#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rgi n SER 2 N 0.00 3.18 -4.80 6.12 7.64 -1.26 -5.00 113.62 119.49 2rgi n SER 2 Ca 0.00 1.09 -0.31 0.00 1.01 0.00 0.00 58.87 60.66 2rgi n SER 2 Cb 0.00 -1.45 0.05 0.00 -1.01 0.00 0.00 64.21 61.80 2rgi n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2rgi s SER 3 N 0.86 5.27 0.26 6.43 1.04 -1.26 -4.84 113.70 121.46 2rgi s SER 3 Ca 0.77 1.71 -0.02 0.00 0.48 0.00 0.00 55.95 58.89 2rgi s SER 3 Cb -0.65 -2.51 0.48 0.00 0.10 0.00 0.00 66.02 63.44 2rgi s SER 3 CO 0.39 -1.52 1.82 0.77 0.98 0.00 0.00 173.24 175.68 2rgi h SER 4 N -0.56 0.78 0.20 7.02 4.64 -1.99 -0.43 113.55 123.21 2rgi h SER 4 Ca -0.44 0.05 -0.17 0.00 -0.47 0.00 0.00 61.79 60.76 2rgi h SER 4 Cb 1.22 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 2rgi h SER 4 CO 0.56 0.42 -0.66 0.25 -0.87 0.00 0.00 176.83 176.53 2rgi h LEU 5 N 0.87 0.50 -0.71 5.97 5.85 -1.99 -1.49 115.31 124.31 2rgi h LEU 5 Ca 0.45 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2rgi h LEU 5 Cb 0.44 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 2rgi h LEU 5 CO -0.26 1.02 0.42 -0.33 -0.34 0.00 0.00 178.44 178.94 2rgi h GLU 6 N 0.31 0.96 -0.52 1.25 5.08 -1.74 -0.47 114.58 119.45 2rgi h GLU 6 Ca -0.02 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 2rgi h GLU 6 Cb 1.22 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 2rgi h GLU 6 CO 0.12 0.69 0.11 1.96 -1.00 0.00 0.00 179.01 180.89 2rgi h GLN 7 N 0.96 0.80 -0.26 2.33 4.20 -0.91 -1.24 115.11 120.99 2rgi h GLN 7 Ca 0.25 -0.16 -0.08 0.00 0.06 0.00 0.00 58.65 58.72 2rgi h GLN 7 Cb -0.01 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 2rgi h GLN 7 CO -0.05 0.73 -0.13 0.00 -0.67 0.00 0.00 178.83 178.71 2rgi h ALA 8 N 1.36 0.37 -0.35 3.87 0.00 -0.68 -2.36 119.26 121.46 2rgi h ALA 8 Ca 0.17 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2rgi h ALA 8 Cb 0.30 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2rgi h ALA 8 CO 0.00 0.24 0.03 -0.07 0.00 0.00 0.00 179.25 179.46 2rgi h LEU 9 N 0.28 0.49 -0.97 0.00 3.38 -0.93 -1.40 115.31 116.16 2rgi h LEU 9 Ca 0.06 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2rgi h LEU 9 Cb 0.65 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 2rgi h LEU 9 CO 0.04 0.54 0.64 0.00 0.09 0.00 0.00 178.44 179.75 2rgi h ALA 10 N 1.53 1.23 -0.24 1.53 0.00 -0.96 -1.59 119.26 120.76 2rgi h ALA 10 Ca 0.11 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 2rgi h ALA 10 Cb 0.28 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2rgi h ALA 10 CO 0.01 0.61 -0.57 0.28 0.00 0.00 0.00 179.25 179.58 2rgi h VAL 11 N 1.31 1.29 -0.93 0.00 2.07 -0.93 -0.81 116.25 118.25 2rgi h VAL 11 Ca 0.36 -1.78 0.11 0.00 0.82 0.00 0.00 66.70 66.20 2rgi h VAL 11 Cb -0.14 1.72 -0.07 0.00 -1.52 0.00 0.00 31.29 31.27 2rgi h VAL 11 CO -0.08 0.57 0.60 -0.07 0.02 0.00 0.00 177.57 178.61 2rgi h LEU 12 N 0.57 0.82 -0.05 2.57 4.07 -0.63 -0.91 115.31 121.75 2rgi h LEU 12 Ca 0.01 0.03 -0.03 0.00 0.08 0.00 0.00 57.88 57.97 2rgi h LEU 12 Cb 1.16 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.76 2rgi h LEU 12 CO 0.12 0.46 -0.10 0.58 -1.08 0.00 0.00 178.44 178.42 2rgi h VAL 13 N 0.89 1.42 -0.28 1.22 2.07 -0.76 -1.92 116.25 118.89 2rgi h VAL 13 Ca 0.45 -1.41 -0.06 0.00 0.82 0.00 0.00 66.70 66.49 2rgi h VAL 13 Cb 0.49 2.