.00 0.00 30.24 28.50 1xl5 n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1xl5 s ILE 62 N -3.83 5.37 0.05 1.69 -1.09 -0.00 -4.73 121.20 118.67 1xl5 s ILE 62 Ca 0.06 0.36 -0.30 0.00 -2.23 0.00 0.00 60.65 58.54 1xl5 s ILE 62 Cb -0.02 -3.52 -0.05 0.00 -1.58 0.00 0.00 42.46 37.29 1xl5 s ILE 62 CO 0.87 0.50 1.16 -0.76 -1.23 0.00 0.00 174.94 175.47 1xl5 s LEU 63 N -0.18 4.37 -0.12 2.97 1.02 -1.26 -1.30 118.68 124.18 1xl5 s LEU 63 Ca 0.14 1.96 -0.09 0.00 0.02 0.00 0.00 54.13 56.16 1xl5 s LEU 63 Cb -0.12 -3.58 0.04 0.00 0.02 0.00 0.00 46.19 42.55 1xl5 s LEU 63 CO 0.03 -0.43 0.31 -0.51 0.02 0.00 0.00 176.35 175.77 1xl5 s ILE 64 N 1.03 -0.01 -0.06 -0.59 2.07 -0.23 -4.48 121.20 118.91 1xl5 s ILE 64 Ca 0.57 0.05 -0.02 0.00 -1.41 0.00 0.00 60.65 59.85 1xl5 s ILE 64 Cb -0.28 -0.45 -0.04 0.00 0.13 0.00 0.00 42.46 41.82 1xl5 s ILE 64 CO 0.29 0.02 0.04 -1.61 -1.91 0.00 0.00 174.94 171.77 1xl5 s GLU 65 N 0.63 3.04 -0.19 3.50 2.02 -0.14 -0.01 118.70 127.55 1xl5 s GLU 65 Ca -0.04 -0.41 0.00 0.00 0.02 0.00 0.00 54.97 54.54 1xl5 s GLU 65 Cb -0.05 -2.85 0.04 0.00 0.10 0.00 0.00 34.13 31.37 1xl5 s GLU 65 CO -0.04 0.69 -0.09 0.42 0.02 0.00 0.00 175.26 176.26 1xl5 s ILE 66 N -1.00 1.49 -1.54 -1.63 1.01 -0.00 -0.98 121.20 118.55 1xl5 s ILE 66 Ca 0.17 -0.89 -0.05 0.00 0.00 0.00 0.00 60.65 59.88 1xl5 s ILE 66 Cb -0.12 -1.59 0.04 0.00 0.01 0.00 0.00 42.46 40.81 1xl5 s ILE 66 CO 0.06 0.17 0.33 0.00 0.00 0.00 0.00 174.94 175.50 1xl5 n GLY 68 N -2.05 2.96 3.66 0.00 0.00 -1.26 -4.99 105.19 103.50 1xl5 n GLY 68 Ca -0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 1xl5 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xl5 s HIS 69 N -2.63 3.34 0.09 1.61 4.02 0.47 -5.00 115.29 117.18 1xl5 s HIS 69 Ca 0.00 1.36 -0.30 0.00 1.02 0.00 0.00 55.06 57.14 1xl5 s HIS 69 Cb 0.00 -3.19 -0.06 0.00 -1.02 0.00 0.00 32.58 28.31 1xl5 s HIS 69 CO 0.00 -0.44 1.10 0.15 1.02 0.00 0.00 174.74 176.56 1xl5 s LYS 70 N 3.04 4.54 0.13 1.40 1.02 -1.26 -0.82 119.74 127.78 1xl5 s LYS 70 Ca 0.41 1.64 0.04 0.00 0.02 0.00 0.00 55.97 58.08 1xl5 s LYS 70 Cb -0.15 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 1xl5 s LYS 70 CO 0.07 -0.06 -0.09 0.00 -0.92 0.00 0.00 175.35 174.34 1xl5 s ALA 71 N 0.55 1.30 -0.09 5.17 0.00 0.99 -4.97 121.76 124.71 1xl5 s ALA 71 Ca 0.53 -1.44 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 1xl5 s ALA 71 Cb -0.27 