#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gnm s GLN 2 N 0.00 3.07 -0.22 0.54 0.74 -1.26 -5.09 119.66 117.44 1gnm s GLN 2 Ca 0.00 -0.84 -0.05 0.00 0.05 0.00 0.00 55.36 54.52 1gnm s GLN 2 Cb 0.00 -3.12 -0.02 0.00 1.10 0.00 0.00 33.01 30.98 1gnm s GLN 2 CO 0.00 -0.36 -0.01 0.42 -0.55 0.00 0.00 175.29 174.79 1gnm s ILE 3 N 1.42 3.67 0.11 -2.34 1.01 -1.26 -5.10 121.20 118.71 1gnm s ILE 3 Ca 0.02 -0.40 -0.07 0.00 0.00 0.00 0.00 60.65 60.21 1gnm s ILE 3 Cb -0.16 -2.68 -0.06 0.00 0.01 0.00 0.00 42.46 39.58 1gnm s ILE 3 CO -0.02 0.41 0.39 0.42 0.00 0.00 0.00 174.94 176.14 1gnm s THR 4 N 1.41 5.13 -2.14 2.92 -4.23 -1.26 -5.04 115.64 112.42 1gnm s THR 4 Ca 0.05 0.24 0.16 0.00 -1.18 0.00 0.00 61.69 60.96 1gnm s THR 4 Cb -0.14 -3.63 0.39 0.00 1.34 0.00 0.00 72.50 70.46 1gnm s THR 4 CO -0.01 0.16 1.42 0.18 -0.54 0.00 0.00 174.62 175.83 1gnm n LEU 5 N 0.49 1.71 0.01 4.79 4.77 -1.26 -4.17 117.00 123.34 1gnm n LEU 5 Ca -0.05 -0.79 0.21 0.00 -0.03 0.00 0.00 56.01 55.35 1gnm n LEU 5 Cb 0.52 -0.16 0.71 0.00 -2.33 0.00 0.00 43.42 42.16 1gnm n LEU 5 CO 0.45 0.39 1.19 -0.50 -1.33 0.00 0.00 177.39 177.60 1gnm h TRP 6 N 2.08 0.00 -2.69 -1.77 4.06 -2.06 -3.43 115.95 112.14 1gnm h TRP 6 Ca 0.00 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 60.40 1gnm h TRP 6 Cb 0.46 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 28.47 1gnm h TRP 6 CO 0.16 0.00 -0.76 -0.65 -3.56 0.00 0.00 178.44 173.63 1gnm s GLN 7 N -4.92 1.49 0.15 0.49 -1.52 -1.26 -5.08 119.66 109.01 1gnm s GLN 7 Ca -0.05 -1.63 -0.34 0.00 -1.95 0.00 0.00 55.36 51.39 1gnm s GLN 7 Cb 0.19 -1.52 -0.14 0.00 -0.22 0.00 0.00 33.01 31.32 1gnm s GLN 7 CO 0.69 0.29 1.51 0.54 -0.25 0.00 0.00 175.29 178.07 1gnm n ARG 8 N -0.31 1.94 -2.14 2.91 1.74 -1.26 -4.85 116.66 114.69 1gnm n ARG 8 Ca -0.08 0.70 -0.30 0.00 -0.77 0.00 0.00 57.85 57.40 1gnm n ARG 8 Cb 0.59 -2.43 -0.05 0.00 -1.02 0.00 0.00 32.46 29.55 1gnm n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1gnm s PRO 9 N 0.72 2.72 -0.13 5.56 0.04 -1.26 -4.93 135.00 137.72 1gnm s PRO 9 Ca 0.79 -0.90 -0.04 0.00 0.04 0.00 0.00 61.00 60.89 1gnm s PRO 9 Cb -0.73 -5.21 -0.03 0.00 0.04 0.00 0.00 34.50 28.57 1gnm s PRO 9 CO 0.41 -3.49 0.01 -0.51 0.04 0.00 0.00 177.00 173.46 1gnm s LEU 10 N 9.67 3.59 0.05 -3.56 1.43 -1.26 -0.29 118.68 128.32 1gnm s LEU 10 Ca 0.66 0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.85 1gnm s LEU 10 Cb -0.03 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 1gnm s LEU 10 CO 0.06 0.27 -0.06 0.54 0.23 0.00 0.00 176.35 177.39 1gnm s VAL 11 N -0.25 0.46 -0.16 -1.59 0.11 0.43 -4.91 120.40 114.50 1gnm s VAL 11 Ca 0.06 -1.36 -0.24 0.00 -2.93 0.00 0.00 61.98 57.52 1gnm s VAL 11 Cb -0.12 -0.93 -0.02 0.00 -1.53 0.00 0.00 36.38 33.77 1gnm s VAL 11 CO 0.02 -0.61 0.75 -0.89 -3.33 0.00 0.00 175.10 171.05 1gnm s THR 12 N -2.28 4.95 0.17 5.04 2.01 -1.26 0.12 115.64 124.39 1gnm s THR 12 Ca -0.03 1.48 0.10 0.00 0.31 0.00 0.00 61.69 63.54 1gnm s THR 12 Cb -0.04 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 1gnm s THR 12 CO -0.02 0.09 -0.21 0.27 -0.69 0.00 0.00 174.62 174.05 1gnm s ILE 13 N 1.85 2.07 -0.14 1.82 -4.36 -0.31 -1.63 121.20 120.50 1gnm s ILE 13 Ca 