#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b60 s GLN 2 N 0.00 3.36 -0.08 0.54 0.74 -1.26 -5.09 119.66 117.87 2b60 s GLN 2 Ca 0.00 -0.21 0.00 0.00 0.05 0.00 0.00 55.36 55.20 2b60 s GLN 2 Cb 0.00 -3.11 0.02 0.00 1.10 0.00 0.00 33.01 31.02 2b60 s GLN 2 CO 0.00 0.75 -0.07 0.42 -0.55 0.00 0.00 175.29 175.84 2b60 s ILE 3 N -1.07 0.85 0.85 -2.34 1.01 -1.26 -5.14 121.20 114.10 2b60 s ILE 3 Ca 0.17 -0.22 -0.11 0.00 0.00 0.00 0.00 60.65 60.48 2b60 s ILE 3 Cb -0.12 -0.87 0.14 0.00 0.01 0.00 0.00 42.46 41.62 2b60 s ILE 3 CO 0.07 0.32 1.20 0.42 0.00 0.00 0.00 174.94 176.95 2b60 s THR 4 N 1.42 2.06 -0.23 2.92 -4.23 -1.26 -5.02 115.64 111.29 2b60 s THR 4 Ca -0.02 -0.13 0.12 0.00 -1.18 0.00 0.00 61.69 60.49 2b60 s THR 4 Cb -0.13 -2.93 0.47 0.00 1.34 0.00 0.00 72.50 71.24 2b60 s THR 4 CO -0.04 0.00 1.38 0.18 -0.54 0.00 0.00 174.62 175.60 2b60 n LEU 5 N -3.40 3.63 0.24 4.79 4.77 -1.26 -4.55 117.00 121.21 2b60 n LEU 5 Ca 0.13 -3.54 0.12 0.00 -0.03 0.00 0.00 56.01 52.69 2b60 n LEU 5 Cb 0.60 -0.57 0.52 0.00 -2.33 0.00 0.00 43.42 41.64 2b60 n LEU 5 CO 0.49 1.08 0.87 -0.50 -1.33 0.00 0.00 177.39 177.99 2b60 h TRP 6 N 1.04 0.00 -3.06 -1.77 4.06 -2.07 -3.44 115.95 110.72 2b60 h TRP 6 Ca 0.11 0.00 -0.43 0.00 2.06 0.00 0.00 58.89 60.63 2b60 h TRP 6 Cb 1.43 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.45 2b60 h TRP 6 CO 0.74 0.14 -0.64 -0.65 -3.56 0.00 0.00 178.44 174.47 2b60 s GLN 7 N -3.64 1.50 0.20 0.49 -1.52 -1.26 -5.11 119.66 110.32 2b60 s GLN 7 Ca 0.01 -1.80 -0.32 0.00 -1.95 0.00 0.00 55.36 51.30 2b60 s GLN 7 Cb 0.10 -0.77 -0.11 0.00 -0.22 0.00 0.00 33.01 32.00 2b60 s GLN 7 CO 0.61 -0.13 1.70 1.03 -0.25 0.00 0.00 175.29 178.25 2b60 s ARG 8 N -3.87 4.14 -0.95 2.91 0.52 -1.26 -4.86 118.95 115.58 2b60 s ARG 8 Ca 0.33 2.56 -0.21 0.00 -0.52 0.00 0.00 55.73 57.89 2b60 s ARG 8 Cb 0.07 -3.12 -0.11 0.00 0.52 0.00 0.00 34.95 32.31 2b60 s ARG 8 CO 0.12 -0.73 1.96 -0.35 0.02 0.00 0.00 175.30 176.32 2b60 n PRO 9 N 4.08 1.76 -2.76 3.54 -0.04 -1.26 -4.95 135.00 135.38 2b60 n PRO 9 Ca 0.16 -2.11 -0.39 0.00 -0.04 0.00 0.00 63.50 61.12 2b60 n PRO 9 Cb 0.36 -3.12 -0.06 0.00 -0.04 0.00 0.00 33.50 30.63 2b60 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2b60 s LEU 10 N 3.06 4.58 0.06 1.53 1.43 -1.26 -1.04 118.68 127.04 2b60 s LEU 10 Ca 0.58 1.92 0.04 0.00 -1.03 0.00 0.00 54.13 55.63 2b60 s LEU 10 Cb 0.11 -3.69 -0.03 0.00 0.03 0.00 0.00 46.19 42.62 2b60 s LEU 10 CO 0.09 0.11 -0.11 0.54 0.23 0.00 0.00 176.35 177.21 2b60 s VAL 11 N -1.28 0.87 -0.17 -1.59 0.11 0.60 -4.94 120.40 114.00 2b60 s VAL 11 Ca 0.43 -1.21 -0.13 0.00 -2.93 0.00 0.00 61.98 58.14 2b60 s VAL 11 Cb -0.24 -0.87 -0.05 0.00 -1.53 0.00 0.00 36.38 33.69 2b60 s VAL 11 CO 0.30 -0.29 0.27 -0.89 -3.33 0.00 0.00 175.10 171.16 2b60 s THR 12 N -1.32 5.32 0.13 5.04 2.01 -1.26 -0.61 115.64 124.95 2b60 s THR 12 Ca -0.05 0.49 0.04 0.00 0.31 0.00 0.00 61.69 62.48 2b60 s THR 12 Cb -0.10 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 2b60 s THR 12 CO 0.01 0.39 -0.09 0.27 -0.69 0.00 0.00 174.62 174.51 2b60 s ILE 13 N 0.49 1.06 -0.09 1.82 -5.25 -0.48 -2.19 121.20 116.56 2b60 s ILE 13 Ca 0.15 -2.03 0.03 0.00 -0.99 0.00 0.00 60.65 