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.49 2rgi h VAL 13 CO -0.21 0.39 -0.10 0.71 0.02 0.00 0.00 177.57 178.38 2rgi h THR 14 N -0.35 1.22 -0.59 2.57 1.35 -1.01 -1.34 112.91 114.75 2rgi h THR 14 Ca 0.00 -0.94 -0.10 0.00 -0.55 0.00 0.00 66.41 64.83 2rgi h THR 14 Cb 0.68 1.11 -0.02 0.00 -1.73 0.00 0.00 68.15 68.19 2rgi h THR 14 CO 0.02 0.31 -0.02 0.74 -0.25 0.00 0.00 175.52 176.32 2rgi h THR 15 N 0.44 1.27 0.20 6.82 2.02 -1.15 0.08 112.91 122.58 2rgi h THR 15 Ca 0.09 -1.17 0.01 0.00 0.77 0.00 0.00 66.41 66.10 2rgi h THR 15 Cb 0.44 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 2rgi h THR 15 CO 0.02 0.42 -0.23 0.15 0.37 0.00 0.00 175.52 176.26 2rgi h PHE 16 N 0.95 -0.60 -0.28 3.16 3.57 -1.01 -2.91 116.94 119.84 2rgi h PHE 16 Ca 0.17 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 2rgi h PHE 16 Cb 0.58 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 2rgi h PHE 16 CO 0.04 -0.33 0.02 1.25 -2.23 0.00 0.00 178.31 177.06 2rgi h HIS 17 N -0.47 0.41 -0.99 0.41 2.76 -1.03 0.27 115.15 116.51 2rgi h HIS 17 Ca 0.00 -0.03 0.22 0.00 -2.20 0.00 0.00 60.37 58.37 2rgi h HIS 17 Cb 0.45 -0.12 -0.09 0.00 1.55 0.00 0.00 27.41 29.20 2rgi h HIS 17 CO -0.17 0.41 0.63 -0.22 -1.30 0.00 0.00 177.93 177.27 2rgi h LYS 18 N 0.40 0.52 0.05 5.26 3.64 -0.77 0.16 116.57 125.83 2rgi h LYS 18 Ca 0.09 -0.03 -0.37 0.00 -1.27 0.00 0.00 60.65 59.07 2rgi h LYS 18 Cb 0.24 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 2rgi h LYS 18 CO 0.00 0.34 -2.16 0.66 -2.27 0.00 0.00 179.45 176.03 2rgi n TYR 19 N -4.65 0.63 0.27 1.91 4.02 -0.70 -4.38 117.16 114.26 2rgi n TYR 19 Ca 0.23 0.16 0.14 0.00 -0.01 0.00 0.00 57.90 58.42 2rgi n TYR 19 Cb 0.71 -1.08 0.77 0.00 -0.02 0.00 0.00 39.34 39.73 2rgi n TYR 19 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2rgi h SER 20 N -0.20 0.00 0.82 7.72 4.64 -0.26 -2.40 113.55 123.86 2rgi h SER 20 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 2rgi h SER 20 Cb 1.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.94 2rgi h SER 20 CO -0.07 0.09 0.00 -1.54 -0.87 0.00 0.00 176.83 174.44 2rgi n SER 21 N -3.56 0.11 0.10 4.97 3.41 0.02 -3.76 113.62 114.91 2rgi n SER 21 Ca -0.02 0.52 0.01 0.00 -0.26 0.00 0.00 58.87 59.12 2rgi n SER 21 Cb 0.22 -0.54 -0.02 0.00 -0.26 0.00 0.00 64.21 63.60 2rgi n SER 21 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2rgi h GLN 22 N 0.00 0.00 -3.08 4.33 1.08 -1.67 -3.46 115.11 112.31 2rgi h GLN 22 Ca 0.00 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.06 2rgi h GLN 22 Cb 0.41 0.00 -0.23 0.00 -0.05 0.00 0.00 27.48 27.61 2rgi h GLN 22 CO 0.00 0.46 -0.35 -1.21 -0.95 0.00 0.00 178.83 176.78 2rgi s GLU 23 N -2.93 0.48 6.44 1.46 0.41 -1.25 -5.12 118.70 118.18 2rgi s GLU 23 Ca 0.01 0.10 0.00 0.00 -0.41 0.00 0.00 54.97 54.67 2rgi s GLU 23 Cb 0.08 0.22 0.00 0.00 -1.78 0.00 0.00 34.13 32.65 2rgi s GLU 23 CO 0.77 -0.10 0.00 0.41 -0.49 0.00 0.00 175.26 175.85 2rgi n GLY 24 N 2.16 3.00 3.71 -1.39 0.00 -1.26 -4.58 105.19 106.83 2rgi n GLY 24 Ca -0.17 