0.35 -1.93 0.02 0.00 -0.26 0.00 0.00 60.65 58.83 1gnm s ILE 13 Cb -0.17 -1.95 0.01 0.00 1.25 0.00 0.00 42.46 41.61 1gnm s ILE 13 CO 0.13 -0.19 -0.19 -0.75 0.24 0.00 0.00 174.94 174.18 1gnm s LYS 14 N -2.64 2.68 -0.13 0.37 2.20 -0.55 -1.16 119.74 120.52 1gnm s LYS 14 Ca 0.17 -0.72 -0.06 0.00 -0.36 0.00 0.00 55.97 55.00 1gnm s LYS 14 Cb -0.07 -2.25 0.06 0.00 -1.51 0.00 0.00 37.83 34.06 1gnm s LYS 14 CO 0.08 -0.09 0.28 -1.50 -0.36 0.00 0.00 175.35 173.76 1gnm s ILE 15 N 1.04 -0.21 -1.43 5.43 2.07 -0.30 -0.72 121.20 127.08 1gnm s ILE 15 Ca -0.03 0.19 -0.08 0.00 -1.41 0.00 0.00 60.65 59.32 1gnm s ILE 15 Cb -0.15 -0.45 0.05 0.00 0.13 0.00 0.00 42.46 42.04 1gnm s ILE 15 CO -0.05 0.08 0.88 0.61 -1.91 0.00 0.00 174.94 174.55 1gnm n GLY 16 N 4.72 -0.41 2.10 1.50 0.00 -1.26 -1.82 105.19 110.02 1gnm n GLY 16 Ca -0.17 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1gnm n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gnm n GLY 17 N -1.66 2.79 3.64 -0.02 0.00 -1.26 -5.01 105.19 103.66 1gnm n GLY 17 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 1gnm n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gnm s GLN 18 N -0.43 2.68 -0.19 1.61 -0.21 -0.75 -5.10 119.66 117.27 1gnm s GLN 18 Ca 0.00 -0.65 -0.12 0.00 0.02 0.00 0.00 55.36 54.61 1gnm s GLN 18 Cb 0.00 -2.59 -0.05 0.00 1.00 0.00 0.00 33.01 31.37 1gnm s GLN 18 CO 0.00 0.62 0.22 -0.51 -2.12 0.00 0.00 175.29 173.50 1gnm s LEU 19 N -1.43 4.22 0.23 2.90 1.02 -1.26 -1.15 118.68 123.21 1gnm s LEU 19 Ca 0.18 0.36 0.01 0.00 0.02 0.00 0.00 54.13 54.70 1gnm s LEU 19 Cb -0.11 -2.24 -0.05 0.00 0.02 0.00 0.00 46.19 43.81 1gnm s LEU 19 CO 0.08 0.12 0.07 -0.54 0.02 0.00 0.00 176.35 176.11 1gnm s LYS 20 N 0.50 1.33 -0.05 1.70 3.01 -0.30 -5.01 119.74 120.90 1gnm s LYS 20 Ca 0.12 -1.70 0.04 0.00 -1.01 0.00 0.00 55.97 53.43 1gnm s LYS 20 Cb -0.12 -0.25 -0.02 0.00 -1.01 0.00 0.00 37.83 36.43 1gnm s LYS 20 CO 0.01 -0.26 -0.18 -2.00 0.51 0.00 0.00 175.35 173.44 1gnm s GLU 21 N -4.01 2.54 0.06 1.68 2.12 -1.26 -1.17 118.70 118.66 1gnm s GLU 21 Ca 0.34 -0.77 0.01 0.00 0.36 0.00 0.00 54.97 54.91 1gnm s GLU 21 Cb 0.07 -2.31 -0.03 0.00 0.26 0.00 0.00 34.13 32.12 1gnm s GLU 21 CO 0.11 0.53 -0.06 0.00 -0.54 0.00 0.00 175.26 175.30 1gnm s ALA 22 N -0.50 0.65 0.03 6.30 0.00 0.32 -4.57 121.76 123.98 1gnm s ALA 22 Ca 0.06 -1.05 -0.19 0.00 0.00 0.00 0.00 51.96 50.79 1gnm s ALA 22 Cb -0.12 0.14 -0.06 0.00 0.00 0.00 0.00 23.12 23.09 1gnm s ALA 22 CO 0.01 -0.19 0.55 -0.51 0.00 0.00 0.00 175.76 175.62 1gnm s LEU 23 N -2.37 4.47 -0.42 0.00 1.43 -0.57 0.16 118.68 121.39 1gnm s LEU 23 Ca 0.01 1.16 -0.29 0.00 -1.03 0.00 0.00 54.13 53.97 1gnm s LEU 23 Cb -0.01 -2.85 0.02 0.00 0.03 0.00 0.00 46.19 43.39 1gnm s LEU 23 CO -0.04 0.21 1.14 -0.76 0.23 0.00 0.00 176.35 177.14 1gnm s LEU 24 N -0.70 3.74 -0.46 1.79 1.02 0.60 -2.10 118.68 122.57 1gnm s LEU 24 Ca 0.29 0.71 0.02 0.00 0.02 0.00 0.00 54.13 55.16 1gnm s LEU 24 Cb -0.18 -3.55 0.12 0.00 0.02 0.00 0.00 46.19 42.60 1gnm s LEU 24 CO 0.17 -1.14 0.21 -0.62 0.02 0.00 0.00 176.35 175.00 1gnm s ASP 25 N 2.30 4.80 0.36 2.29 -1.08 -0.66 -4.82 116.67 119.86 1gnm s ASP 25 Ca 0.48 -2.53 0.26 0.00 -0.52 0.00 0.00 52.55 