#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h0d h THR 16 N 0.00 1.20 -2.63 3.15 2.02 -2.13 -3.48 112.91 111.04 2h0d h THR 16 Ca 0.00 -2.99 -0.37 0.00 0.77 0.00 0.00 66.41 63.82 2h0d h THR 16 Cb 0.00 2.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.99 2h0d h THR 16 CO 0.00 0.69 -0.48 0.79 0.37 0.00 0.00 175.52 176.89 2h0d n TRP 17 N -3.18 -0.87 -1.76 3.16 7.02 -1.26 -4.98 117.44 115.57 2h0d n TRP 17 Ca -0.10 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 55.96 2h0d n TRP 17 Cb 1.01 -3.65 -0.02 0.00 -2.42 0.00 0.00 31.31 26.23 2h0d n TRP 17 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 2h0d s GLU 18 N -4.91 4.12 -0.09 -0.99 -1.05 -1.26 -5.00 118.70 109.51 2h0d s GLU 18 Ca 0.00 2.59 -0.13 0.00 -0.15 0.00 0.00 54.97 57.28 2h0d s GLU 18 Cb 0.00 -3.03 -0.05 0.00 -0.44 0.00 0.00 34.13 30.61 2h0d s GLU 18 CO 0.00 -0.66 0.31 -0.51 0.95 0.00 0.00 175.26 175.36 2h0d s LEU 19 N -0.22 4.36 0.96 1.83 1.43 -1.26 -5.09 118.68 120.68 2h0d s LEU 19 Ca 0.65 0.68 -0.13 0.00 -1.03 0.00 0.00 54.13 54.30 2h0d s LEU 19 Cb -0.48 -2.41 0.16 0.00 0.03 0.00 0.00 46.19 43.49 2h0d s LEU 19 CO 0.45 0.24 1.14 -0.94 0.23 0.00 0.00 176.35 177.46 2h0d s SER 20 N -0.38 3.08 0.17 2.29 1.04 -1.26 -4.78 113.70 113.86 2h0d s SER 20 Ca 0.19 0.94 -0.14 0.00 0.48 0.00 0.00 55.95 57.42 2h0d s SER 20 Cb -0.14 -1.48 0.10 0.00 0.10 0.00 0.00 66.02 64.60 2h0d s SER 20 CO 0.08 -2.82 1.77 -0.07 0.98 0.00 0.00 173.24 173.17 2h0d h LEU 21 N -1.68 0.24 -0.83 2.42 3.38 -1.99 0.09 115.31 116.93 2h0d h LEU 21 Ca -0.51 0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.52 2h0d h LEU 21 Cb 1.33 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.03 2h0d h LEU 21 CO 0.58 0.17 0.54 0.22 0.09 0.00 0.00 178.44 180.04 2h0d h TYR 22 N 0.38 1.02 -0.26 1.13 3.20 -1.99 -3.01 116.97 117.44 2h0d h TYR 22 Ca 0.20 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.97 2h0d h TYR 22 Cb 0.15 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.06 2h0d h TYR 22 CO -0.13 0.62 -0.33 0.93 -1.64 0.00 0.00 178.16 177.61 2h0d h GLU 23 N 1.08 0.56 0.00 1.82 5.08 -1.74 -1.41 114.58 119.96 2h0d h GLU 23 Ca 0.32 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2h0d h GLU 23 Cb -0.07 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.17 2h0d h GLU 23 CO -0.09 0.82 0.00 -0.07 -1.00 0.00 0.00 179.01 178.67 2h0d h LEU 24 N 0.47 0.00 -0.12 1.33 3.38 -0.86 -3.13 115.31 116.38 2h0d h LEU 24 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2h0d h LEU 24 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2h0d h LEU 24 CO 0.07 0.00 -0.09 1.67 0.09 0.00 0.00 178.44 180.17 2h0d n GLN 25 N -2.58 5.48 -1.76 1.13 0.00 -0.90 -5.07 117.38 113.67 2h0d n GLN 25 Ca -0.01 -0.07 -0.36 0.00 -0.00 0.00 0.00 57.00 56.56 2h0d n GLN 25 Cb 0.14 -0.66 0.06 0.00 0.00 0.00 0.00 30.24 29.79 2h0d n GLN 25 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 2h0d s ARG 26 N -1.10 2.58 0.28 3.69 1.70 -0.58 -5.04 118.95 120.47 2h0d s ARG 26 Ca 0.01 1.98 0.12 0.00 -0.47 0.00 0.00 55.73 57.37 2h0d s ARG 26 Cb 0.02 -1.86 -0.05 0.00 -0.57 0.00 0.00 34.95 32.49 2h0d s ARG 26 CO 0.09 -1.55 -0.20 0.95 -1.08 0.00 0.00 175.30 