57.81 2b60 s ILE 13 Cb -0.13 -1.81 0.01 0.00 2.95 0.00 0.00 42.46 43.49 2b60 s ILE 13 CO 0.03 -0.78 -0.17 -0.75 -1.79 0.00 0.00 174.94 171.49 2b60 s LYS 14 N -3.76 2.26 -0.14 0.37 2.20 -0.01 -2.11 119.74 118.55 2b60 s LYS 14 Ca 0.15 -0.60 -0.05 0.00 -0.36 0.00 0.00 55.97 55.12 2b60 s LYS 14 Cb 0.03 -1.82 0.07 0.00 -1.51 0.00 0.00 37.83 34.59 2b60 s LYS 14 CO -0.01 0.04 0.27 -1.50 -0.36 0.00 0.00 175.35 173.80 2b60 s ILE 15 N 0.67 -0.43 -1.08 5.43 2.07 -0.35 -0.71 121.20 126.79 2b60 s ILE 15 Ca -0.13 0.27 -0.07 0.00 -1.41 0.00 0.00 60.65 59.31 2b60 s ILE 15 Cb -0.16 -0.46 0.01 0.00 0.13 0.00 0.00 42.46 41.98 2b60 s ILE 15 CO 0.04 0.11 0.95 0.61 -1.91 0.00 0.00 174.94 174.73 2b60 n GLY 16 N 5.35 -0.24 3.40 1.50 0.00 -1.26 -1.91 105.19 112.03 2b60 n GLY 16 Ca -0.06 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2b60 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b60 n GLY 17 N -1.70 0.51 3.75 -0.02 0.00 -1.26 -4.98 105.19 101.50 2b60 n GLY 17 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2b60 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2b60 s GLN 18 N -0.50 2.94 -0.07 1.61 -0.21 -0.80 -5.12 119.66 117.51 2b60 s GLN 18 Ca 0.00 -0.57 -0.04 0.00 0.02 0.00 0.00 55.36 54.77 2b60 s GLN 18 Cb 0.00 -2.77 -0.04 0.00 1.00 0.00 0.00 33.01 31.20 2b60 s GLN 18 CO 0.00 0.62 0.12 -0.51 -2.12 0.00 0.00 175.29 173.41 2b60 s LEU 19 N -1.84 4.20 0.24 2.90 1.43 -1.26 -1.21 118.68 123.13 2b60 s LEU 19 Ca 0.23 0.34 -0.18 0.00 -1.03 0.00 0.00 54.13 53.49 2b60 s LEU 19 Cb -0.12 -2.22 0.02 0.00 0.03 0.00 0.00 46.19 43.90 2b60 s LEU 19 CO 0.15 0.34 0.60 -0.13 0.23 0.00 0.00 176.35 177.54 2b60 s ARG 20 N -1.38 1.59 -0.01 1.70 0.52 -0.90 -5.02 118.95 115.45 2b60 s ARG 20 Ca 0.19 -0.98 0.04 0.00 -0.52 0.00 0.00 55.73 54.46 2b60 s ARG 20 Cb -0.12 0.55 -0.03 0.00 0.52 0.00 0.00 34.95 35.87 2b60 s ARG 20 CO 0.09 -0.70 -0.13 -1.21 0.02 0.00 0.00 175.30 173.38 2b60 s GLU 21 N -3.92 2.40 0.11 3.54 2.02 -1.26 -1.38 118.70 120.22 2b60 s GLU 21 Ca 0.13 -0.78 0.03 0.00 0.02 0.00 0.00 54.97 54.37 2b60 s GLU 21 Cb -0.03 -2.37 -0.04 0.00 0.10 0.00 0.00 34.13 31.79 2b60 s GLU 21 CO 0.03 0.60 -0.09 0.00 0.02 0.00 0.00 175.26 175.82 2b60 s ALA 22 N -0.87 1.12 -0.22 5.21 0.00 0.22 -4.61 121.76 122.61 2b60 s ALA 22 Ca 0.14 -1.32 -0.12 0.00 0.00 0.00 0.00 51.96 50.66 2b60 s ALA 22 Cb -0.11 0.09 -0.05 0.00 0.00 0.00 0.00 23.12 23.05 2b60 s ALA 22 CO 0.04 -0.13 0.23 -1.17 0.00 0.00 0.00 175.76 174.72 2b60 s LEU 23 N -2.85 4.14 -0.34 0.00 2.96 -0.13 -0.29 118.68 122.16 2b60 s LEU 23 Ca 0.10 0.24 -0.29 0.00 -0.22 0.00 0.00 54.13 53.97 2b60 s LEU 23 Cb 0.02 -2.22 -0.01 0.00 0.50 0.00 0.00 46.19 44.48 2b60 s LEU 23 CO -0.02 0.04 1.60 -0.76 -1.32 0.00 0.00 176.35 175.89 2b60 s LEU 24 N 1.04 3.61 -0.37 -0.68 1.43 -0.20 -1.29 118.68 122.21 2b60 s LEU 24 Ca 0.11 1.17 0.04 0.00 -1.03 0.00 0.00 54.13 54.41 2b60 s LEU 24 Cb -0.14 -3.53 0.11 0.00 0.03 0.00 0.00 46.19 42.66 2b60 s LEU 24 CO 0.05 -1.50 0.09 -0.62 0.23 0.00 0.00 176.35 174.60 2b60 s ASP 25 N 4.81 4.70 0.41 2.29 -1.08 -0.54 -4.77 116.67 122.49 2b60 s ASP 25 Ca 0.70 -2.31 0.29 0.00 -0.52 0.00 0.00 52.55 50.71 2b60 s ASP 25 Cb -0.19 -1.64 1.28 