50.24 1gnm s ASP 25 Cb -0.09 -1.71 1.30 0.00 -1.46 0.00 0.00 42.92 40.95 1gnm s ASP 25 CO 0.26 -0.36 1.79 0.71 0.52 0.00 0.00 175.17 178.09 1gnm h THR 26 N 5.98 0.00 -0.03 1.71 1.35 -1.94 -1.14 112.91 118.84 1gnm h THR 26 Ca -0.06 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1gnm h THR 26 Cb 0.97 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 1gnm h THR 26 CO 0.64 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.52 1gnm n GLY 27 N -0.84 0.15 3.43 5.82 0.00 -1.26 -4.78 105.19 107.71 1gnm n GLY 27 Ca -0.01 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 1gnm n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gnm s ALA 28 N -1.98 3.16 0.26 4.61 0.00 -0.43 -4.97 121.76 122.41 1gnm s ALA 28 Ca 0.36 -1.22 -0.03 0.00 0.00 0.00 0.00 51.96 51.07 1gnm s ALA 28 Cb 0.21 -2.13 0.34 0.00 0.00 0.00 0.00 23.12 21.54 1gnm s ALA 28 CO 0.33 -0.62 1.82 -0.44 0.00 0.00 0.00 175.76 176.85 1gnm h ASP 29 N 8.25 0.87 -1.93 0.00 3.32 -1.86 1.06 116.42 126.13 1gnm h ASP 29 Ca -0.36 -0.14 -0.53 0.00 0.02 0.00 0.00 57.03 56.02 1gnm h ASP 29 Cb 1.16 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 40.42 1gnm h ASP 29 CO 0.59 0.81 -0.52 -1.81 -1.72 0.00 0.00 179.24 176.59 1gnm s ASP 30 N -6.51 4.92 -0.24 6.45 1.01 -1.26 -0.92 116.67 120.12 1gnm s ASP 30 Ca -0.10 -0.64 -0.07 0.00 0.71 0.00 0.00 52.55 52.45 1gnm s ASP 30 Cb 0.16 -0.87 -0.03 0.00 1.01 0.00 0.00 42.92 43.19 1gnm s ASP 30 CO 0.81 -0.26 0.07 -0.89 0.21 0.00 0.00 175.17 175.11 1gnm s THR 31 N -2.36 4.42 -0.18 -1.27 2.01 -1.26 -3.25 115.64 113.75 1gnm s THR 31 Ca 0.38 -0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.24 1gnm s THR 31 Cb -0.04 -3.05 0.04 0.00 0.01 0.00 0.00 72.50 69.45 1gnm s THR 31 CO 0.24 0.36 -0.08 0.54 -0.69 0.00 0.00 174.62 174.99 1gnm s VAL 32 N 1.39 1.39 0.03 3.82 0.11 -0.75 -1.34 120.40 125.05 1gnm s VAL 32 Ca 0.05 -0.83 0.07 0.00 -2.93 0.00 0.00 61.98 58.33 1gnm s VAL 32 Cb -0.15 -1.52 -0.03 0.00 -1.53 0.00 0.00 36.38 33.15 1gnm s VAL 32 CO 0.04 0.15 -0.17 -0.76 -3.33 0.00 0.00 175.10 171.03 1gnm s LEU 33 N 1.51 2.67 0.42 2.54 2.01 -0.43 -0.81 118.68 126.58 1gnm s LEU 33 Ca -0.00 -0.39 -0.20 0.00 0.01 0.00 0.00 54.13 53.55 1gnm s LEU 33 Cb -0.16 -1.55 -0.15 0.00 0.01 0.00 0.00 46.19 44.34 1gnm s LEU 33 CO -0.08 0.26 0.03 -1.84 1.01 0.00 0.00 176.35 175.73 1gnm n GLU 34 N 1.58 0.00 -1.54 1.70 0.28 -1.26 -1.62 120.64 119.78 1gnm n GLU 34 Ca -0.16 0.00 -0.47 0.00 -0.16 0.00 0.00 57.16 56.37 1gnm n GLU 34 Cb 0.52 -0.97 -0.05 0.00 1.43 0.00 0.00 31.44 32.37 1gnm n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1gnm n GLU 35 N 1.34 1.58 -4.18 3.44 0.00 -1.21 -4.46 120.64 117.15 1gnm n GLU 35 Ca 0.10 0.46 -0.14 0.00 0.00 0.00 0.00 57.16 57.57 1gnm n GLU 35 Cb 0.40 -2.80 -0.08 0.00 0.00 0.00 0.00 31.44 28.97 1gnm n GLU 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1gnm s MET 36 N 5.99 1.54 -0.37 5.31 0.23 -1.26 -5.02 119.30 125.72 1gnm s MET 36 Ca 1.04 -1.72 -0.29 0.00 -1.03 0.00 0.00 55.69 53.69 1gnm s MET 36 Cb -0.63 0.35 0.01 0.00 -1.53 0.00 0.00 34.83 33.02 1gnm s MET 36 CO 0.44 -0.58 1.41 -1.12 -2.03 0.00 0.00 175.02 173.14 1gnm s SER 37 N -3.22 6.41 -0.03 -1.18 0.01 -1.26 -5.02 113.70 109.41 1gnm s SER 37 Ca 0.36 0.97 0.02 0.00 1.31 0.00 0.00 55.95 58.61 1gnm s SER 37 Cb 0.03 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.73 1gnm s SER 37 CO 0.18 -1.35 -0.07 -0.22 0.41 0.00 0.00 173.24 172.19 1gnm s LEU 38 N 5.20 1.73 0.40 2.44 2.96 -1.26 -4.93 118.68 125.23 1gnm s LEU 38 Ca 0.61 -0.16 -0.24 0.00 -0.22 0.00 0.00 54.13 54.12 1gnm s LEU 38 Cb -0.15 -0.48 -0.09 0.00 0.50 0.00 0.00 46.19 45.97 1gnm s LEU 38 CO 0.30 0.04 1.09 -2.16 -1.32 0.00 0.00 176.35 174.31 1gnm s PRO 39 N 0.28 4.11 0.00 0.98 0.04 -1.26 -4.96 135.00 134.19 1gnm s PRO 39 Ca -0.04 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1gnm s PRO 39 Cb -0.09 -2.59 0.00 0.00 0.04 0.00 0.00 34.50 31.86 1gnm s PRO 39 CO 0.00 -0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.24 1gnm n GLY 40 N 0.47 0.27 3.76 0.56 0.00 -1.26 -5.02 105.19 103.98 1gnm n GLY 40 Ca 0.05 -2.30 -0.32 0.00 0.00 0.00 0.00 46.02 43.45 1gnm n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gnm s ARG 41 N -0.60 2.94 0.23 1.61 3.00 -1.26 -5.11 118.95 119.75 1gnm s ARG 41 Ca 0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 55.73 55.12 1gnm s ARG 41 Cb 0.00 -2.77 -0.03 0.00 0.00 0.00 0.00 34.95 32.15 1gnm s ARG 41 CO 0.00 0.61 0.22 1.67 0.00 0.00 0.00 175.30 177.79 1gnm s TRP 42 N -1.26 1.15 0.05 -0.53 1.48 -1.26 -4.75 118.94 113.82 1gnm s TRP 42 Ca 0.25 -1.34 0.08 0.00 -1.06 0.00 0.00 56.10 54.03 1gnm s TRP 42 Cb -0.12 -0.46 -0.03 0.00 -1.16 0.00 0.00 33.47 31.70 1gnm s TRP 42 CO 0.17 -0.75 -0.22 0.15 -4.06 0.00 0.00 176.95 172.24 1gnm s LYS 43 N -3.97 1.46 0.31 3.25 1.02 -1.18 -4.92 119.74 115.71 1gnm s LYS 43 Ca 0.37 -1.00 -0.30 0.00 0.02 0.00 0.00 55.97 55.06 1gnm s LYS 43 Cb 0.05 -1.61 -0.11 0.00 -0.52 0.00 0.00 37.83 35.63 1gnm s LYS 43 CO 0.15 0.41 1.58 -2.30 -0.92 0.00 0.00 175.35 174.26 1gnm n PRO 44 N 1.76 2.70 -3.96 -1.68 -0.02 -1.26 -1.23 135.00 131.31 1gnm n PRO 44 Ca -0.17 0.96 -0.09 0.00 -2.02 0.00 0.00 63.50 62.18 1gnm n PRO 44 Cb 0.53 -2.73 -0.09 0.00 -0.02 0.00 0.00 33.50 31.18 1gnm n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1gnm s LYS 45 N -0.82 0.58 -0.02 -0.52 2.20 -0.33 -4.86 119.74 115.97 1gnm s LYS 45 Ca 0.62 -0.84 0.03 0.00 -0.36 0.00 0.00 55.97 55.41 1gnm s LYS 45 Cb -0.49 0.22 -0.00 0.00 -1.51 0.00 0.00 37.83 36.05 1gnm s LYS 45 CO 0.51 -0.14 -0.10 -1.64 -0.36 0.00 0.00 175.35 173.63 1gnm s MET 46 N -2.84 0.91 0.22 4.03 -1.94 -1.26 -1.15 119.30 117.27 1gnm s MET 46 Ca -0.03 -0.35 0.09 0.00 -1.71 0.00 0.00 55.69 53.70 1gnm s MET 46 Cb 0.00 -0.86 -0.05 0.00 2.01 0.00 0.00 34.83 35.93 1gnm s MET 46 CO -0.06 0.18 -0.17 0.96 -0.01 0.00 0.00 175.02 175.92 1gnm s ILE 47 N -0.05 2.01 0.10 2.53 -4.36 -0.28 -4.94 121.20 116.22 1gnm s ILE 47 Ca 0.01 -2.21 0.09 0.00 -0.26 0.00 0.00 60.65 58.28 1gnm s ILE 47 Cb -0.06 -2.09 -0.04 0.00 1.25 0.00 0.00 42.46 41.52 1gnm s ILE 47 CO 0.00 -0.46 -0.21 -0.83 0.24 0.00 0.00 174.94 173.68 1gnm s GLY 48 N -3.23 1.63 0.00 6.27 0.00 -1.26 0.44 107.32 111.16 1gnm s GLY 48 Ca 0.24 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.60 1gnm s GLY 48 CO 0.09 -1.31 0.00 0.61 0.00 0.00 0.00 173.10 172.49 1gnm n GLY 49 N 0.99 4.99 