173.50 2h0d s THR 27 N -1.50 2.47 0.74 4.99 -4.23 -1.26 -5.07 115.64 111.77 2h0d s THR 27 Ca 0.81 -2.40 -0.15 0.00 -1.18 0.00 0.00 61.69 58.77 2h0d s THR 27 Cb -0.35 -2.29 0.03 0.00 1.34 0.00 0.00 72.50 71.22 2h0d s THR 27 CO 0.39 -0.39 1.07 -0.81 -0.54 0.00 0.00 174.62 174.34 2h0d n PRO 28 N -0.59 0.49 -3.15 3.99 -0.04 -1.26 -4.98 135.00 129.47 2h0d n PRO 28 Ca -0.05 0.23 -0.45 0.00 -0.04 0.00 0.00 63.50 63.19 2h0d n PRO 28 Cb 0.60 -2.32 -0.05 0.00 -0.04 0.00 0.00 33.50 31.69 2h0d n PRO 28 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2h0d s GLN 29 N -3.56 3.03 0.51 0.54 -1.52 -1.26 -5.05 119.66 112.35 2h0d s GLN 29 Ca 0.74 -1.38 -0.23 0.00 -1.95 0.00 0.00 55.36 52.54 2h0d s GLN 29 Cb -0.33 -4.27 -0.06 0.00 -0.22 0.00 0.00 33.01 28.13 2h0d s GLN 29 CO 0.49 -1.50 1.37 -1.21 -0.25 0.00 0.00 175.29 174.19 2h0d s GLU 30 N 2.49 3.37 0.39 2.91 0.41 -1.26 -4.95 118.70 122.07 2h0d s GLU 30 Ca 0.10 2.26 -0.28 0.00 -0.41 0.00 0.00 54.97 56.65 2h0d s GLU 30 Cb -0.25 -2.41 -0.11 0.00 -1.78 0.00 0.00 34.13 29.59 2h0d s GLU 30 CO 0.06 -1.01 1.48 0.00 -0.49 0.00 0.00 175.26 175.30 2h0d s ALA 31 N -1.28 3.52 -0.55 5.21 0.00 -1.26 -4.96 121.76 122.44 2h0d s ALA 31 Ca 0.67 1.57 -0.28 0.00 0.00 0.00 0.00 51.96 53.92 2h0d s ALA 31 Cb -0.41 -3.61 0.03 0.00 0.00 0.00 0.00 23.12 19.13 2h0d s ALA 31 CO 0.50 -1.09 1.14 0.42 0.00 0.00 0.00 175.76 176.73 2h0d s ILE 32 N -1.13 4.12 -0.31 0.00 1.01 -1.26 -4.88 121.20 118.75 2h0d s ILE 32 Ca 0.54 0.91 0.20 0.00 0.00 0.00 0.00 60.65 62.30 2h0d s ILE 32 Cb -0.46 -4.67 -0.29 0.00 0.01 0.00 0.00 42.46 37.05 2h0d s ILE 32 CO 0.62 -1.22 0.57 0.35 0.00 0.00 0.00 174.94 175.26 2h0d n THR 33 N 6.66 0.00 -2.35 2.92 -2.24 -1.26 -4.94 114.28 113.06 2h0d n THR 33 Ca 0.09 -0.33 -0.37 0.00 -2.27 0.00 0.00 64.05 61.16 2h0d n THR 33 Cb 0.49 0.33 -0.02 0.00 -2.10 0.00 0.00 70.33 69.03 2h0d n THR 33 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2h0d s ASP 34 N -3.89 6.48 -0.92 3.42 -1.08 -1.26 -4.86 116.67 114.55 2h0d s ASP 34 Ca -0.03 2.25 -0.26 0.00 -0.52 0.00 0.00 52.55 53.99 2h0d s ASP 34 Cb 0.14 -2.60 -0.18 0.00 -1.46 0.00 0.00 42.92 38.82 2h0d s ASP 34 CO 0.84 -0.70 2.28 -0.83 0.52 0.00 0.00 175.17 177.28 2h0d s GLY 35 N -1.32 -0.96 -0.13 2.66 0.00 -1.26 -4.91 107.32 101.40 2h0d s GLY 35 Ca 0.59 -1.10 -0.04 0.00 0.00 0.00 0.00 44.72 44.17 2h0d s GLY 35 CO 0.34 4.26 0.01 -2.27 0.00 0.00 0.00 173.10 175.44 2h0d s LEU 36 N 15.81 3.58 -0.00 0.66 2.96 -1.26 -5.11 118.68 135.31 2h0d s LEU 36 Ca 0.88 0.07 -0.02 0.00 -0.22 0.00 0.00 54.13 54.84 2h0d s LEU 36 Cb -0.09 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 2h0d s LEU 36 CO 0.12 0.28 0.16 -1.61 -1.32 0.00 0.00 176.35 173.99 2h0d s GLU 37 N -0.31 3.36 -0.14 1.98 8.01 -1.26 -5.10 118.70 125.25 2h0d s GLU 37 Ca 0.07 -0.36 -0.03 0.00 0.01 0.00 0.00 54.97 54.66 2h0d s GLU 37 Cb -0.12 -3.05 -0.03 0.00 -4.31 0.00 0.00 34.13 26.62 2h0d s GLU 37 CO 0.02 0.67 -0.05 0.42 0.01 0.00 0.00 175.26 176.33 2h0d s ILE 38 N -1.31 3.84 -0.50 -1.63 1.01 -1.26 -5.06 121.20 116.28 2h0d s ILE 38 Ca 0.27 -0.39 -0.29 0.00 0.00 0.00 0.00 60.65 60.25 2h0d s ILE 38 Cb -0.13 -2.66 0.02 0.00 0.01 0.00 0.00 42.46 