0.00 -1.46 0.00 0.00 42.92 40.91 2b60 s ASP 25 CO 0.32 -0.36 1.87 0.71 0.52 0.00 0.00 175.17 178.24 2b60 h THR 26 N 6.40 0.00 -0.36 1.71 1.35 -1.92 -2.31 112.91 117.77 2b60 h THR 26 Ca -0.05 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 2b60 h THR 26 Cb 1.00 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 2b60 h THR 26 CO 0.55 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 2b60 n GLY 27 N -0.21 1.40 3.07 5.82 0.00 -1.26 -4.81 105.19 109.20 2b60 n GLY 27 Ca 0.01 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 2b60 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b60 s ALA 28 N -1.65 1.91 0.13 4.61 0.00 -0.87 -5.01 121.76 120.89 2b60 s ALA 28 Ca 0.28 -0.90 -0.13 0.00 0.00 0.00 0.00 51.96 51.20 2b60 s ALA 28 Cb 0.17 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 2b60 s ALA 28 CO 0.14 -0.20 1.53 -0.44 0.00 0.00 0.00 175.76 176.79 2b60 h ASP 29 N 7.68 0.85 -1.36 0.00 3.32 -1.87 0.18 116.42 125.22 2b60 h ASP 29 Ca -0.35 -0.38 -0.53 0.00 0.02 0.00 0.00 57.03 55.78 2b60 h ASP 29 Cb 1.16 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 40.42 2b60 h ASP 29 CO 0.53 1.04 -0.40 -1.81 -1.72 0.00 0.00 179.24 176.88 2b60 s ASP 30 N -6.50 4.75 -0.18 6.45 1.01 -1.26 -2.10 116.67 118.84 2b60 s ASP 30 Ca -0.12 -0.96 -0.05 0.00 0.71 0.00 0.00 52.55 52.13 2b60 s ASP 30 Cb 0.11 -0.35 -0.03 0.00 1.01 0.00 0.00 42.92 43.66 2b60 s ASP 30 CO 0.83 -0.70 -0.01 -0.89 0.21 0.00 0.00 175.17 174.62 2b60 s THR 31 N -2.57 4.08 0.01 -1.27 2.01 -1.26 -2.91 115.64 113.72 2b60 s THR 31 Ca 0.43 -0.28 0.02 0.00 0.31 0.00 0.00 61.69 62.17 2b60 s THR 31 Cb -0.01 -2.82 -0.01 0.00 0.01 0.00 0.00 72.50 69.67 2b60 s THR 31 CO 0.25 0.46 -0.07 -0.51 -0.69 0.00 0.00 174.62 174.06 2b60 s ILE 32 N 0.60 0.50 0.05 1.82 2.07 -0.02 -1.24 121.20 124.97 2b60 s ILE 32 Ca -0.01 -0.57 0.06 0.00 -1.41 0.00 0.00 60.65 58.72 2b60 s ILE 32 Cb -0.14 -0.48 -0.02 0.00 0.13 0.00 0.00 42.46 41.94 2b60 s ILE 32 CO 0.02 -0.06 -0.16 -0.36 -1.91 0.00 0.00 174.94 172.47 2b60 s PHE 33 N -0.61 1.39 -0.10 3.50 0.40 -0.17 -0.79 117.98 121.60 2b60 s PHE 33 Ca -0.02 -0.38 -0.20 0.00 -0.60 0.00 0.00 56.93 55.74 2b60 s PHE 33 Cb -0.05 -0.81 -0.04 0.00 0.51 0.00 0.00 43.02 42.62 2b60 s PHE 33 CO 0.00 0.06 0.54 -2.00 0.70 0.00 0.00 175.22 174.52 2b60 s GLU 34 N -1.29 4.36 0.00 0.44 2.12 -1.26 -1.70 118.70 121.37 2b60 s GLU 34 Ca 0.03 0.57 0.00 0.00 0.36 0.00 0.00 54.97 55.93 2b60 s GLU 34 Cb -0.08 -3.43 0.00 0.00 0.26 0.00 0.00 34.13 30.87 2b60 s GLU 34 CO 0.02 0.15 0.00 -1.91 -0.54 0.00 0.00 175.26 172.98 2b60 n GLU 35 N 3.64 -0.28 -3.89 4.30 4.07 -1.26 -4.97 120.64 122.25 2b60 n GLU 35 Ca -0.06 0.27 -0.09 0.00 -0.06 0.00 0.00 57.16 57.22 2b60 n GLU 35 Cb 0.52 -0.23 -0.08 0.00 -0.06 0.00 0.00 31.44 31.59 2b60 n GLU 35 CO 0.00 0.00 0.00 0.96 -0.06 0.00 0.00 177.13 178.03 2b60 s ILE 36 N 0.00 0.14 -0.37 6.31 -4.36 -1.26 -5.13 121.20 116.53 2b60 s ILE 36 Ca 0.00 -1.17 -0.13 0.00 -0.26 0.00 0.00 60.65 59.09 2b60 s ILE 36 Cb 0.00 -1.20 0.00 0.00 1.25 0.00 0.00 42.46 42.52 2b60 s ILE 36 CO 0.00 -0.65 0.25 -0.44 0.24 0.00 0.00 174.94 174.35 2b60 s SER 37 N -2.58 6.00 0.06 4.36 0.01 -1.26 -5.06 113.70 115.23 2b60 