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 2rgi n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2rgi s ASP 25 N -4.00 6.91 0.00 1.61 -1.08 -1.26 -4.92 116.67 113.92 2rgi s ASP 25 Ca 0.00 2.18 0.15 0.00 -0.52 0.00 0.00 52.55 54.36 2rgi s ASP 25 Cb 0.00 -2.58 0.71 0.00 -1.46 0.00 0.00 42.92 39.59 2rgi s ASP 25 CO 0.00 -0.61 1.47 2.29 0.52 0.00 0.00 175.17 178.84 2rgi n LYS 26 N 4.31 0.09 -0.56 4.34 2.85 -1.26 -2.28 118.16 125.65 2rgi n LYS 26 Ca 0.11 0.20 0.09 0.00 -1.05 0.00 0.00 58.31 57.66 2rgi n LYS 26 Cb 0.44 -1.50 0.34 0.00 -0.65 0.00 0.00 35.03 33.66 2rgi n LYS 26 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2rgi n PHE 27 N -1.41 1.36 -4.01 5.58 3.01 -1.26 -4.54 117.46 116.18 2rgi n PHE 27 Ca 0.05 -0.61 -0.11 0.00 1.01 0.00 0.00 57.45 57.80 2rgi n PHE 27 Cb 0.16 -0.21 -0.11 0.00 -0.01 0.00 0.00 39.48 39.30 2rgi n PHE 27 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2rgi s LYS 28 N -1.78 0.39 0.06 -1.08 -0.14 -0.97 -4.21 119.74 112.02 2rgi s LYS 28 Ca 0.49 -0.67 0.01 0.00 -1.36 0.00 0.00 55.97 54.44 2rgi s LYS 28 Cb 0.31 -0.05 -0.03 0.00 -1.68 0.00 0.00 37.83 36.38 2rgi s LYS 28 CO 0.24 -0.01 -0.05 -0.48 -0.76 0.00 0.00 175.35 174.29 2rgi s LEU 29 N -1.51 2.41 0.56 3.17 2.34 -0.50 -4.46 118.68 120.70 2rgi s LEU 29 Ca -0.14 -0.83 -0.11 0.00 0.06 0.00 0.00 54.13 53.11 2rgi s LEU 29 Cb -0.10 -0.00 -0.05 0.00 -0.56 0.00 0.00 46.19 45.48 2rgi s LEU 29 CO -0.00 -0.42 0.96 -0.94 -1.06 0.00 0.00 176.35 174.89 2rgi s SER 30 N -2.47 6.32 0.45 1.48 1.04 -1.26 0.68 113.70 119.94 2rgi s SER 30 Ca 0.02 1.34 0.12 0.00 0.48 0.00 0.00 55.95 57.91 2rgi s SER 30 Cb 0.00 -2.43 1.04 0.00 0.10 0.00 0.00 66.02 64.74 2rgi s SER 30 CO -0.04 -0.74 2.06 0.11 0.98 0.00 0.00 173.24 175.61 2rgi h LYS 31 N 0.10 0.33 -0.68 4.02 1.57 -0.55 0.11 116.57 121.46 2rgi h LYS 31 Ca -0.45 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.24 2rgi h LYS 31 Cb 1.19 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.40 2rgi h LYS 31 CO 0.62 0.22 0.17 0.78 -0.57 0.00 0.00 179.45 180.67 2rgi h GLY 32 N 0.34 1.17 1.47 3.86 0.00 -1.29 -1.25 103.07 107.37 2rgi h GLY 32 Ca 0.14 -0.73 -0.08 0.00 0.00 0.00 0.00 47.33 46.66 2rgi h GLY 32 CO -0.03 0.68 -0.12 0.83 0.00 0.00 0.00 176.54 177.90 2rgi h GLU 33 N 1.02 0.63 -0.37 4.80 5.08 -1.51 -2.20 114.58 122.03 2rgi h GLU 33 Ca 0.21 -0.20 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 2rgi h GLU 33 Cb 0.36 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2rgi h GLU 33 CO 0.00 0.74 -0.22 1.98 -1.00 0.00 0.00 179.01 180.51 2rgi h MET 34 N 0.58 0.73 -0.43 2.33 4.05 -0.63 0.05 114.93 121.61 2rgi h MET 34 Ca 0.10 -0.29 -0.01 0.00 -0.28 0.00 0.00 59.70 59.22 2rgi h MET 34 Cb 0.54 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.29 2rgi h MET 34 CO 0.03 0.89 0.22 -0.22 0.23 0.00 0.00 176.91 178.06 2rgi h LYS 35 N 0.63 0.61 -0.55 0.39 3.64 -1.08 -0.62 116.57 119.60 2rgi h LYS 35 Ca 0.09 -0.08 0.08 0.00 -1.27 0.00 0.00 60.65 59.47 2rgi h LYS 35 Cb 0.72 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.36 2rgi h LYS 35 CO 0.06 0.51 0.20 1.49 -2.27 0.00 0.00 179.45 179.44 2rgi h GLU 36 N 0.56 0.37 -0.32 1.90 4.81 -0.99 -0.94 114.58 