39.71 2h0d s ILE 38 CO 0.18 0.52 1.27 -0.69 0.00 0.00 0.00 174.94 176.22 2h0d s VAL 39 N 0.14 4.01 -0.18 2.92 1.01 -1.26 -4.83 120.40 122.22 2h0d s VAL 39 Ca -0.02 0.98 0.16 0.00 0.00 0.00 0.00 61.98 63.10 2h0d s VAL 39 Cb -0.14 -4.49 0.44 0.00 0.00 0.00 0.00 36.38 32.19 2h0d s VAL 39 CO 0.03 -1.04 1.19 0.52 0.00 0.00 0.00 175.10 175.80 2h0d n VAL 40 N 6.89 1.58 0.18 2.92 0.31 -1.26 -4.90 118.33 124.05 2h0d n VAL 40 Ca 0.13 -2.82 -0.15 0.00 -0.01 0.00 0.00 64.34 61.48 2h0d n VAL 40 Cb 0.49 0.10 -0.08 0.00 -0.91 0.00 0.00 33.84 33.44 2h0d n VAL 40 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2h0d h SER 41 N 1.44 -1.14 -3.26 4.52 0.87 -1.99 -3.39 113.55 110.58 2h0d h SER 41 Ca -0.00 0.11 -0.55 0.00 -1.23 0.00 0.00 61.79 60.12 2h0d h SER 41 Cb 1.38 0.41 -0.03 0.00 -0.44 0.00 0.00 62.40 63.71 2h0d h SER 41 CO 0.20 -0.52 -0.20 -2.16 -0.53 0.00 0.00 176.83 173.63 2h0d s PRO 42 N -5.94 3.69 -0.30 2.24 0.04 -1.26 -5.00 135.00 128.47 2h0d s PRO 42 Ca -0.17 0.06 0.11 0.00 0.04 0.00 0.00 61.00 61.04 2h0d s PRO 42 Cb 0.06 -2.72 0.72 0.00 0.04 0.00 0.00 34.50 32.60 2h0d s PRO 42 CO 0.63 0.35 1.74 2.89 0.04 0.00 0.00 177.00 182.65 2h0d n ARG 43 N -0.26 3.63 -0.23 4.56 -4.01 -1.26 -4.30 116.66 114.79 2h0d n ARG 43 Ca -0.01 -3.09 0.02 0.00 -1.04 0.00 0.00 57.85 53.74 2h0d n ARG 43 Cb 0.53 -2.16 0.12 0.00 -3.04 0.00 0.00 32.46 27.90 2h0d n ARG 43 CO 0.00 0.00 0.00 0.43 -3.04 0.00 0.00 177.63 175.02 2h0d n SER 44 N -0.19 2.10 0.00 2.89 7.64 -1.26 -2.98 113.62 121.82 2h0d n SER 44 Ca 0.37 -2.21 0.00 0.00 1.01 0.00 0.00 58.87 58.05 2h0d n SER 44 Cb 1.30 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 64.05 2h0d n SER 44 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2h0d n LEU 45 N 0.18 0.06 -3.46 -3.43 7.99 -1.26 -4.90 117.00 112.19 2h0d n LEU 45 Ca 0.08 -0.49 -0.27 0.00 -0.01 0.00 0.00 56.01 55.33 2h0d n LEU 45 Cb 0.44 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.66 2h0d n LEU 45 CO 0.09 0.02 -0.21 1.41 -1.51 0.00 0.00 177.39 177.18 2h0d n HIS 46 N -0.86 0.63 1.42 -1.77 8.25 -1.16 -4.93 115.22 116.80 2h0d n HIS 46 Ca 0.00 -3.68 0.15 0.00 -0.26 0.00 0.00 57.72 53.93 2h0d n HIS 46 Cb 0.00 -0.16 0.71 0.00 1.12 0.00 0.00 29.99 31.66 2h0d n HIS 46 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2h0d n SER 47 N 2.08 0.13 -0.03 0.41 3.41 -1.26 -3.32 113.62 115.04 2h0d n SER 47 Ca 0.26 -0.26 0.14 0.00 -0.26 0.00 0.00 58.87 58.74 2h0d n SER 47 Cb 0.46 -0.22 0.58 0.00 -0.26 0.00 0.00 64.21 64.77 2h0d n SER 47 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2h0d n GLU 48 N -1.20 0.25 0.00 4.33 4.71 -1.26 -2.90 120.64 124.58 2h0d n GLU 48 Ca 0.14 -0.06 0.12 0.00 -0.01 0.00 0.00 57.16 57.35 2h0d n GLU 48 Cb 0.25 -1.50 0.08 0.00 -1.01 0.00 0.00 31.44 29.26 2h0d n GLU 48 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2h0d n LEU 49 N -1.32 1.99 -4.83 -4.62 4.77 -1.21 -4.92 117.00 106.85 2h0d n LEU 49 Ca 0.10 -0.71 -0.36 0.00 -0.03 0.00 0.00 56.01 55.01 2h0d n LEU 49 Cb 0.30 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.31 2h0d n LEU 49 CO 0.27 0.36 -0.17 -0.04 -1.33 0.00 0.00 177.39 176.48 2h0d s MET 50 N -2.41 3.67 0.10 3.23 -1.94 -1.14 -0.76 119.30 120.04 2h0d s MET 50 Ca 0.21 -0.15 -0.30 0.00 -1.71 0.00 0.00 55.69 53.74 2h0d s MET 50 Cb 0.19 -3.26 -0.06 0.00 2.01 0.00 0.00 34.83 33.71 2h0d s MET 50 CO 0.53 0.64 1.10 0.00 -0.01 0.00 0.00 175.02 177.27 2h0d h PRO 52 N 6.07 0.00 0.14 0.00 0.11 -1.90 0.19 132.00 136.61 2h0d h PRO 52 Ca -0.43 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 2h0d h PRO 52 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2h0d h PRO 52 CO 0.76 0.12 -0.07 0.82 -0.21 0.00 0.00 178.00 179.42 2h0d h ILE 53 N 0.00 0.00 0.00 4.15 1.08 -1.93 -3.39 117.51 117.42 2h0d h ILE 53 Ca -0.00 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 2h0d h ILE 53 Cb 0.25 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.00 2h0d h ILE 53 CO 0.02 0.00 -0.70 0.00 -0.69 0.00 0.00 178.15 176.77 2h0d n LEU 55 N -1.50 -2.84 -4.54 0.00 4.32 0.66 -5.01 117.00 108.09 2h0d n LEU 55 Ca 0.05 -0.79 -0.26 0.00 -0.02 0.00 0.00 56.01 54.99 2h0d n LEU 55 Cb 0.33 -2.62 -0.11 0.00 -1.62 0.00 0.00 43.42 39.40 2h0d n LEU 55 CO 0.38 0.45 -0.38 -1.81 -1.22 0.00 0.00 177.39 174.81 2h0d s ASP 56 N -3.80 3.70 -0.41 -1.43 1.11 -1.25 -4.84 116.67 109.75 2h0d s ASP 56 Ca 0.35 -1.20 -0.43 0.00 0.18 0.00 0.00 52.55 51.45 2h0d s ASP 56 Cb -0.17 -0.34 -0.17 0.00 1.07 0.00 0.00 42.92 43.30 2h0d s ASP 56 CO 0.82 -0.21 1.78 0.23 1.18 0.00 0.00 175.17 178.97 2h0d n MET 57 N -0.79 0.53 -1.54 8.23 2.81 -1.26 0.19 117.12 125.28 2h0d n MET 57 Ca -0.05 0.18 -0.52 0.00 -1.81 0.00 0.00 57.70 55.50 2h0d n MET 57 Cb 0.64 -1.81 -0.05 0.00 -0.71 0.00 0.00 33.22 31.28 2h0d n MET 57 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2h0d n LEU 58 N 5.50 0.88 -3.96 4.03 4.77 0.06 -4.76 117.00 123.53 2h0d n LEU 58 Ca 0.34 1.14 -0.19 0.00 -0.03 0.00 0.00 56.01 57.26 2h0d n LEU 58 Cb 0.04 -1.11 -0.15 0.00 -2.33 0.00 0.00 43.42 39.87 2h0d n LEU 58 CO 0.85 -1.57 -0.42 -1.59 -1.33 0.00 0.00 177.39 173.34 2h0d s LYS 59 N -0.14 0.80 -0.93 3.23 -2.85 -1.26 -4.84 119.74 113.75 2h0d s LYS 59 Ca 0.79 -0.22 -0.10 0.00 -1.00 0.00 0.00 55.97 55.44 2h0d s LYS 59 Cb -0.99 -0.77 0.01 0.00 -2.06 0.00 0.00 37.83 34.02 2h0d s LYS 59 CO 0.52 0.06 0.66 0.09 0.10 0.00 0.00 175.35 176.79 2h0d n ASN 60 N 3.42 -5.21 -4.68 0.03 3.02 -1.26 -2.95 115.26 107.63 2h0d n ASN 60 Ca -0.19 -0.91 -0.42 0.00 -0.03 0.00 0.00 54.58 53.02 2h0d n ASN 60 Cb 0.54 -2.44 -0.03 0.00 -0.61 0.00 0.00 39.78 37.25 2h0d n ASN 60 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2h0d s THR 61 N -3.16 3.15 -0.06 3.41 2.01 -1.26 -0.56 115.64 119.17 2h0d s THR 61 Ca 0.16 0.47 -0.04 0.00 0.31 0.00 0.00 61.69 62.60 2h0d s THR 61 Cb -0.08 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 2h0d s THR 61 CO 0.89 -0.02 0.15 -0.04 -0.69 0.00 0.00 174.62 174.91 2h0d s MET 62 N 3.19 3.39 -0.05 4.92 -1.94 0.94 -2.29 119.30 127.45 2h0d s MET 62 Ca 0.76 -0.26 0.03 0.00 -1.71 0.00 0.00 55.69 54.50 2h0d s MET 62 Cb -0.39 -3.10 0.01 0.00 2.01 0.00 0.00 34.83 33.36 2h0d s MET 62 CO 0.33 0.72 -0.14 0.99 -0.01 0.00 0.00 175.02 176.91 2h0d s THR 63 N -1.18 1.21 0.10 2.05 2.01 0.46 -1.43 115.64 118.86 2h0d s THR 63 Ca 0.22 -0.56 -0.31 0.00 0.31 0.00 0.00 61.69 61.35 2h0d s THR 63 Cb -0.12 -1.08 -0.08 0.00 0.01 0.00 0.00 72.50 71.23 2h0d s THR 63 CO 0.12 0.37 1.47 0.42 -0.69 0.00 0.00 174.62 176.31 2h0d s THR 64 N 0.40 3.16 0.12 -0.82 -4.23 -0.92 -0.12 115.64 113.22 2h0d s THR 64 Ca -0.10 0.78 -0.27 0.00 -1.18 0.00 0.00 61.69 60.92 2h0d s THR 64 Cb -0.14 -3.50 -0.07 0.00 1.34 0.00 0.00 72.50 70.14 2h0d s THR 64 CO 0.03 0.04 1.63 0.11 -0.54 0.00 0.00 174.62 175.90 2h0d h LYS 65 N 7.17 -0.43 -0.39 3.99 1.57 -1.56 -1.60 116.57 125.33 2h0d h LYS 65 Ca -0.42 0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.27 2h0d h LYS 65 Cb 1.20 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 2h0d h LYS 65 CO 0.89 -0.29 -0.24 0.93 -0.57 0.00 0.00 179.45 180.17 2h0d h GLU 66 N -0.44 0.78 0.00 3.15 4.39 -1.93 -3.36 114.58 117.17 2h0d h GLU 66 Ca 0.05 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.42 2h0d h GLU 66 Cb 0.50 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2h0d h GLU 66 CO -0.19 0.95 0.00 0.00 -1.16 0.00 0.00 179.01 178.60 2h0d n LEU 68 N -0.50 -3.58 -4.86 0.00 4.77 -0.60 -5.01 117.00 107.22 2h0d n LEU 68 Ca 0.00 -0.57 -0.37 0.00 -0.03 0.00 0.00 56.01 55.04 2h0d n LEU 68 Cb 0.02 -3.05 -0.06 0.00 -2.33 0.00 0.00 43.42 37.99 2h0d n LEU 68 CO 0.00 0.57 -0.18 -1.00 -1.33 0.00 0.00 177.39 175.44 2h0d s HIS 69 N -3.34 3.55 -0.09 -1.77 3.76 -1.26 -4.87 115.29 111.28 2h0d s HIS 69 Ca 0.40 0.49 0.00 0.00 -0.15 0.00 0.00 55.06 55.81 2h0d s HIS 69 Cb -0.18 -1.92 -0.03 0.00 1.11 0.00 0.00 32.58 31.56 2h0d s HIS 69 CO 0.73 0.71 -0.08 1.03 -0.85 0.00 0.00 174.74 176.28 2h0d s ARG 70 N -1.03 2.95 0.06 1.40 0.52 -1.26 -2.17 118.95 119.43 2h0d s ARG 70 Ca 0.15 -0.58 -0.02 0.00 -0.52 0.00 0.00 55.73 54.76 2h0d s ARG 70 Cb -0.12 -2.62 -0.04 0.00 0.52 0.00 0.00 34.95 32.69 2h0d s ARG 70 CO 0.04 0.53 0.00 -0.06 0.02 0.00 0.00 175.30 175.84 2h0d s PHE 71 N -0.46 0.50 0.39 -0.53 0.40 -0.52 -4.50 117.98 113.26 2h0d s PHE 71 Ca 0.07 -1.02 -0.27 0.00 -0.60 0.00 0.00 56.93 55.10 2h0d s PHE 71 Cb -0.12 -0.36 -0.09 0.00 0.51 0.00 0.00 43.02 42.96 2h0d s PHE 71 CO 0.02 -0.41 1.36 0.00 0.70 0.00 0.00 175.22 176.89 2h0d h ALA 73 N 2.81 0.03 -0.87 0.00 0.00 -0.72 -1.76 119.26 118.74 2h0d h ALA 73 Ca -0.50 0.15 0.14 0.00 0.00 0.00 0.00 54.91 54.70 2h0d h ALA 73 Cb 1.24 0.61 -0.15 0.00 0.00 0.00 0.00 17.79 19.49 2h0d h ALA 73 CO 0.63 -0.62 -0.36 0.22 0.00 0.00 0.00 179.25 179.13 2h0d h ASP 74 N -0.16 -1.30 0.33 0.00 3.58 -1.84 -2.11 116.42 114.91 2h0d h ASP 74 Ca 0.21 0.28 -0.21 0.00 0.42 0.00 0.00 57.03 57.74 2h0d h ASP 74 Cb 0.50 0.69 -0.00 0.00 1.72 0.00 0.00 39.33 42.23 2h0d h ASP 74 CO -0.56 -0.29 -0.85 0.00 -2.88 0.00 0.00 179.24 174.66 2h0d h ILE 76 N 0.24 1.40 -0.31 0.00 6.09 -1.16 -2.60 117.51 121.16 2h0d h ILE 76 Ca -0.06 -3.05 -0.01 0.00 -1.37 0.00 0.00 64.86 60.37 2h0d h ILE 76 Cb 1.46 2.81 -0.01 0.00 0.47 0.00 0.00 36.82 41.55 2h0d h ILE 76 CO 0.15 0.86 0.14 0.40 -3.07 0.00 0.00 178.15 176.62 2h0d h ILE 77 N 0.04 1.17 -0.56 2.19 1.08 -1.47 -1.92 117.51 118.04 2h0d h ILE 77 Ca -0.15 -0.48 0.06 0.00 -0.39 0.00 0.00 64.86 63.90 2h0d h ILE 77 Cb 1.93 0.91 -0.05 0.00 -3.07 0.00 0.00 36.82 36.53 2h0d h ILE 77 CO 0.16 0.17 0.27 0.74 -0.69 0.00 0.00 178.15 