3.65 0.20 0.00 0.10 -4.99 105.19 110.14 1gnm n GLY 49 Ca -0.16 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 1gnm n GLY 49 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1gnm s ILE 50 N 0.48 3.68 0.00 -0.61 1.10 -1.26 -2.19 121.20 122.41 1gnm s ILE 50 Ca 0.00 0.81 0.00 0.00 -0.51 0.00 0.00 60.65 60.95 1gnm s ILE 50 Cb 0.00 -3.56 0.00 0.00 0.15 0.00 0.00 42.46 39.05 1gnm s ILE 50 CO 0.00 -0.11 0.00 0.61 -2.11 0.00 0.00 174.94 173.33 1gnm n GLY 51 N 4.16 2.30 0.00 1.50 0.00 -1.26 -5.01 105.19 106.89 1gnm n GLY 51 Ca 0.17 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1gnm n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gnm n GLY 52 N 0.00 0.17 3.82 -0.02 0.00 -0.93 -5.09 105.19 103.14 1gnm n GLY 52 Ca 0.00 -1.73 -0.34 0.00 0.00 0.00 0.00 46.02 43.95 1gnm n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1gnm s PHE 53 N -1.08 3.39 0.12 1.61 -0.71 -1.26 0.00 117.98 120.04 1gnm s PHE 53 Ca 0.00 0.28 0.07 0.00 -1.04 0.00 0.00 56.93 56.24 1gnm s PHE 53 Cb 0.00 -1.79 -0.04 0.00 -1.21 0.00 0.00 43.02 39.99 1gnm s PHE 53 CO 0.00 0.59 -0.16 0.96 -1.34 0.00 0.00 175.22 175.27 1gnm s ILE 54 N -1.20 1.48 -0.31 -4.49 -4.36 0.17 -4.97 121.20 107.52 1gnm s ILE 54 Ca 0.23 -1.67 -0.15 0.00 -0.26 0.00 0.00 60.65 58.79 1gnm s ILE 54 Cb -0.12 -1.54 -0.02 0.00 1.25 0.00 0.00 42.46 42.03 1gnm s ILE 54 CO 0.14 -0.30 0.38 -0.75 0.24 0.00 0.00 174.94 174.65 1gnm s LYS 55 N -2.42 3.75 0.28 0.37 2.20 -1.26 -1.12 119.74 121.53 1gnm s LYS 55 Ca 0.08 -0.21 0.08 0.00 -0.36 0.00 0.00 55.97 55.57 1gnm s LYS 55 Cb -0.07 -3.75 -0.06 0.00 -1.51 0.00 0.00 37.83 32.45 1gnm s LYS 55 CO 0.04 -0.44 -0.10 0.14 -0.36 0.00 0.00 175.35 174.63 1gnm s VAL 56 N 2.09 1.85 -0.17 4.02 -7.23 -0.30 -4.46 120.40 116.21 1gnm s VAL 56 Ca 0.14 -2.19 -0.05 0.00 -1.81 0.00 0.00 61.98 58.07 1gnm s VAL 56 Cb -0.16 -2.39 -0.03 0.00 0.56 0.00 0.00 36.38 34.36 1gnm s VAL 56 CO 0.11 -0.35 -0.00 -0.13 -0.31 0.00 0.00 175.10 174.42 1gnm s ARG 57 N -3.67 3.75 -0.21 4.82 0.52 -0.35 -1.19 118.95 122.62 1gnm s ARG 57 Ca 0.29 -0.47 -0.16 0.00 -0.52 0.00 0.00 55.73 54.87 1gnm s ARG 57 Cb 0.02 -3.03 -0.04 0.00 0.52 0.00 0.00 34.95 32.42 1gnm s ARG 57 CO 0.12 0.22 0.43 -1.14 0.02 0.00 0.00 175.30 174.95 1gnm s GLN 58 N 0.46 4.15 -0.15 3.54 0.74 -0.37 -0.54 119.66 127.50 1gnm s GLN 58 Ca -0.01 0.23 0.01 0.00 0.05 0.00 0.00 55.36 55.64 1gnm s GLN 58 Cb -0.14 -3.56 0.00 0.00 1.10 0.00 0.00 33.01 30.41 1gnm s GLN 58 CO 0.02 -0.11 -0.17 0.71 -0.55 0.00 0.00 175.29 175.19 1gnm s TYR 59 N 1.53 2.74 0.28 1.67 1.51 1.00 -3.13 117.35 122.96 1gnm s TYR 59 Ca 0.20 -1.13 -0.00 0.00 -1.01 0.00 0.00 57.07 55.13 1gnm s TYR 59 Cb -0.15 -1.86 -0.04 0.00 -0.11 0.00 0.00 41.96 39.80 1gnm s TYR 59 CO 0.09 -0.51 0.48 -0.51 -1.11 0.00 0.00 175.55 173.99 1gnm s ASP 60 N 0.80 6.35 -1.55 2.29 1.11 -1.26 0.46 116.67 124.87 1gnm s ASP 60 Ca -0.06 0.44 -0.12 0.00 0.18 0.00 0.00 52.55 52.99 1gnm s ASP 60 Cb -0.15 -2.03 0.09 0.00 1.07 0.00 0.00 42.92 41.90 1gnm s ASP 60 CO -0.00 -0.18 0.81 0.00 1.18 0.00 0.00 175.17 176.97 1gnm n GLN 61 N -1.27 -4.39 -3.47 8.23 6.02 -1.03 -4.85 117.38 116.61 1gnm n GLN 61 Ca -0.05 0.50 -0.37 0.00 -0.01 0.00 0.00 57.00 