119.97 2rgi h GLU 36 Ca 0.15 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2rgi h GLU 36 Cb 0.09 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 2rgi h GLU 36 CO -0.02 0.25 0.21 1.25 -0.73 0.00 0.00 179.01 179.97 2rgi h LEU 37 N 0.38 0.37 -0.19 1.64 6.46 -0.58 -0.89 115.31 122.50 2rgi h LEU 37 Ca 0.27 -0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.99 2rgi h LEU 37 Cb 0.30 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 2rgi h LEU 37 CO -0.27 0.27 0.01 -0.07 -0.62 0.00 0.00 178.44 177.76 2rgi h LEU 38 N 0.44 0.32 -0.42 2.25 3.38 -0.80 0.29 115.31 120.76 2rgi h LEU 38 Ca 0.12 -0.30 0.07 0.00 0.09 0.00 0.00 57.88 57.86 2rgi h LEU 38 Cb -0.05 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.53 2rgi h LEU 38 CO -0.03 0.54 -0.46 0.45 0.09 0.00 0.00 178.44 179.04 2rgi h HIS 39 N 0.09 -1.35 0.09 1.13 3.86 -1.07 -3.04 115.15 114.87 2rgi h HIS 39 Ca 0.05 0.07 -0.26 0.00 -1.16 0.00 0.00 60.37 59.08 2rgi h HIS 39 Cb 0.37 0.65 -0.01 0.00 1.06 0.00 0.00 27.41 29.48 2rgi h HIS 39 CO 0.03 -0.45 -1.17 0.87 0.86 0.00 0.00 177.93 178.07 2rgi h LYS 40 N -0.33 0.19 -0.01 2.45 1.57 -0.68 -3.36 116.57 116.39 2rgi h LYS 40 Ca 0.13 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 2rgi h LYS 40 Cb 0.59 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2rgi h LYS 40 CO -0.59 1.15 -0.65 0.39 -0.57 0.00 0.00 179.45 179.18 2rgi n GLU 41 N -3.47 0.75 -4.32 3.15 -0.58 0.96 -4.96 120.64 112.16 2rgi n GLU 41 Ca -0.06 -0.61 -0.17 0.00 -0.42 0.00 0.00 57.16 55.90 2rgi n GLU 41 Cb 1.00 -1.49 -0.10 0.00 -0.57 0.00 0.00 31.44 30.28 2rgi n GLU 41 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2rgi s LEU 42 N -2.67 2.54 1.14 -4.62 1.43 -1.15 -5.04 118.68 110.31 2rgi s LEU 42 Ca 0.15 -1.03 -0.18 0.00 -1.03 0.00 0.00 54.13 52.04 2rgi s LEU 42 Cb 0.17 -0.58 0.26 0.00 0.03 0.00 0.00 46.19 46.08 2rgi s LEU 42 CO 0.68 -0.23 1.13 -2.16 0.23 0.00 0.00 176.35 176.00 2rgi s PRO 43 N -3.68 -0.76 0.31 1.29 0.04 -1.26 -4.84 135.00 126.10 2rgi s PRO 43 Ca 0.21 -0.02 -0.29 0.00 0.04 0.00 0.00 61.00 60.94 2rgi s PRO 43 Cb 0.00 -1.65 -0.12 0.00 0.04 0.00 0.00 34.50 32.78 2rgi s PRO 43 CO 0.05 -3.42 1.41 0.45 0.04 0.00 0.00 177.00 175.54 2rgi n SER 44 N -4.56 3.14 -1.76 6.66 2.88 -1.26 -4.92 113.62 113.81 2rgi n SER 44 Ca 0.12 1.18 -0.12 0.00 -1.33 0.00 0.00 58.87 58.72 2rgi n SER 44 Cb 0.59 -1.51 0.15 0.00 -0.75 0.00 0.00 64.21 62.69 2rgi n SER 44 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2rgi n PHE 45 N 1.14 1.96 -4.95 0.66 3.72 -1.26 -4.90 117.46 113.83 2rgi n PHE 45 Ca 0.07 -1.24 -0.26 0.00 -0.05 0.00 0.00 57.45 55.97 2rgi n PHE 45 Cb 0.35 -0.66 -0.15 0.00 -0.94 0.00 0.00 39.48 38.08 2rgi n PHE 45 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 2rgi s VAL 46 N -2.23 1.54 0.00 -4.37 -7.23 -1.26 -4.53 120.40 102.32 2rgi s VAL 46 Ca 0.38 -0.84 0.00 0.00 -1.81 0.00 0.00 61.98 59.71 2rgi s VAL 46 Cb 0.32 -1.28 0.00 0.00 0.56 0.00 0.00 36.38 35.98 2rgi s VAL 46 CO 0.08 0.43 0.00 0.61 -0.31 0.00 0.00 175.10 175.91 2rgi n GLY 47 N 2.59 1.37 0.26 2.32 0.00 -1.26 -4.91 105.19 105.55 2rgi n GLY 47 Ca -0.15 -2.16 0.13 0.00 0.00 0.00 0.00 46.02 43.84 2rgi n