178.80 2h0d h THR 78 N 0.37 0.90 -0.65 -0.27 2.02 -1.55 0.57 112.91 114.30 2h0d h THR 78 Ca 0.11 -0.17 -0.08 0.00 0.77 0.00 0.00 66.41 67.03 2h0d h THR 78 Cb 0.14 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 2h0d h THR 78 CO -0.01 0.09 0.08 0.00 0.37 0.00 0.00 175.52 176.05 2h0d h ALA 79 N 1.33 0.87 -0.27 6.16 0.00 -1.33 -1.21 119.26 124.81 2h0d h ALA 79 Ca 0.26 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 2h0d h ALA 79 Cb 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2h0d h ALA 79 CO -0.20 0.66 -0.40 -0.07 0.00 0.00 0.00 179.25 179.23 2h0d h LEU 80 N 1.01 0.68 -1.45 0.00 3.38 -1.05 -3.04 115.31 114.85 2h0d h LEU 80 Ca 0.20 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2h0d h LEU 80 Cb 0.47 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2h0d h LEU 80 CO 0.02 1.00 -0.09 -0.09 0.09 0.00 0.00 178.44 179.36 2h0d h ARG 81 N 0.52 0.00 0.00 1.13 9.65 -0.42 -2.43 114.38 122.83 2h0d h ARG 81 Ca 0.04 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 2h0d h ARG 81 Cb 0.92 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.50 2h0d h ARG 81 CO 0.08 0.09 0.00 0.43 2.80 0.00 0.00 179.97 183.38 2h0d n SER 82 N -3.26 0.12 0.00 -3.80 7.64 -0.50 -4.87 113.62 108.95 2h0d n SER 82 Ca 0.00 0.53 0.00 0.00 1.01 0.00 0.00 58.87 60.41 2h0d n SER 82 Cb 0.33 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 2h0d n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2h0d n GLY 83 N -0.31 0.52 3.59 0.23 0.00 -0.91 -5.04 105.19 103.26 2h0d n GLY 83 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 2h0d n GLY 83 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2h0d s ASN 84 N -2.37 6.61 0.00 1.61 2.47 -1.25 -4.93 114.94 117.09 2h0d s ASN 84 Ca 0.00 0.39 0.28 0.00 0.42 0.00 0.00 52.86 53.95 2h0d s ASN 84 Cb 0.00 -2.49 1.10 0.00 -1.45 0.00 0.00 41.25 38.40 2h0d s ASN 84 CO 0.00 -1.07 1.77 0.29 -3.72 0.00 0.00 177.10 174.37 2h0d n LYS 85 N 7.31 1.28 -2.38 0.43 4.01 -1.26 -4.33 118.16 123.22 2h0d n LYS 85 Ca 0.09 -0.66 -0.32 0.00 -0.51 0.00 0.00 58.31 56.91 2h0d n LYS 85 Cb 0.48 -1.49 -0.03 0.00 -0.51 0.00 0.00 35.03 33.49 2h0d n LYS 85 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 2h0d s GLU 86 N -2.17 3.85 0.01 1.97 -1.05 -1.26 0.56 118.70 120.60 2h0d s GLU 86 Ca 0.35 0.83 -0.30 0.00 -0.15 0.00 0.00 54.97 55.69 2h0d s GLU 86 Cb 0.21 -2.17 -0.04 0.00 -0.44 0.00 0.00 34.13 31.69 2h0d s GLU 86 CO 0.40 -0.29 1.12 0.00 0.95 0.00 0.00 175.26 177.44 2h0d h PRO 88 N 6.95 0.00 0.00 0.00 0.11 -1.96 0.65 132.00 137.75 2h0d h PRO 88 Ca -0.39 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.69 2h0d h PRO 88 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2h0d h PRO 88 CO 0.81 0.02 -0.40 1.15 -0.21 0.00 0.00 178.00 179.37 2h0d h THR 89 N 0.00 0.30 -0.01 -1.15 2.02 -1.98 -3.43 112.91 108.66 2h0d h THR 89 Ca -0.00 -1.29 0.00 0.00 0.77 0.00 0.00 66.41 65.89 2h0d h THR 89 Cb 0.06 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 2h0d h THR 89 CO 0.00 0.10 -0.02 0.00 0.37 0.00 0.00 175.52 175.97 2h0d n ARG 91 N 0.46 -1.35 -2.79 0.00 0.63 0.23 -4.91 116.66 108.92 2h0d n ARG 91 Ca 0.06 0.58 -0.38 0.00 -0.92 0.00 0.00 57.85 57.19 2h0d