57.07 1gnm n GLN 61 Cb 0.55 -5.19 -0.06 0.00 1.02 0.00 0.00 30.24 26.56 1gnm n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1gnm s ILE 62 N -3.44 5.17 -0.09 5.09 -1.09 -0.59 -4.78 121.20 121.47 1gnm s ILE 62 Ca 0.52 0.77 -0.24 0.00 -2.23 0.00 0.00 60.65 59.47 1gnm s ILE 62 Cb -0.27 -3.71 -0.03 0.00 -1.58 0.00 0.00 42.46 36.87 1gnm s ILE 62 CO 0.87 0.46 0.73 -0.22 -1.23 0.00 0.00 174.94 175.55 1gnm s LEU 63 N -0.19 4.28 0.01 2.97 2.96 -1.26 -1.38 118.68 126.07 1gnm s LEU 63 Ca 0.22 1.18 0.07 0.00 -0.22 0.00 0.00 54.13 55.38 1gnm s LEU 63 Cb -0.15 -3.12 -0.02 0.00 0.50 0.00 0.00 46.19 43.40 1gnm s LEU 63 CO 0.10 -0.18 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.11 1gnm s ILE 64 N 1.12 1.61 -0.26 6.68 1.01 -0.76 -4.37 121.20 126.23 1gnm s ILE 64 Ca 0.38 -0.99 -0.03 0.00 0.00 0.00 0.00 60.65 60.01 1gnm s ILE 64 Cb -0.18 -1.36 0.02 0.00 0.01 0.00 0.00 42.46 40.95 1gnm s ILE 64 CO 0.17 0.35 -0.03 -1.61 0.00 0.00 0.00 174.94 173.82 1gnm s GLU 65 N -0.75 2.97 -0.22 2.79 2.02 0.11 -2.25 118.70 123.36 1gnm s GLU 65 Ca 0.08 -0.90 -0.06 0.00 0.02 0.00 0.00 54.97 54.10 1gnm s GLU 65 Cb -0.08 -3.08 -0.03 0.00 0.10 0.00 0.00 34.13 31.04 1gnm s GLU 65 CO 0.00 -0.38 0.03 0.42 0.02 0.00 0.00 175.26 175.35 1gnm s ILE 66 N 1.39 4.15 -1.07 -1.63 1.01 0.14 -1.48 121.20 123.71 1gnm s ILE 66 Ca 0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 60.65 60.40 1gnm s ILE 66 Cb -0.16 -2.90 0.00 0.00 0.01 0.00 0.00 42.46 39.41 1gnm s ILE 66 CO -0.03 0.40 0.06 0.00 0.00 0.00 0.00 174.94 175.37 1gnm n GLY 68 N -2.09 2.77 3.77 0.00 0.00 -1.26 -5.03 105.19 103.35 1gnm n GLY 68 Ca -0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 1gnm n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gnm s HIS 69 N -0.78 3.66 0.01 1.61 4.02 0.55 -4.98 115.29 119.39 1gnm s HIS 69 Ca 0.00 1.78 -0.01 0.00 1.02 0.00 0.00 55.06 57.84 1gnm s HIS 69 Cb 0.00 -3.02 -0.04 0.00 -1.02 0.00 0.00 32.58 28.50 1gnm s HIS 69 CO 0.00 0.01 0.16 0.15 1.02 0.00 0.00 174.74 176.08 1gnm s LYS 70 N -1.87 3.32 0.04 1.40 1.02 -1.26 0.27 119.74 122.65 1gnm s LYS 70 Ca 0.49 -0.41 -0.15 0.00 0.02 0.00 0.00 55.97 55.92 1gnm s LYS 70 Cb -0.22 -3.01 0.02 0.00 -0.52 0.00 0.00 37.83 34.10 1gnm s LYS 70 CO 0.28 0.65 0.33 0.00 -0.92 0.00 0.00 175.35 175.69 1gnm s ALA 71 N -1.35 -0.76 -0.08 5.17 0.00 -0.96 -4.88 121.76 118.92 1gnm s ALA 71 Ca 0.28 0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.38 1gnm s ALA 71 Cb -0.13 0.31 -0.01 0.00 0.00 0.00 0.00 23.12 23.29 1gnm s ALA 71 CO 0.20 -0.41 -0.23 0.42 0.00 0.00 0.00 175.76 175.74 1gnm s ILE 72 N -2.45 2.19 0.06 0.00 1.01 -1.26 -1.83 121.20 118.92 1gnm s ILE 72 Ca -0.06 -1.00 -0.09 0.00 0.00 0.00 0.00 60.65 59.50 1gnm s ILE 72 Cb -0.01 -1.82 0.03 0.00 0.01 0.00 0.00 42.46 40.67 1gnm s ILE 72 CO -0.03 0.56 0.43 0.61 0.00 0.00 0.00 174.94 176.52 1gnm n GLY 73 N 3.13 0.96 3.73 6.18 0.00 -0.48 -4.90 105.19 113.81 1gnm n GLY 73 Ca -0.18 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 1gnm n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gnm s THR 74 N -2.33 4.61 -0.09 2.61 2.01 -1.26 -1.54 115.64 119.65 1gnm s THR 74 Ca 0.10 1.95 0.03 0.00 0.31 0.00 0.00 61.69 64.07 