GLY 47 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2rgi n GLU 48 N -1.34 0.84 -0.18 1.61 -0.58 -1.26 -3.39 120.64 116.34 2rgi n GLU 48 Ca 0.00 -0.52 0.11 0.00 -0.42 0.00 0.00 57.16 56.33 2rgi n GLU 48 Cb 0.00 -1.49 0.25 0.00 -0.57 0.00 0.00 31.44 29.64 2rgi n GLU 48 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2rgi n LYS 49 N -0.62 2.34 -4.22 3.49 5.02 -1.26 -4.91 118.16 117.99 2rgi n LYS 49 Ca 0.11 -2.03 -0.13 0.00 -2.02 0.00 0.00 58.31 54.24 2rgi n LYS 49 Cb 0.36 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.78 2rgi n LYS 49 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2rgi s VAL 50 N -1.52 1.03 -1.26 -0.18 -7.23 -1.22 -4.63 120.40 105.39 2rgi s VAL 50 Ca 0.38 -1.97 -0.19 0.00 -1.81 0.00 0.00 61.98 58.39 2rgi s VAL 50 Cb 0.21 -1.74 0.02 0.00 0.56 0.00 0.00 36.38 35.43 2rgi s VAL 50 CO 0.30 -0.74 1.85 -0.67 -0.31 0.00 0.00 175.10 175.52 2rgi n ASP 51 N -0.05 4.25 -0.22 4.85 -0.08 0.14 -4.77 116.55 120.68 2rgi n ASP 51 Ca -0.12 -2.84 -0.00 0.00 -1.51 0.00 0.00 54.79 50.32 2rgi n ASP 51 Cb 0.60 -1.71 0.11 0.00 2.34 0.00 0.00 41.12 42.46 2rgi n ASP 51 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2rgi h GLU 52 N 7.98 0.49 -0.17 -0.67 4.81 -1.80 -1.49 114.58 123.73 2rgi h GLU 52 Ca 0.40 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.60 2rgi h GLU 52 Cb 0.86 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 2rgi h GLU 52 CO 1.46 0.32 0.09 1.49 -0.73 0.00 0.00 179.01 181.65 2rgi h GLU 53 N 0.50 0.24 -0.87 1.92 4.57 -1.89 -0.35 114.58 118.70 2rgi h GLU 53 Ca 0.31 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.44 2rgi h GLU 53 Cb 0.34 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.84 2rgi h GLU 53 CO -0.27 0.24 0.46 0.78 -1.18 0.00 0.00 179.01 179.04 2rgi h GLY 54 N 0.18 1.32 0.82 1.92 0.00 -1.90 -1.69 103.07 103.71 2rgi h GLY 54 Ca 0.06 -0.61 -0.07 0.00 0.00 0.00 0.00 47.33 46.71 2rgi h GLY 54 CO -0.01 0.59 -0.14 1.41 0.00 0.00 0.00 176.54 178.39 2rgi h LEU 55 N 1.23 0.48 -0.50 3.11 3.38 -1.08 -0.81 115.31 121.12 2rgi h LEU 55 Ca 0.31 -0.44 0.10 0.00 0.09 0.00 0.00 57.88 57.94 2rgi h LEU 55 Cb 0.05 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 40.58 2rgi h LEU 55 CO -0.05 0.82 -0.05 0.50 0.09 0.00 0.00 178.44 179.75 2rgi h LYS 56 N 0.15 0.06 -0.17 1.13 3.64 -0.91 -0.26 116.57 120.22 2rgi h LYS 56 Ca 0.04 -0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.26 2rgi h LYS 56 Cb 0.66 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 2rgi h LYS 56 CO 0.04 0.04 -0.56 0.87 -2.27 0.00 0.00 179.45 177.57 2rgi h LYS 57 N 0.06 0.52 -0.21 1.90 1.79 -1.28 0.07 116.57 119.42 2rgi h LYS 57 Ca 0.25 -0.33 -0.02 0.00 -2.18 0.00 0.00 60.65 58.37 2rgi h LYS 57 Cb 0.38 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 2rgi h LYS 57 CO -0.46 0.94 0.06 1.25 -1.08 0.00 0.00 179.45 180.15 2rgi h LEU 58 N 0.40 0.31 -0.76 2.94 6.46 -0.65 -0.69 115.31 123.31 2rgi h LEU 58 Ca 0.01 -0.22 -0.01 0.00 -0.12 0.00 0.00 57.88 57.54 2rgi h LEU 58 Cb 1.10 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.91 2rgi h LEU 58 CO 0.10 0.45 0.44 0.24 -0.62 0.00 0.00 178.44 179.05 2rgi h MET 59 N 0.15 1.04 -0.66 1.25 