s SER 37 Ca 0.01 -0.70 0.06 0.00 1.31 0.00 0.00 55.95 56.63 2b60 s SER 37 Cb 0.03 -2.12 -0.04 0.00 0.21 0.00 0.00 66.02 64.10 2b60 s SER 37 CO -0.08 -0.34 -0.10 -0.76 0.41 0.00 0.00 173.24 172.37 2b60 s LEU 38 N 1.67 3.01 0.47 2.44 1.43 -1.26 -4.89 118.68 121.56 2b60 s LEU 38 Ca 0.05 -0.31 -0.03 0.00 -1.03 0.00 0.00 54.13 52.82 2b60 s LEU 38 Cb -0.18 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.24 2b60 s LEU 38 CO 0.09 0.23 0.74 -2.16 0.23 0.00 0.00 176.35 175.48 2b60 s PRO 39 N -1.79 3.29 1.18 1.29 0.04 -1.26 -4.99 135.00 132.75 2b60 s PRO 39 Ca 0.19 -0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.12 2b60 s PRO 39 Cb -0.11 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 31.98 2b60 s PRO 39 CO 0.10 -0.26 0.00 0.41 0.04 0.00 0.00 177.00 177.29 2b60 n GLY 40 N -2.19 -1.92 3.80 0.56 0.00 -1.26 -4.94 105.19 99.23 2b60 n GLY 40 Ca 0.01 -1.45 -0.35 0.00 0.00 0.00 0.00 46.02 44.23 2b60 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2b60 s ARG 41 N 0.00 4.24 0.27 1.61 0.52 -1.26 -5.08 118.95 119.25 2b60 s ARG 41 Ca 0.00 1.30 0.03 0.00 -0.52 0.00 0.00 55.73 56.54 2b60 s ARG 41 Cb 0.00 -2.41 -0.04 0.00 0.52 0.00 0.00 34.95 33.02 2b60 s ARG 41 CO 0.00 -0.04 0.17 1.67 0.02 0.00 0.00 175.30 177.12 2b60 s TRP 42 N -1.88 1.47 -0.01 -0.53 1.48 -1.26 -4.74 118.94 113.47 2b60 s TRP 42 Ca 0.59 -1.44 0.05 0.00 -1.06 0.00 0.00 56.10 54.24 2b60 s TRP 42 Cb -0.16 -0.71 -0.01 0.00 -1.16 0.00 0.00 33.47 31.43 2b60 s TRP 42 CO 0.20 -0.65 -0.17 -1.59 -4.06 0.00 0.00 176.95 170.69 2b60 s LYS 43 N -3.87 1.35 0.40 3.25 -2.85 -0.79 -4.88 119.74 112.35 2b60 s LYS 43 Ca 0.38 -0.64 -0.24 0.00 -1.00 0.00 0.00 55.97 54.48 2b60 s LYS 43 Cb 0.05 -1.32 -0.12 0.00 -2.06 0.00 0.00 37.83 34.38 2b60 s LYS 43 CO 0.18 0.36 0.79 -2.30 0.10 0.00 0.00 175.35 174.48 2b60 n PRO 44 N 2.57 0.94 -3.56 1.78 -0.02 -1.26 -1.03 135.00 134.42 2b60 n PRO 44 Ca -0.15 0.34 -0.14 0.00 -2.02 0.00 0.00 63.50 61.53 2b60 n PRO 44 Cb 0.54 -1.74 -0.06 0.00 -0.02 0.00 0.00 33.50 32.22 2b60 n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2b60 s LYS 45 N -1.74 0.83 -0.13 -0.52 2.20 -0.27 -4.81 119.74 115.31 2b60 s LYS 45 Ca 0.63 0.29 -0.01 0.00 -0.36 0.00 0.00 55.97 56.52 2b60 s LYS 45 Cb -0.61 0.39 -0.02 0.00 -1.51 0.00 0.00 37.83 36.08 2b60 s LYS 45 CO 0.57 -0.24 -0.09 -1.64 -0.36 0.00 0.00 175.35 173.59 2b60 s MET 46 N -0.96 3.38 -0.06 4.03 -1.94 -1.26 0.14 119.30 122.64 2b60 s MET 46 Ca -0.06 -0.62 -0.01 0.00 -1.71 0.00 0.00 55.69 53.30 2b60 s MET 46 Cb -0.01 -2.71 -0.03 0.00 2.01 0.00 0.00 34.83 34.09 2b60 s MET 46 CO 0.05 0.29 0.00 0.42 -0.01 0.00 0.00 175.02 175.77 2b60 s ILE 47 N 0.19 4.25 -0.17 2.53 -1.09 0.66 -4.90 121.20 122.68 2b60 s ILE 47 Ca -0.05 -0.36 -0.10 0.00 -2.23 0.00 0.00 60.65 57.91 2b60 s ILE 47 Cb -0.15 -2.82 -0.05 0.00 -1.58 0.00 0.00 42.46 37.87 2b60 s ILE 47 CO 0.04 0.54 0.16 -0.83 -1.23 0.00 0.00 174.94 173.62 2b60 s GLY 48 N -1.08 2.10 0.41 6.18 0.00 -1.26 -0.86 107.32 112.81 2b60 s GLY 48 Ca 0.15 -0.64 0.05 0.00 0.00 0.00 0.00 44.72 44.28 2b60 s GLY 48 CO 0.05 0.08 0.18 -0.32 0.00 0.00 0.00 173.10 173.08 2b60 s GLY 49 N 0.07 2.66 0.26 0.20 0.00 0.15 -4.98 107.32 105.67 