1gnm s THR 74 Cb -0.01 -4.26 0.01 0.00 0.01 0.00 0.00 72.50 68.25 1gnm s THR 74 CO 0.02 0.31 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.41 1gnm s VAL 75 N 0.10 1.50 -0.21 3.82 1.01 0.17 -4.56 120.40 122.23 1gnm s VAL 75 Ca 0.45 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.66 1gnm s VAL 75 Cb -0.22 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 1gnm s VAL 75 CO 0.28 0.44 0.13 -0.76 0.00 0.00 0.00 175.10 175.18 1gnm s LEU 76 N 0.67 4.09 -0.19 3.92 1.43 -0.45 -0.00 118.68 128.15 1gnm s LEU 76 Ca -0.13 0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 53.10 1gnm s LEU 76 Cb -0.16 -2.07 -0.00 0.00 0.03 0.00 0.00 46.19 43.99 1gnm s LEU 76 CO 0.04 0.14 -0.10 -0.69 0.23 0.00 0.00 176.35 175.96 1gnm s VAL 77 N 0.61 2.99 0.00 -1.59 1.01 0.30 -1.31 120.40 122.41 1gnm s VAL 77 Ca 0.07 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 1gnm s VAL 77 Cb -0.12 -2.31 0.01 0.00 0.00 0.00 0.00 36.38 33.96 1gnm s VAL 77 CO 0.01 0.48 0.15 0.61 0.00 0.00 0.00 175.10 176.34 1gnm n GLY 78 N 4.40 0.68 2.50 4.51 0.00 -0.64 -1.22 105.19 115.42 1gnm n GLY 78 Ca -0.19 -0.87 -0.00 0.00 0.00 0.00 0.00 46.02 44.96 1gnm n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gnm n PRO 79 N -0.11 0.06 -3.57 1.61 -0.04 -1.26 -3.31 135.00 128.38 1gnm n PRO 79 Ca 0.00 -0.04 -0.32 0.00 -0.04 0.00 0.00 63.50 63.10 1gnm n PRO 79 Cb 0.07 -1.53 -0.05 0.00 -0.04 0.00 0.00 33.50 31.95 1gnm n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1gnm s THR 80 N 2.99 5.07 0.18 0.52 -1.32 -1.26 -5.01 115.64 116.80 1gnm s THR 80 Ca 0.02 0.27 -0.10 0.00 -1.21 0.00 0.00 61.69 60.67 1gnm s THR 80 Cb 0.01 -3.63 0.07 0.00 -1.51 0.00 0.00 72.50 67.44 1gnm s THR 80 CO -0.00 0.06 1.67 1.55 -2.21 0.00 0.00 174.62 175.69 1gnm h PRO 81 N 2.94 1.02 -5.27 7.08 0.13 -1.97 -3.43 132.00 132.50 1gnm h PRO 81 Ca -0.47 -0.28 -0.47 0.00 -0.87 0.00 0.00 66.00 63.91 1gnm h PRO 81 Cb 1.17 -0.12 -0.14 0.00 0.13 0.00 0.00 31.00 32.05 1gnm h PRO 81 CO 0.70 0.96 -0.62 -0.51 -0.23 0.00 0.00 178.00 178.29 1gnm s ASP 82 N -6.41 2.42 -0.04 1.44 1.01 -1.26 -5.01 116.67 108.82 1gnm s ASP 82 Ca -0.12 -1.33 -0.27 0.00 0.71 0.00 0.00 52.55 51.54 1gnm s ASP 82 Cb 0.13 -0.10 -0.03 0.00 1.01 0.00 0.00 42.92 43.93 1gnm s ASP 82 CO 0.84 -0.55 0.85 0.20 0.21 0.00 0.00 175.17 176.71 1gnm s ASN 83 N -3.47 7.18 -0.15 0.27 0.01 -1.26 -4.44 114.94 113.08 1gnm s ASN 83 Ca 0.35 1.43 0.01 0.00 -0.71 0.00 0.00 52.86 53.93 1gnm s ASN 83 Cb 0.08 -2.49 0.00 0.00 0.41 0.00 0.00 41.25 39.24 1gnm s ASN 83 CO 0.14 -0.20 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.73 1gnm s ILE 84 N 0.98 2.53 -0.15 0.60 1.01 0.01 -1.50 121.20 124.68 1gnm s ILE 84 Ca 0.45 -0.82 -0.18 0.00 0.00 0.00 0.00 60.65 60.10 1gnm s ILE 84 Cb -0.19 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 1gnm s ILE 84 CO 0.23 0.52 0.46 -0.63 0.00 0.00 0.00 174.94 175.53 1gnm s ILE 85 N 0.77 5.18 0.16 2.92 -1.09 -0.89 -1.81 121.20 126.45 1gnm s ILE 85 Ca -0.06 0.90 0.00 0.00 -2.23 0.00 0.00 60.65 59.25 1gnm s ILE 85 Cb -0.15 -3.80 -0.00 0.00 -1.58 0.00 0.00 42.46 36.92 1gnm s ILE 85 CO 0.00 0.28 0.01 0.61 -1.23 0.00 0.00 174.94 174.62 1gnm n GLY 86 N 3.51 3.95 0.36 