2.86 -0.93 -1.98 114.93 116.67 2rgi h MET 59 Ca 0.07 -0.10 0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2rgi h MET 59 Cb 0.26 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 2rgi h MET 59 CO -0.00 0.75 0.43 0.78 1.06 0.00 0.00 176.91 179.93 2rgi h GLY 60 N 1.04 0.91 2.00 8.32 0.00 -0.74 -2.32 103.07 112.28 2rgi h GLY 60 Ca 0.27 -0.33 -0.08 0.00 0.00 0.00 0.00 47.33 47.19 2rgi h GLY 60 CO -0.05 0.31 -0.38 1.48 0.00 0.00 0.00 176.54 177.91 2rgi h SER 61 N 0.85 0.00 -0.55 0.19 4.64 -0.39 -1.92 113.55 116.37 2rgi h SER 61 Ca 0.25 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.49 2rgi h SER 61 Cb -0.04 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 2rgi h SER 61 CO -0.06 0.38 0.04 -0.07 -0.87 0.00 0.00 176.83 176.25 2rgi h LEU 62 N 0.00 0.92 -0.28 5.97 3.38 -0.95 -2.52 115.31 121.84 2rgi h LEU 62 Ca -0.00 -0.29 0.07 0.00 0.09 0.00 0.00 57.88 57.75 2rgi h LEU 62 Cb 0.68 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.11 2rgi h LEU 62 CO 0.05 0.98 -0.22 0.44 0.09 0.00 0.00 178.44 179.78 2rgi h ASP 63 N 0.84 -0.71 -0.20 -0.43 3.32 -1.18 -1.92 116.42 116.13 2rgi h ASP 63 Ca 0.16 0.14 0.06 0.00 0.02 0.00 0.00 57.03 57.41 2rgi h ASP 63 Cb 0.48 0.35 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 2rgi h ASP 63 CO 0.02 -0.25 0.15 -0.08 -1.72 0.00 0.00 179.24 177.36 2rgi h GLU 64 N -0.21 0.00 -0.78 3.56 4.57 -1.03 -2.82 114.58 117.87 2rgi h GLU 64 Ca 0.15 0.00 -0.49 0.00 -1.18 0.00 0.00 59.36 57.84 2rgi h GLU 64 Cb 0.43 0.00 -0.42 0.00 -0.16 0.00 0.00 28.75 28.60 2rgi h GLU 64 CO -0.40 0.00 -0.88 0.09 -1.18 0.00 0.00 179.01 176.65 2rgi n ASN 65 N -4.42 4.17 0.20 1.04 4.13 -0.98 -4.90 115.26 114.50 2rgi n ASN 65 Ca 0.02 -3.39 0.05 0.00 1.68 0.00 0.00 54.58 52.93 2rgi n ASN 65 Cb 0.29 -0.39 0.49 0.00 -1.54 0.00 0.00 39.78 38.63 2rgi n ASN 65 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 2rgi h SER 66 N 2.33 0.06 1.02 6.41 4.64 -1.09 -1.65 113.55 125.27 2rgi h SER 66 Ca 0.25 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2rgi h SER 66 Cb 1.41 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 2rgi h SER 66 CO 0.65 0.22 -0.21 -0.90 -0.87 0.00 0.00 176.83 175.72 2rgi n ASP 67 N -4.33 0.46 -4.74 4.97 5.75 -1.26 -1.06 116.55 116.33 2rgi n ASP 67 Ca -0.02 0.31 -0.41 0.00 -0.01 0.00 0.00 54.79 54.66 2rgi n ASP 67 Cb 0.24 -0.32 -0.03 0.00 -1.03 0.00 0.00 41.12 39.98 2rgi n ASP 67 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2rgi s GLN 68 N -3.06 4.38 0.17 0.11 -0.21 -0.62 -4.78 119.66 115.65 2rgi s GLN 68 Ca 0.11 2.11 -0.19 0.00 0.02 0.00 0.00 55.36 57.41 2rgi s GLN 68 Cb 0.16 -3.16 -0.08 0.00 1.00 0.00 0.00 33.01 30.93 2rgi s GLN 68 CO 0.62 -0.24 0.66 -0.65 -2.12 0.00 0.00 175.29 173.55 2rgi s GLN 69 N -0.50 4.21 -0.06 2.91 -1.52 -1.26 -0.42 119.66 123.02 2rgi s GLN 69 Ca 0.55 0.79 0.05 0.00 -1.95 0.00 0.00 55.36 54.80 2rgi s GLN 69 Cb -0.38 -3.01 -0.01 0.00 -0.22 0.00 0.00 33.01 29.40 2rgi s GLN 69 CO 0.42 0.48 -0.24 0.08 -0.25 0.00 0.00 175.29 175.78 2rgi s VAL 70 N -1.38 1.95 0.77 1.09 1.01 0.21 -4.91 120.40 119.15 2rgi s VAL 70 Ca 0.38 -1.