0.08 0.04 0.00 0.00 0.00 0.00 23.12 22.97 1xl5 s ALA 71 CO 0.31 -0.14 0.05 0.42 0.00 0.00 0.00 175.76 176.40 1xl5 s ILE 72 N -3.40 0.05 0.00 0.00 1.01 -1.26 -1.07 121.20 116.52 1xl5 s ILE 72 Ca 0.15 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.94 1xl5 s ILE 72 Cb 0.03 -0.40 0.00 0.00 0.01 0.00 0.00 42.46 42.10 1xl5 s ILE 72 CO -0.01 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.59 1xl5 n GLY 73 N 5.24 1.13 3.72 6.18 0.00 -0.42 -4.80 105.19 116.24 1xl5 n GLY 73 Ca -0.05 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 1xl5 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xl5 s THR 74 N -2.31 4.76 -0.09 2.61 2.01 -1.26 -0.82 115.64 120.53 1xl5 s THR 74 Ca 0.00 2.05 0.02 0.00 0.31 0.00 0.00 61.69 64.08 1xl5 s THR 74 Cb 0.00 -4.32 0.01 0.00 0.01 0.00 0.00 72.50 68.20 1xl5 s THR 74 CO 0.00 0.21 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.29 1xl5 s VAL 75 N 0.69 1.47 0.06 3.82 1.01 0.69 -4.60 120.40 123.54 1xl5 s VAL 75 Ca 0.50 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.77 1xl5 s VAL 75 Cb -0.22 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 1xl5 s VAL 75 CO 0.28 0.43 0.29 -0.76 0.00 0.00 0.00 175.10 175.35 1xl5 s LEU 76 N 0.72 4.34 -0.06 3.92 1.43 0.14 -1.32 118.68 127.84 1xl5 s LEU 76 Ca -0.13 0.53 0.03 0.00 -1.03 0.00 0.00 54.13 53.53 1xl5 s LEU 76 Cb -0.16 -2.91 0.01 0.00 0.03 0.00 0.00 46.19 43.16 1xl5 s LEU 76 CO 0.03 0.18 -0.13 -0.69 0.23 0.00 0.00 176.35 175.97 1xl5 s VAL 77 N -1.44 1.19 -1.64 -1.59 1.01 -0.03 -0.49 120.40 117.41 1xl5 s VAL 77 Ca 0.33 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1xl5 s VAL 77 Cb -0.13 -1.08 0.00 0.00 0.00 0.00 0.00 36.38 35.18 1xl5 s VAL 77 CO 0.20 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1xl5 n GLY 78 N 3.73 -1.48 2.65 4.51 0.00 -0.56 -0.94 105.19 113.10 1xl5 n GLY 78 Ca -0.22 -1.02 -0.36 0.00 0.00 0.00 0.00 46.02 44.41 1xl5 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xl5 n PRO 79 N -0.15 2.64 -3.12 1.61 -0.04 -1.26 -3.91 135.00 130.76 1xl5 n PRO 79 Ca 0.00 -2.05 -0.36 0.00 -0.04 0.00 0.00 63.50 61.06 1xl5 n PRO 79 Cb 0.00 -2.86 -0.06 0.00 -0.04 0.00 0.00 33.50 30.54 1xl5 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1xl5 s THR 80 N 3.30 4.60 0.40 0.52 -1.32 -1.26 -4.98 115.64 116.90 1xl5 s THR 80 Ca 0.54 1.22 0.23 0.00 -1.21 0.00 0.00 61.69 62.47 1xl5 s THR 80 Cb 0.14 -3.83 0.24 0.00 -1.51 0.00 0.00 72.50 67.55 1xl5 s THR 80 CO -0.03 0.19 2.01 1.55 -2.21 0.00 0.00 174.62 176.13 1xl5 h PRO 81 N 3.36 0.00 -2.56 7.08 0.13 -1.97 -3.45 132.00 134.59 1xl5 h PRO 81 Ca -0.48 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.57 1xl5 h PRO 81 Cb 1.19 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.13 1xl5 h PRO 81 CO 0.65 0.17 -0.02 0.54 -0.23 0.00 0.00 178.00 179.12 1xl5 s VAL 82 N -4.24 0.03 0.18 1.56 0.11 -1.26 -5.11 120.40 111.67 1xl5 s VAL 82 Ca -0.03 -0.24 -0.32 0.00 -2.93 0.00 0.00 61.98 58.47 1xl5 s VAL 82 Cb 0.14 -0.86 -0.11 0.00 -1.53 0.00 0.00 36.38 34.01 1xl5 s VAL 82 CO 0.63 -0.13 1.72 0.20 -3.33 0.00 0.00 175.10 174.19 1xl5 s ASN 83 N -1.43 6.42 -0.12 3.54 0.01 -1.26 -4.81 114.94 117.29 1xl5 s ASN 83 Ca -0.11 2.80 0.02 0.00 -0.71 0.00 0.00 52.86 54.86 1xl5 s ASN 83 Cb -0.02 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 39.06 1xl5 s ASN 83 CO 0.05 -0.96 -0.17 -0.63 -1.51 0.00 0.00 177.10 173.88 1xl5 s ILE 84 N 1.56 1.69 -0.33 0.60 1.01 0.23 -0.92 121.20 125.05 1xl5 s ILE 84 Ca 0.75 -0.75 -0.19 0.00 0.00 0.00 0.00 60.65 60.47 1xl5 s ILE 84 Cb -0.48 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 1xl5 s ILE 84 CO 0.33 0.48 0.55 -0.63 0.00 0.00 0.00 174.94 175.67 1xl5 s ILE 85 N 0.98 4.99 0.31 2.92 -1.09 -0.17 -1.20 121.20 127.95 1xl5 s ILE 85 Ca -0.06 0.56 0.04 0.00 -2.23 0.00 0.00 60.65 58.96 1xl5 s ILE 85 Cb -0.15 -3.96 0.04 0.00 -1.58 0.00 0.00 42.46 36.81 1xl5 s ILE 85 CO -0.03 -0.16 0.34 0.61 -1.23 0.00 0.00 174.94 174.47 1xl5 n GLY 86 N 4.65 2.38 0.25 6.18 0.00 -1.23 -1.33 105.19 116.08 1xl5 n GLY 86 Ca -0.04 -2.21 0.09 0.00 0.00 0.00 0.00 46.02 43.87 1xl5 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1xl5 h ARG 87 N 0.00 0.00 -0.90 1.61 3.08 -0.61 -1.76 114.38 115.79 1xl5 h ARG 87 Ca -0.17 0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.94 1xl5 h ARG 87 Cb 0.68 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.67 1xl5 h ARG 87 CO 0.25 0.12 0.59 -2.95 -1.07 0.00 0.00 179.97 176.90 1xl5 h ASN 88 N 0.00 0.91 0.42 7.04 -1.07 -1.75 -0.76 115.58 120.38 1xl5 h ASN 88 Ca -0.00 0.00 -0.24 0.00 0.07 0.00 0.00 56.30 56.13 1xl5 h ASN 88 Cb 0.24 -0.19 -0.04 0.00 -2.07 0.00 0.00 38.32 36.25 1xl5 h ASN 88 CO 0.02 0.59 -1.77 0.18 0.07 0.00 0.00 177.43 176.52 1xl5 n LEU 89 N -4.48 0.60 -0.32 6.14 4.77 -0.73 -3.51 117.00 119.48 