2b60 s GLY 49 Ca 0.11 -1.33 -0.03 0.00 0.00 0.00 0.00 44.72 43.47 2b60 s GLY 49 CO 0.00 -1.76 1.81 1.19 0.00 0.00 0.00 173.10 174.35 2b60 h ILE 50 N 1.80 0.89 -0.39 0.90 -0.00 -2.03 -2.80 117.51 115.88 2b60 h ILE 50 Ca -0.32 -0.28 0.00 0.00 -0.00 0.00 0.00 64.86 64.26 2b60 h ILE 50 Cb 1.27 -0.00 0.00 0.00 -0.00 0.00 0.00 36.82 38.09 2b60 h ILE 50 CO 0.50 0.15 0.00 0.61 -0.00 0.00 0.00 178.15 179.41 2b60 n GLY 51 N -1.33 1.20 0.00 8.18 0.00 -1.26 -5.05 105.19 106.93 2b60 n GLY 51 Ca 0.15 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2b60 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b60 n GLY 52 N 1.32 0.84 3.64 -0.02 0.00 -1.06 -5.11 105.19 104.80 2b60 n GLY 52 Ca 0.18 -2.00 -0.31 0.00 0.00 0.00 0.00 46.02 43.88 2b60 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2b60 s PHE 53 N -2.00 2.93 0.06 1.61 0.40 -1.26 0.30 117.98 120.02 2b60 s PHE 53 Ca 0.00 -0.03 0.06 0.00 -0.60 0.00 0.00 56.93 56.36 2b60 s PHE 53 Cb 0.00 -1.57 -0.03 0.00 0.51 0.00 0.00 43.02 41.93 2b60 s PHE 53 CO 0.00 0.43 -0.17 0.96 0.70 0.00 0.00 175.22 177.14 2b60 s ILE 54 N -1.15 1.38 -0.14 0.64 -4.36 -0.04 -4.93 121.20 112.62 2b60 s ILE 54 Ca 0.21 -1.23 -0.20 0.00 -0.26 0.00 0.00 60.65 59.17 2b60 s ILE 54 Cb -0.11 -1.25 -0.04 0.00 1.25 0.00 0.00 42.46 42.31 2b60 s ILE 54 CO 0.12 -0.00 0.57 -0.54 0.24 0.00 0.00 174.94 175.32 2b60 s LYS 55 N -1.44 4.31 0.37 0.37 3.01 -1.26 -0.24 119.74 124.86 2b60 s LYS 55 Ca 0.03 0.58 0.05 0.00 -1.01 0.00 0.00 55.97 55.62 2b60 s LYS 55 Cb -0.09 -3.49 -0.06 0.00 -1.01 0.00 0.00 37.83 33.18 2b60 s LYS 55 CO 0.02 0.01 0.04 0.14 0.51 0.00 0.00 175.35 176.07 2b60 s VAL 56 N 1.08 1.41 0.00 3.17 -7.23 0.38 -4.43 120.40 114.77 2b60 s VAL 56 Ca 0.29 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.44 2b60 s VAL 56 Cb -0.16 -2.79 -0.04 0.00 0.56 0.00 0.00 36.38 33.95 2b60 s VAL 56 CO 0.12 0.00 0.19 -0.13 -0.31 0.00 0.00 175.10 174.97 2b60 s ARG 57 N -3.82 3.44 -0.23 4.82 0.52 -0.15 -1.11 118.95 122.43 2b60 s ARG 57 Ca 0.33 -0.34 -0.00 0.00 -0.52 0.00 0.00 55.73 55.20 2b60 s ARG 57 Cb 0.08 -3.09 0.03 0.00 0.52 0.00 0.00 34.95 32.49 2b60 s ARG 57 CO 0.16 0.67 -0.11 -1.14 0.02 0.00 0.00 175.30 174.89 2b60 s GLN 58 N -2.03 2.84 -0.13 3.54 0.74 -0.20 -1.91 119.66 122.52 2b60 s GLN 58 Ca 0.28 -0.96 -0.02 0.00 0.05 0.00 0.00 55.36 54.71 2b60 s GLN 58 Cb -0.13 -2.85 -0.03 0.00 1.10 0.00 0.00 33.01 31.11 2b60 s GLN 58 CO 0.20 -0.35 -0.05 0.71 -0.55 0.00 0.00 175.29 175.25 2b60 s TYR 59 N 1.29 2.99 0.29 1.67 2.02 -0.33 -1.88 117.35 123.40 2b60 s TYR 59 Ca 0.01 -0.21 0.07 0.00 -0.37 0.00 0.00 57.07 56.57 2b60 s TYR 59 Cb -0.16 -1.87 -0.03 0.00 -0.40 0.00 0.00 41.96 39.50 2b60 s TYR 59 CO -0.07 0.08 0.23 -0.51 -1.57 0.00 0.00 175.55 173.71 2b60 s ASP 60 N -0.02 5.40 -1.41 2.29 1.01 -1.26 -0.25 116.67 122.42 2b60 s ASP 60 Ca 0.00 -0.36 -0.03 0.00 0.71 0.00 0.00 52.55 52.87 2b60 s ASP 60 Cb -0.13 -1.21 0.02 0.00 1.01 0.00 0.00 42.92 42.61 2b60 s ASP 60 CO 0.03 -0.17 0.61 0.00 0.21 0.00 0.00 175.17 175.85 2b60 n GLN 61 N -1.25 -4.09 -3.48 8.23 6.02 -1.13 -4.89 117.38 116.77 2b60 n GLN 61 Ca -0.05 0.50 -0.39 0.00 -0.01 0.00 0.00 57.00 57.05 2b60 n GLN 61 Cb 0.59 -4.91 -0.10 0.00 1.02 0.00 0.00 30.24 26.84 2b60 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2b60 s ILE 62 N -3.73 5.24 0.27 5.09 -1.09 0.16 -4.79 121.20 122.35 2b60 s ILE 62 Ca 0.14 0.35 -0.30 0.00 -2.23 0.00 0.00 60.65 58.61 2b60 s ILE 62 Cb -0.07 -3.63 -0.10 0.00 -1.58 0.00 0.00 42.46 37.07 2b60 s ILE 62 CO 0.86 0.19 1.46 -2.84 -1.23 0.00 0.00 174.94 173.37 2b60 s PRO 63 N 1.92 4.24 -0.14 2.79 0.02 -1.26 -2.23 135.00 140.34 2b60 s PRO 63 Ca 0.11 2.36 -0.09 0.00 0.02 0.00 0.00 61.00 63.40 2b60 s PRO 63 Cb -0.16 -3.08 0.05 0.00 0.02 0.00 0.00 34.50 31.32 2b60 s PRO 63 CO 0.11 -0.45 0.33 -1.50 -0.33 0.00 0.00 177.00 175.16 2b60 s ILE 64 N -0.15 -0.02 -0.32 2.83 2.07 0.90 -4.33 121.20 122.18 2b60 s ILE 64 Ca 0.59 0.08 -0.11 0.00 -1.41 0.00 0.00 60.65 59.81 2b60 s ILE 64 Cb -0.43 -0.49 -0.01 0.00 0.13 0.00 0.00 42.46 41.66 2b60 s ILE 64 CO 0.46 0.03 0.18 -1.61 -1.91 0.00 0.00 174.94 172.09 2b60 s GLU 65 N 1.00 3.32 -0.29 3.50 2.02 0.11 -1.02 118.70 127.34 2b60 s GLU 65 Ca -0.07 -0.74 0.01 0.00 0.02 0.00 0.00 54.97 54.19 2b60 s GLU 65 Cb -0.07 -3.64 0.06 0.00 0.10 0.00 0.00 34.13 30.58 2b60 s GLU 65 CO -0.08 -0.45 -0.04 0.42 0.02 0.00 0.00 175.26 175.13 2b60 s ILE 66 N 1.63 2.56 -1.41 -1.63 1.01 -0.00 -0.83 121.20 122.54 2b60 s ILE 66 Ca 0.05 -1.61 -0.06 0.00 0.00 0.00 0.00 60.65 59.02 2b60 s ILE 66 Cb -0.17 -2.54 0.04 0.00 0.01 0.00 0.00 42.46 39.80 2b60 s ILE 66 CO 0.07 -0.14 0.85 0.00 0.00 0.00 0.00 174.94 175.72 2b60 n GLY 68 N -1.64 1.86 3.69 0.00 0.00 -1.26 -5.00 105.19 102.83 2b60 n GLY 68 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 2b60 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2b60 s HIS 69 N -3.23 3.39 -0.24 1.61 4.02 -0.56 -5.05 115.29 115.22 2b60 s HIS 69 Ca 0.00 0.53 -0.20 0.00 1.02 0.00 0.00 55.06 56.42 2b60 s HIS 69 Cb 0.00 -2.42 -0.02 0.00 -1.02 0.00 0.00 32.58 29.12 2b60 s HIS 69 CO 0.00 0.08 0.60 0.15 1.02 0.00 0.00 174.74 176.60 2b60 s LYS 70 N 1.00 4.14 0.28 1.40 1.02 -1.26 -0.82 119.74 125.49 2b60 s LYS 70 Ca 0.16 0.52 -0.03 0.00 0.02 0.00 0.00 55.97 56.64 2b60 s LYS 70 Cb -0.14 -3.62 -0.02 0.00 -0.52 0.00 0.00 37.83 33.53 2b60 s LYS 70 CO 0.06 -0.34 0.35 0.54 -0.92 0.00 0.00 175.35 175.04 2b60 s VAL 71 N 2.26 0.00 -0.01 3.17 0.11 -0.19 -5.00 120.40 120.74 2b60 s VAL 71 Ca 0.26 -1.72 0.00 0.00 -2.93 0.00 0.00 61.98 57.59 2b60 s VAL 71 Cb -0.16 -2.47 0.01 0.00 -1.53 0.00 0.00 36.38 32.23 2b60 s VAL 71 CO 0.09 0.00 -0.00 -0.51 -3.33 0.00 0.00 175.10 171.35 2b60 s ILE 72 N -3.65 0.09 0.00 7.04 2.07 -1.26 -0.07 121.20 125.42 2b60 s ILE 72 Ca 0.32 0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.58 2b60 s ILE 72 Cb 0.02 -0.12 0.00 0.00 0.13 0.00 0.00 42.46 42.49 2b60 s ILE 72 CO 0.16 0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.86 2b60 n GLY 73 N 3.42 1.52 3.71 1.50 0.00 -0.95 -4.84 105.19 109.55 2b60 n GLY 73 Ca -0.17 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 2b60 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2b60 s THR 74 N -2.64 4.97 -0.07 2.61 2.01 -1.26 -0.67 115.64 120.59 2b60 s THR 74 Ca 0.00 1.66 0.03 0.00 0.31 0.00 0.00 61.69 63.69 2b60 s THR 74 Cb 0.00 -4.14 0.01 0.00 0.01 0.00 0.00 