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 2rgi s VAL 70 Cb -0.18 -1.66 0.16 0.00 0.00 0.00 0.00 36.38 34.71 2rgi s VAL 70 CO 0.21 0.54 1.06 -0.90 0.00 0.00 0.00 175.10 176.01 2rgi n ASP 71 N 3.07 1.05 -0.23 3.32 5.75 -1.26 -1.40 116.55 126.84 2rgi n ASP 71 Ca -0.18 -1.97 -0.05 0.00 -0.01 0.00 0.00 54.79 52.58 2rgi n ASP 71 Cb 0.52 -0.72 0.06 0.00 -1.03 0.00 0.00 41.12 39.95 2rgi n ASP 71 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2rgi h PHE 72 N -0.87 0.81 -0.51 2.11 3.57 -2.00 0.28 116.94 120.34 2rgi h PHE 72 Ca -0.35 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.16 2rgi h PHE 72 Cb 1.19 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 2rgi h PHE 72 CO 0.00 0.49 0.28 1.96 -2.23 0.00 0.00 178.31 178.81 2rgi h GLN 73 N 0.86 0.71 -0.52 1.11 4.20 -1.96 0.60 115.11 120.11 2rgi h GLN 73 Ca 0.25 -0.08 -0.07 0.00 0.06 0.00 0.00 58.65 58.81 2rgi h GLN 73 Cb -0.06 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 2rgi h GLN 73 CO -0.07 0.55 0.05 0.93 -0.67 0.00 0.00 178.83 179.62 2rgi h GLU 74 N 0.68 0.88 -0.68 1.46 5.08 -1.88 -1.18 114.58 118.94 2rgi h GLU 74 Ca 0.18 -0.25 0.10 0.00 -1.00 0.00 0.00 59.36 58.38 2rgi h GLU 74 Cb 0.04 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.13 2rgi h GLU 74 CO -0.03 0.88 0.31 -0.92 -1.00 0.00 0.00 179.01 178.26 2rgi h TYR 75 N 0.76 0.56 -0.44 4.33 3.20 -0.56 -1.65 116.97 123.16 2rgi h TYR 75 Ca 0.15 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 2rgi h TYR 75 Cb 0.45 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 2rgi h TYR 75 CO 0.03 0.18 0.02 0.00 -1.64 0.00 0.00 178.16 176.75 2rgi h ALA 76 N 1.43 1.21 -0.33 1.82 0.00 -0.43 0.23 119.26 123.20 2rgi h ALA 76 Ca 0.34 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.05 2rgi h ALA 76 Cb 0.39 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2rgi h ALA 76 CO -0.29 0.52 0.12 0.28 0.00 0.00 0.00 179.25 179.88 2rgi h VAL 77 N 0.67 0.92 -0.27 0.00 2.07 -0.71 0.14 116.25 119.07 2rgi h VAL 77 Ca 0.14 -0.09 -0.06 0.00 0.82 0.00 0.00 66.70 67.51 2rgi h VAL 77 Cb 0.38 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2rgi h VAL 77 CO 0.01 0.05 -0.05 -0.26 0.02 0.00 0.00 177.57 177.34 2rgi h PHE 78 N 0.26 0.57 -0.92 1.57 -1.00 -0.80 -1.06 116.94 115.57 2rgi h PHE 78 Ca 0.14 -0.12 0.08 0.00 2.81 0.00 0.00 57.97 60.89 2rgi h PHE 78 Cb 0.11 -0.14 -0.07 0.00 3.61 0.00 0.00 35.95 39.46 2rgi h PHE 78 CO -0.13 0.70 0.57 -0.07 -1.61 0.00 0.00 178.31 177.77 2rgi h LEU 79 N 0.27 0.87 -0.60 1.54 3.38 -0.76 -1.39 115.31 118.62 2rgi h LEU 79 Ca 0.07 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 2rgi h LEU 79 Cb 0.51 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2rgi h LEU 79 CO 0.02 0.53 0.06 0.00 0.09 0.00 0.00 178.44 179.14 2rgi h ALA 80 N 1.45 0.80 -0.45 1.53 0.00 -0.44 -0.20 119.26 121.96 2rgi h ALA 80 Ca 0.42 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2rgi h ALA 80 Cb 0.27 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2rgi h ALA 80 CO -0.21 0.58 0.16 1.25 0.00 0.00 0.00 179.25 181.03 2rgi h LEU 81 N 0.91 0.64 -0.69 0.00 6.46 -0.77 -1.26 115.31 120.59 2rgi h LEU 81 Ca 0.18 -0.19 -0.09 0.00 -0.12 0.00 0.00 57.88 57.65 2rgi h LEU 81 Cb 0.47 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.21 