n ARG 91 Cb 0.24 -4.71 -0.06 0.00 0.45 0.00 0.00 32.46 28.38 2h0d n ARG 91 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2h0d s LYS 92 N -2.06 4.67 0.75 -0.14 2.47 -1.26 -4.38 119.74 119.80 2h0d s LYS 92 Ca 0.00 1.36 -0.15 0.00 -1.56 0.00 0.00 55.97 55.62 2h0d s LYS 92 Cb 0.00 -2.99 0.03 0.00 -1.46 0.00 0.00 37.83 33.42 2h0d s LYS 92 CO 0.00 0.38 1.05 0.36 0.16 0.00 0.00 175.35 177.29 2h0d n LYS 93 N 0.93 0.41 -3.81 4.03 -0.00 -1.26 -0.74 118.16 117.72 2h0d n LYS 93 Ca 0.00 0.20 -0.18 0.00 -0.00 0.00 0.00 58.31 58.34 2h0d n LYS 93 Cb 0.49 -2.30 -0.17 0.00 -0.00 0.00 0.00 35.03 33.05 2h0d n LYS 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2h0d s LEU 94 N -3.97 0.86 0.05 -5.58 1.43 0.19 -4.76 118.68 106.90 2h0d s LEU 94 Ca 0.73 0.01 -0.20 0.00 -1.03 0.00 0.00 54.13 53.64 2h0d s LEU 94 Cb -0.32 -0.18 -0.14 0.00 0.03 0.00 0.00 46.19 45.58 2h0d s LEU 94 CO 0.50 -0.15 1.37 1.62 0.23 0.00 0.00 176.35 179.92 2h0d h VAL 95 N 6.31 1.33 -0.93 -1.59 3.04 -1.97 -3.44 116.25 119.00 2h0d h VAL 95 Ca -0.35 -1.25 0.00 0.00 -1.01 0.00 0.00 66.70 64.09 2h0d h VAL 95 Cb 1.13 1.81 0.00 0.00 -2.01 0.00 0.00 31.29 32.21 2h0d h VAL 95 CO 0.39 0.37 0.00 -1.54 -1.01 0.00 0.00 177.57 175.78 2h0d n SER 96 N -4.56 0.00 -0.16 3.17 3.41 -1.26 -5.03 113.62 109.19 2h0d n SER 96 Ca -0.06 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.68 2h0d n SER 96 Cb 0.35 0.00 0.38 0.00 -0.26 0.00 0.00 64.21 64.68 2h0d n SER 96 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2h0d n LYS 97 N 0.00 0.59 0.05 4.33 5.02 -1.26 -2.54 118.16 124.35 2h0d n LYS 97 Ca 0.00 -0.33 0.12 0.00 -2.02 0.00 0.00 58.31 56.08 2h0d n LYS 97 Cb 0.00 -1.49 0.47 0.00 -0.02 0.00 0.00 35.03 33.99 2h0d n LYS 97 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2h0d n ARG 98 N -0.92 0.11 -0.01 1.97 3.00 -1.26 -3.07 116.66 116.48 2h0d n ARG 98 Ca 0.11 0.19 0.14 0.00 -0.00 0.00 0.00 57.85 58.28 2h0d n ARG 98 Cb 0.34 -1.66 0.65 0.00 0.00 0.00 0.00 32.46 31.78 2h0d n ARG 98 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2h0d n SER 99 N -1.86 0.88 -4.11 6.15 7.64 -1.05 -4.84 113.62 116.43 2h0d n SER 99 Ca 0.05 -1.36 -0.15 0.00 1.01 0.00 0.00 58.87 58.42 2h0d n SER 99 Cb 0.31 -0.01 -0.12 0.00 -1.01 0.00 0.00 64.21 63.38 2h0d n SER 99 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2h0d s LEU 100 N -1.90 2.26 0.01 -3.43 0.05 -1.17 -1.33 118.68 113.17 2h0d s LEU 100 Ca 0.39 -0.56 0.07 0.00 0.05 0.00 0.00 54.13 54.08 2h0d s LEU 100 Cb 0.20 -0.33 -0.02 0.00 -2.05 0.00 0.00 46.19 43.99 2h0d s LEU 100 CO 0.32 -0.14 -0.23 -0.13 -0.55 0.00 0.00 176.35 175.63 2h0d s ARG 101 N -1.60 1.68 0.45 1.48 3.00 0.83 -4.91 118.95 119.88 2h0d s ARG 101 Ca -0.06 -0.90 -0.23 0.00 0.00 0.00 0.00 55.73 54.54 2h0d s ARG 101 Cb -0.10 -1.72 -0.08 0.00 0.00 0.00 0.00 34.95 33.05 2h0d s ARG 101 CO 0.01 0.46 1.11 -1.25 0.00 0.00 0.00 175.30 175.63 2h0d s PRO 102 N -0.86 3.86 -0.28 3.54 0.04 -1.26 -0.40 135.00 139.64 2h0d s PRO 102 Ca 0.09 1.64 -0.00 0.00 0.04 0.00 0.00 61.00 62.77 2h0d s PRO 102 Cb -0.09 -2.40 0.09 0.00 0.04 0.00 0.00 34.50 32.14 2h0d s PRO 102 CO 0.00 -0.43 0.05 0.16 0.04 0.00 0.00 177.00 176.83 2h0d s ASP 103 