6.18 0.00 -1.20 -1.65 105.19 116.34 1gnm n GLY 86 Ca -0.07 -2.20 0.13 0.00 0.00 0.00 0.00 46.02 43.87 1gnm n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1gnm h ARG 87 N 0.00 0.45 -0.64 1.61 3.08 0.13 -2.50 114.38 116.52 1gnm h ARG 87 Ca -0.14 -0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.00 1gnm h ARG 87 Cb 0.43 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 1gnm h ARG 87 CO 0.22 0.30 0.43 -2.95 -1.07 0.00 0.00 179.97 176.90 1gnm h ASN 88 N 0.47 0.35 0.03 7.04 -1.07 -1.28 -3.02 115.58 118.10 1gnm h ASN 88 Ca 0.33 0.01 -0.38 0.00 0.07 0.00 0.00 56.30 56.32 1gnm h ASN 88 Cb 0.63 -0.06 -0.06 0.00 -2.07 0.00 0.00 38.32 36.76 1gnm h ASN 88 CO -0.10 0.20 -2.39 0.18 0.07 0.00 0.00 177.43 175.39 1gnm n LEU 89 N -4.47 2.59 0.02 6.14 7.99 -1.01 -4.42 117.00 123.84 1gnm n LEU 89 Ca 0.11 -0.06 0.20 0.00 -0.01 0.00 0.00 56.01 56.24 1gnm n LEU 89 Cb 0.43 -0.78 0.70 0.00 -0.11 0.00 0.00 43.42 43.66 1gnm n LEU 89 CO 0.34 0.87 1.18 -0.07 -1.51 0.00 0.00 177.39 178.20 1gnm h LEU 90 N 0.01 0.00 -0.30 2.23 3.38 -1.45 0.27 115.31 119.45 1gnm h LEU 90 Ca -0.55 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.40 1gnm h LEU 90 Cb 1.96 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.70 1gnm h LEU 90 CO -0.05 0.00 -0.10 0.71 0.09 0.00 0.00 178.44 179.09 1gnm h THR 91 N 0.00 0.18 0.01 0.22 1.35 -1.74 -1.44 112.91 111.50 1gnm h THR 91 Ca 0.24 -1.14 -0.23 0.00 -0.55 0.00 0.00 66.41 64.73 1gnm h THR 91 Cb 0.97 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 1gnm h THR 91 CO -0.00 0.10 -0.97 -0.61 -0.25 0.00 0.00 175.52 173.79 1gnm h GLN 92 N 0.00 0.38 -0.65 4.72 4.15 -0.67 -3.02 115.11 120.01 1gnm h GLN 92 Ca -0.00 -0.43 0.00 0.00 0.77 0.00 0.00 58.65 58.99 1gnm h GLN 92 Cb 0.97 0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.79 1gnm h GLN 92 CO 0.01 1.11 0.00 0.44 -1.93 0.00 0.00 178.83 178.46 1gnm n ILE 93 N -3.72 0.96 -1.47 2.39 -5.35 -1.00 -4.93 119.36 106.24 1gnm n ILE 93 Ca -0.07 -0.56 -0.13 0.00 -0.27 0.00 0.00 62.75 61.73 1gnm n ILE 93 Cb 0.85 -0.20 -0.05 0.00 -1.74 0.00 0.00 39.64 38.51 1gnm n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1gnm n GLY 94 N 0.52 1.21 3.72 3.28 0.00 -1.14 -5.01 105.19 107.77 1gnm n GLY 94 Ca 0.12 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 1gnm n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gnm s THR 96 N 0.76 1.66 -0.11 0.00 -4.23 -1.26 -4.74 115.64 107.72 1gnm s THR 96 Ca 0.61 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.04 1gnm s THR 96 Cb -0.35 -2.66 -0.02 0.00 1.34 0.00 0.00 72.50 70.81 1gnm s THR 96 CO 0.33 -0.16 -0.12 -0.22 -0.54 0.00 0.00 174.62 173.91 1gnm s LEU 97 N -3.52 2.83 -0.07 4.79 2.96 -1.26 -5.10 118.68 119.31 1gnm s LEU 97 Ca 0.33 -0.24 0.04 0.00 -0.22 0.00 0.00 54.13 54.03 1gnm s LEU 97 Cb 0.06 -1.63 0.00 0.00 0.50 0.00 0.00 46.19 45.12 1gnm s LEU 97 CO 0.14 0.22 -0.19 0.20 -1.32 0.00 0.00 176.35 175.41 1gnm s ASN 98 N 0.01 2.45 0.00 3.68 0.01 -1.26 -5.29 114.94 114.54 1gnm s ASN 98 Ca -0.03 -0.42 0.00 0.00 -0.71 0.00 0.00 52.86 51.70 1gnm s ASN 98 Cb -0.14 -0.96 0.00 0.00 0.41 0.00 0.00 41.25 40.56 1gnm s ASN 98 CO 0.04 0.13 0.00 2.22 -1.51 0.00 0.00 177.10 177.98