2rgi h LEU 81 CO 0.02 0.66 -0.02 0.40 -0.62 0.00 0.00 178.44 178.87 2rgi h ILE 82 N 0.58 1.26 -0.44 4.05 2.04 -1.13 -1.51 117.51 122.37 2rgi h ILE 82 Ca 0.15 -1.14 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 2rgi h ILE 82 Cb 0.23 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 2rgi h ILE 82 CO -0.01 0.41 0.22 0.74 0.00 0.00 0.00 178.15 179.52 2rgi h THR 83 N 0.90 1.17 -0.62 -0.27 2.02 -0.75 -0.06 112.91 115.30 2rgi h THR 83 Ca 0.16 -0.47 -0.06 0.00 0.77 0.00 0.00 66.41 66.81 2rgi h THR 83 Cb 0.55 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 2rgi h THR 83 CO 0.03 0.19 0.16 0.58 0.37 0.00 0.00 175.52 176.84 2rgi h VAL 84 N 0.57 1.24 0.00 3.16 2.07 -0.98 0.27 116.25 122.59 2rgi h VAL 84 Ca 0.15 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.80 2rgi h VAL 84 Cb 0.09 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2rgi h VAL 84 CO -0.02 0.33 0.00 0.24 0.02 0.00 0.00 177.57 178.14 2rgi h MET 85 N 0.92 0.00 0.00 1.57 2.07 -0.78 -3.37 114.93 115.34 2rgi h MET 85 Ca 0.20 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.82 2rgi h MET 85 Cb 0.32 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.05 2rgi h MET 85 CO -0.00 0.00 -1.03 -1.13 1.07 0.00 0.00 176.91 175.82 2rgi n SER 86 N -2.55 4.88 -4.72 1.22 3.41 -0.08 -0.68 113.62 115.10 2rgi n SER 86 Ca 0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.22 2rgi n SER 86 Cb 0.30 0.68 -0.04 0.00 -0.26 0.00 0.00 64.21 64.89 2rgi n SER 86 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2rgi s ASN 87 N -2.73 7.34 0.50 4.04 2.47 0.89 -4.61 114.94 122.84 2rgi s ASN 87 Ca -0.00 1.62 0.24 0.00 0.42 0.00 0.00 52.86 55.13 2rgi s ASN 87 Cb 0.00 -2.55 1.30 0.00 -1.45 0.00 0.00 41.25 38.56 2rgi s ASN 87 CO 0.02 -0.18 1.95 0.44 -3.72 0.00 0.00 177.10 175.61 2rgi h ASP 88 N 6.44 0.13 -0.88 -4.21 3.32 -1.89 -1.50 116.42 117.83 2rgi h ASP 88 Ca -0.42 0.01 0.18 0.00 0.02 0.00 0.00 57.03 56.82 2rgi h ASP 88 Cb 1.21 -0.02 -0.11 0.00 0.22 0.00 0.00 39.33 40.64 2rgi h ASP 88 CO 0.74 0.06 0.43 0.15 -1.72 0.00 0.00 179.24 178.90 2rgi h PHE 89 N 0.13 0.73 0.12 4.55 3.57 -1.95 0.17 116.94 124.27 2rgi h PHE 89 Ca 0.33 0.04 -0.33 0.00 3.53 0.00 0.00 57.97 61.54 2rgi h PHE 89 Cb 1.11 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 2rgi h PHE 89 CO -0.00 0.08 -1.71 0.74 -2.23 0.00 0.00 178.31 175.19 2rgi h PHE 90 N 0.53 0.47 0.00 0.41 -1.00 -1.59 -3.39 116.94 112.38 2rgi h PHE 90 Ca 0.51 -0.34 -0.05 0.00 2.81 0.00 0.00 57.97 60.90 2rgi h PHE 90 Cb 0.85 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.38 2rgi h PHE 90 CO -0.11 1.67 -0.24 1.96 -1.61 0.00 0.00 178.31 179.99 2rgi h GLN 91 N -0.14 0.00 0.00 1.51 1.08 -1.17 -2.17 115.11 114.23 2rgi h GLN 91 Ca -0.37 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.83 2rgi h GLN 91 Cb 1.90 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.33 2rgi h GLN 91 CO 0.07 0.24 0.00 0.41 -0.95 0.00 0.00 178.83 178.60 2rgi n GLY 92 N 0.41 -1.06 2.32 3.46 0.00 0.03 -5.05 105.19 105.30 2rgi n GLY 92 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2rgi n GLY 92 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76