N -1.51 3.94 0.41 6.66 -4.77 -0.97 -4.89 116.67 115.54 2h0d s ASP 103 Ca 0.63 -1.50 0.28 0.00 -3.30 0.00 0.00 52.55 48.66 2h0d s ASP 103 Cb -0.25 -1.00 1.47 0.00 -1.09 0.00 0.00 42.92 42.06 2h0d s ASP 103 CO 0.31 -0.36 1.85 1.55 0.70 0.00 0.00 175.17 179.22 2h0d h PRO 104 N 8.02 0.00 0.04 2.11 0.13 -1.96 -3.13 132.00 137.20 2h0d h PRO 104 Ca -0.13 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.99 2h0d h PRO 104 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2h0d h PRO 104 CO 0.45 0.00 -0.02 -0.97 -0.23 0.00 0.00 178.00 177.23 2h0d h ASN 105 N 0.00 -0.04 -0.43 1.44 -1.24 -1.98 -1.28 115.58 112.04 2h0d h ASN 105 Ca 0.00 -0.44 -0.01 0.00 0.71 0.00 0.00 56.30 56.56 2h0d h ASN 105 Cb 0.06 0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.10 2h0d h ASN 105 CO 0.00 0.43 0.23 -0.26 -1.29 0.00 0.00 177.43 176.54 2h0d h PHE 106 N -0.53 0.60 -0.21 0.67 -1.00 -1.97 -1.45 116.94 113.06 2h0d h PHE 106 Ca -0.01 -0.02 0.06 0.00 2.81 0.00 0.00 57.97 60.81 2h0d h PHE 106 Cb 0.48 -0.19 -0.07 0.00 3.61 0.00 0.00 35.95 39.78 2h0d h PHE 106 CO 0.08 0.46 -0.26 -0.44 -1.61 0.00 0.00 178.31 176.55 2h0d h ASP 107 N 0.56 -0.82 0.06 2.17 3.32 -1.57 -0.52 116.42 119.62 2h0d h ASP 107 Ca 0.15 0.14 -0.06 0.00 0.02 0.00 0.00 57.03 57.28 2h0d h ASP 107 Cb 0.07 0.38 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 2h0d h ASP 107 CO -0.02 -0.30 -0.18 0.00 -1.72 0.00 0.00 179.24 177.02 2h0d h ALA 108 N 0.69 1.43 -0.18 3.45 0.00 -1.13 0.29 119.26 123.82 2h0d h ALA 108 Ca 0.12 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2h0d h ALA 108 Cb 0.48 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2h0d h ALA 108 CO -0.37 0.40 0.03 1.25 0.00 0.00 0.00 179.25 180.55 2h0d h LEU 109 N 0.22 0.28 -0.56 0.00 6.46 -0.73 -3.04 115.31 117.94 2h0d h LEU 109 Ca 0.04 -0.26 -0.12 0.00 -0.12 0.00 0.00 57.88 57.42 2h0d h LEU 109 Cb 0.46 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.30 2h0d h LEU 109 CO 0.03 0.47 -0.18 0.40 -0.62 0.00 0.00 178.44 178.55 2h0d h ILE 110 N 0.08 1.27 0.00 4.05 2.04 -0.71 -2.59 117.51 121.65 2h0d h ILE 110 Ca 0.05 -1.33 -0.00 0.00 1.00 0.00 0.00 64.86 64.58 2h0d h ILE 110 Cb 0.31 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 2h0d h ILE 110 CO 0.00 0.46 -0.00 0.77 0.00 0.00 0.00 178.15 179.38 2h0d h SER 111 N 0.85 0.00 0.20 1.72 4.64 -0.95 0.10 113.55 120.12 2h0d h SER 111 Ca 0.12 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.09 2h0d h SER 111 Cb 0.74 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.80 2h0d h SER 111 CO 0.06 0.00 -1.95 0.29 -0.87 0.00 0.00 176.83 174.36 2h0d n LYS 112 N -3.09 0.73 -0.06 4.77 5.02 -1.00 -4.65 118.16 119.87 2h0d n LYS 112 Ca -0.02 0.26 -0.04 0.00 -2.02 0.00 0.00 58.31 56.49 2h0d n LYS 112 Cb 0.11 -1.72 -0.02 0.00 -0.02 0.00 0.00 35.03 33.37 2h0d n LYS 112 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2h0d h ILE 113 N 0.05 0.22 0.00 -0.18 2.04 -1.15 -3.52 117.51 114.98 2h0d h ILE 113 Ca -0.40 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.27 2h0d h ILE 113 Cb 2.03 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 2h0d h ILE 113 CO 0.08 0.08 0.00 -1.22 0.00 0.00 0.00 178.15 177.09