1xl5 n LEU 89 Ca 0.13 0.27 -0.01 0.00 -0.03 0.00 0.00 56.01 56.37 1xl5 n LEU 89 Cb 0.18 0.20 0.15 0.00 -2.33 0.00 0.00 43.42 41.62 1xl5 n LEU 89 CO 0.33 0.29 1.26 -0.07 -1.33 0.00 0.00 177.39 177.87 1xl5 h LEU 90 N 0.00 1.05 -0.66 2.23 3.38 -1.12 -1.42 115.31 118.77 1xl5 h LEU 90 Ca -0.28 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.56 1xl5 h LEU 90 Cb 1.83 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 42.29 1xl5 h LEU 90 CO 0.05 0.77 0.04 0.71 0.09 0.00 0.00 178.44 180.10 1xl5 h THR 91 N 1.23 1.26 -0.05 0.22 1.35 -1.28 0.22 112.91 115.86 1xl5 h THR 91 Ca 0.33 -1.11 -0.04 0.00 -0.55 0.00 0.00 66.41 65.04 1xl5 h THR 91 Cb -0.12 0.73 -0.01 0.00 -1.73 0.00 0.00 68.15 67.03 1xl5 h THR 91 CO -0.07 0.41 -0.15 -0.61 -0.25 0.00 0.00 175.52 174.85 1xl5 h GLN 92 N 1.00 0.08 -0.27 4.72 4.15 -1.33 -2.19 115.11 121.27 1xl5 h GLN 92 Ca 0.18 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.59 1xl5 h GLN 92 Cb 0.51 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.19 1xl5 h GLN 92 CO 0.02 0.24 0.00 0.44 -1.93 0.00 0.00 178.83 177.60 1xl5 n ILE 93 N -4.32 0.34 -1.41 2.39 -5.35 -0.71 -4.93 119.36 105.38 1xl5 n ILE 93 Ca -0.02 -0.57 0.00 0.00 -0.27 0.00 0.00 62.75 61.90 1xl5 n ILE 93 Cb 0.24 0.79 0.00 0.00 -1.74 0.00 0.00 39.64 38.93 1xl5 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xl5 n GLY 94 N 1.35 0.85 3.77 3.28 0.00 -0.82 -5.04 105.19 108.57 1xl5 n GLY 94 Ca 0.18 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 1xl5 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xl5 s THR 96 N -0.69 0.65 -0.06 0.00 -4.23 -1.26 -4.65 115.64 105.39 1xl5 s THR 96 Ca 0.35 -1.95 -0.14 0.00 -1.18 0.00 0.00 61.69 58.77 1xl5 s THR 96 Cb -0.21 -1.88 -0.05 0.00 1.34 0.00 0.00 72.50 71.69 1xl5 s THR 96 CO 0.23 -0.69 0.35 -0.76 -0.54 0.00 0.00 174.62 173.22 1xl5 s LEU 97 N -3.10 4.39 -0.02 4.79 1.43 -1.26 -5.10 118.68 119.81 1xl5 s LEU 97 Ca 0.18 0.78 0.02 0.00 -1.03 0.00 0.00 54.13 54.07 1xl5 s LEU 97 Cb 0.06 -2.48 0.01 0.00 0.03 0.00 0.00 46.19 43.80 1xl5 s LEU 97 CO -0.01 0.25 -0.07 0.20 0.23 0.00 0.00 176.35 176.96 1xl5 s ASN 98 N -0.54 0.94 0.00 2.29 0.01 -1.26 -5.29 114.94 111.10 1xl5 s ASN 98 Ca 0.21 -0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.22 1xl5 s ASN 98 Cb -0.15 -0.27 0.00 0.00 0.41 0.00 0.00 41.25 41.24 1xl5 s ASN 98 CO 0.10 0.03 0.00 2.22 -1.51 0.00 0.00 177.10 177.94