72.50 68.38 2b60 s THR 74 CO 0.00 0.19 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.26 2b60 s VAL 75 N 1.08 1.47 0.06 3.82 1.01 0.65 -4.50 120.40 123.99 2b60 s VAL 75 Ca 0.42 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 2b60 s VAL 75 Cb -0.18 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 2b60 s VAL 75 CO 0.20 0.43 0.24 -0.76 0.00 0.00 0.00 175.10 175.21 2b60 s LEU 76 N 0.45 4.35 -0.11 3.92 1.43 -0.37 -1.19 118.68 127.16 2b60 s LEU 76 Ca -0.14 0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 2b60 s LEU 76 Cb -0.16 -2.96 0.02 0.00 0.03 0.00 0.00 46.19 43.12 2b60 s LEU 76 CO 0.05 0.17 -0.10 -0.69 0.23 0.00 0.00 176.35 176.01 2b60 s VAL 77 N -1.50 1.16 0.12 -1.59 1.01 -0.80 -1.00 120.40 117.79 2b60 s VAL 77 Ca 0.35 -0.40 -0.24 0.00 0.00 0.00 0.00 61.98 61.69 2b60 s VAL 77 Cb -0.13 -1.13 0.08 0.00 0.00 0.00 0.00 36.38 35.21 2b60 s VAL 77 CO 0.26 0.38 1.11 -0.83 0.00 0.00 0.00 175.10 176.02 2b60 s GLY 78 N 1.42 0.00 -1.27 4.51 0.00 -0.69 -0.97 107.32 110.32 2b60 s GLY 78 Ca 0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 44.72 44.48 2b60 s GLY 78 CO -0.06 2.99 2.54 -1.55 0.00 0.00 0.00 173.10 177.02 2b60 n PRO 79 N -0.73 2.89 -2.85 2.90 -0.04 -1.26 -4.13 135.00 131.78 2b60 n PRO 79 Ca -0.02 -1.83 -0.34 0.00 -0.04 0.00 0.00 63.50 61.27 2b60 n PRO 79 Cb 0.59 -2.63 -0.07 0.00 -0.04 0.00 0.00 33.50 31.36 2b60 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2b60 s THR 80 N 2.80 4.39 -0.98 0.52 -1.32 -1.26 -4.98 115.64 114.81 2b60 s THR 80 Ca 0.55 1.49 0.28 0.00 -1.21 0.00 0.00 61.69 62.80 2b60 s THR 80 Cb 0.14 -3.68 0.22 0.00 -1.51 0.00 0.00 72.50 67.67 2b60 s THR 80 CO -0.05 -0.21 1.87 -0.81 -2.21 0.00 0.00 174.62 173.22 2b60 n PRO 81 N -0.35 0.02 -3.80 7.08 -0.04 -1.26 -4.65 135.00 131.99 2b60 n PRO 81 Ca 0.05 0.01 -0.13 0.00 -0.04 0.00 0.00 63.50 63.39 2b60 n PRO 81 Cb 0.53 -1.52 -0.14 0.00 -0.04 0.00 0.00 33.50 32.33 2b60 n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2b60 s ALA 82 N -3.01 -0.11 0.13 0.55 0.00 -1.26 -5.08 121.76 112.98 2b60 s ALA 82 Ca 0.13 0.33 -0.31 0.00 0.00 0.00 0.00 51.96 52.12 2b60 s ALA 82 Cb 0.18 -0.22 -0.08 0.00 0.00 0.00 0.00 23.12 23.00 2b60 s ALA 82 CO 0.55 -0.08 1.31 -0.80 0.00 0.00 0.00 175.76 176.74 2b60 s ASN 83 N 0.59 6.92 -0.08 0.00 0.01 -1.26 -4.76 114.94 116.35 2b60 s ASN 83 Ca -0.05 2.27 0.01 0.00 -0.71 0.00 0.00 52.86 54.38 2b60 s ASN 83 Cb -0.06 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.02 2b60 s ASN 83 CO -0.02 -0.56 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.28 2b60 s ILE 84 N 0.74 1.04 -0.36 0.60 1.01 0.03 -0.96 121.20 123.31 2b60 s ILE 84 Ca 0.60 -0.37 -0.19 0.00 0.00 0.00 0.00 60.65 60.70 2b60 s ILE 84 Cb -0.35 -1.01 -0.00 0.00 0.01 0.00 0.00 42.46 41.11 2b60 s ILE 84 CO 0.33 0.35 0.55 -0.63 0.00 0.00 0.00 174.94 175.53 2b60 s ILE 85 N 1.14 4.98 0.48 2.92 -1.09 -0.41 -0.84 121.20 128.37 2b60 s ILE 85 Ca -0.06 0.38 -0.03 0.00 -2.23 0.00 0.00 60.65 58.71 2b60 s ILE 85 Cb -0.14 -4.00 0.10 0.00 -1.58 0.00 0.00 42.46 36.83 2b60 s ILE 85 CO -0.02 -0.26 0.65 0.61 -1.23 0.00 0.00 174.94 174.70 2b60 n GLY 86 N 4.78 0.14 0.24 6.18 0.00 -1.15 -1.47 105.19 113.91 2b60 n GLY 86 Ca -0.04 -1.92 0.08 0.00 0.00 0.00 0.00 46.02 44.15 2b60 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2b60 h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -0.57 -0.33 114.38 118.17 2b60 h ARG 87 Ca -0.21 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.83 2b60 h ARG 87 Cb 0.73 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.78 2b60 h ARG 87 CO 0.20 0.16 -0.01 -2.95 -1.07 0.00 0.00 179.97 176.31 2b60 h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.67 -1.89 115.58 117.99 2b60 h ASN 88 Ca -0.00 0.00 -0.16 0.00 0.07 0.00 0.00 56.30 56.20 2b60 h ASN 88 Cb 0.34 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.56 2b60 h ASN 88 CO 0.02 0.01 -1.62 0.18 0.07 0.00 0.00 177.43 176.09 2b60 n LEU 89 N -3.74 1.10 0.26 6.14 4.77 -0.95 -4.52 117.00 120.05 2b60 n LEU 89 Ca -0.03 -0.02 0.10 0.00 -0.03 0.00 0.00 56.01 56.03 2b60 n LEU 89 Cb 0.09 -0.01 0.69 0.00 -2.33 0.00 0.00 43.42 41.86 2b60 n LEU 89 CO 0.27 0.39 1.00 0.24 -1.33 0.00 0.00 177.39 177.96 2b60 h MET 90 N 0.00 0.00 -0.08 3.23 2.86 -0.98 0.11 114.93 120.07 2b60 h MET 90 Ca -0.24 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.33 2b60 h MET 90 Cb 1.49 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.14 2b60 h MET 90 CO -0.01 0.09 -0.26 1.15 1.06 0.00 0.00 176.91 178.95 2b60 h THR 91 N 0.00 1.22 0.00 2.22 2.02 -1.58 -1.97 112.91 114.82 2b60 h THR 91 Ca -0.00 -1.04 -0.00 0.00 0.77 0.00 0.00 66.41 66.14 2b60 h THR 91 Cb 0.19 1.45 -0.00 0.00 -1.74 0.00 0.00 68.15 68.05 2b60 h THR 91 CO 0.01 0.31 -0.01 1.56 0.37 0.00 0.00 175.52 177.76 2b60 h GLN 92 N 0.13 0.00 -0.57 6.66 7.50 -1.01 -2.94 115.11 124.88 2b60 h GLN 92 Ca 0.02 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.17 2b60 h GLN 92 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.06 2b60 h GLN 92 CO 0.04 0.01 0.00 0.44 -1.50 0.00 0.00 178.83 177.82 2b60 n ILE 93 N -3.10 0.82 -1.10 2.54 -5.35 -1.13 -4.94 119.36 107.09 2b60 n ILE 93 Ca 0.03 -0.91 -0.04 0.00 -0.27 0.00 0.00 62.75 61.57 2b60 n ILE 93 Cb 0.47 0.68 -0.02 0.00 -1.74 0.00 0.00 39.64 39.03 2b60 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2b60 n GLY 94 N 1.47 0.65 3.71 3.28 0.00 -1.11 -4.99 105.19 108.20 2b60 n GLY 94 Ca 0.21 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 2b60 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b60 s THR 96 N 1.50 0.93 -0.03 0.00 -4.23 -1.26 -4.72 115.64 107.83 2b60 s THR 96 Ca 0.64 -2.02 -0.05 0.00 -1.18 0.00 0.00 61.69 59.08 2b60 s THR 96 Cb -0.35 -2.29 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 2b60 s THR 96 CO 0.29 -0.36 0.21 -0.76 -0.54 0.00 0.00 174.62 173.46 2b60 s LEU 97 N -3.27 4.38 -0.04 4.79 1.43 -1.26 -5.09 118.68 119.61 2b60 s LEU 97 Ca 0.27 0.46 -0.04 0.00 -1.03 0.00 0.00 54.13 53.79 2b60 s LEU 97 Cb 0.06 -2.52 0.01 0.00 0.03 0.00 0.00 46.19 43.77 2b60 s LEU 97 CO 0.08 0.29 0.12 0.20 0.23 0.00 0.00 176.35 177.27 2b60 s ASN 98 N -1.64 -0.12 0.00 2.29 0.01 -1.26 -5.29 114.94 108.93 2b60 s ASN 98 Ca 0.25 0.24 0.00 0.00 -0.71 0.00 0.00 52.86 52.63 2b60 s ASN 98 Cb -0.13 0.24 0.00 0.00 0.41 0.00 0.00 41.25 41.77 2b60 s ASN 98 CO 0.14 -0.04 0.00 2.22 -1.51 0.00 0.00 177.10 177.91