#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rgi n SER 3 N 0.00 3.09 -4.87 -3.46 3.41 -1.26 -4.84 113.62 105.69 2rgi n SER 3 Ca 0.00 -1.92 -0.31 0.00 -0.26 0.00 0.00 58.87 56.38 2rgi n SER 3 Cb 0.00 -0.25 -0.00 0.00 -0.26 0.00 0.00 64.21 63.70 2rgi n SER 3 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2rgi s SER 4 N -1.08 6.33 0.18 4.04 1.04 -1.26 -4.95 113.70 118.01 2rgi s SER 4 Ca 0.30 1.38 -0.10 0.00 0.48 0.00 0.00 55.95 58.01 2rgi s SER 4 Cb 0.16 -2.45 0.09 0.00 0.10 0.00 0.00 66.02 63.93 2rgi s SER 4 CO 0.22 -0.75 1.71 0.25 0.98 0.00 0.00 173.24 175.65 2rgi h LEU 5 N 0.08 0.94 -0.60 2.42 5.85 -1.99 -1.86 115.31 120.15 2rgi h LEU 5 Ca -0.45 -0.21 0.08 0.00 0.84 0.00 0.00 57.88 58.14 2rgi h LEU 5 Cb 1.19 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.91 2rgi h LEU 5 CO 0.62 0.90 0.25 -0.08 -0.34 0.00 0.00 178.44 179.79 2rgi h GLU 6 N 0.93 0.44 -0.20 1.25 4.81 -1.99 0.21 114.58 120.02 2rgi h GLU 6 Ca 0.21 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.27 2rgi h GLU 6 Cb 0.30 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2rgi h GLU 6 CO -0.01 0.29 -0.45 1.96 -0.73 0.00 0.00 179.01 180.07 2rgi h GLN 7 N 0.45 0.49 -0.38 1.92 4.20 -1.87 -0.12 115.11 119.82 2rgi h GLN 7 Ca 0.29 -0.27 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 2rgi h GLN 7 Cb 0.32 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 2rgi h GLN 7 CO -0.27 0.85 0.01 0.00 -0.67 0.00 0.00 178.83 178.75 2rgi h ALA 8 N 1.11 0.51 -0.47 3.87 0.00 -0.72 -2.26 119.26 121.30 2rgi h ALA 8 Ca 0.03 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 2rgi h ALA 8 Cb 0.95 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2rgi h ALA 8 CO 0.08 0.27 0.02 -0.07 0.00 0.00 0.00 179.25 179.55 2rgi h LEU 9 N 0.48 0.73 -1.44 0.00 3.38 -0.76 -1.45 115.31 116.26 2rgi h LEU 9 Ca 0.11 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2rgi h LEU 9 Cb 0.45 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2rgi h LEU 9 CO 0.02 0.79 0.34 0.00 0.09 0.00 0.00 178.44 179.68 2rgi h ALA 10 N 1.30 1.58 -0.09 1.53 0.00 -0.80 -1.24 119.26 121.54 2rgi h ALA 10 Ca 0.15 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.79 2rgi h ALA 10 Cb 0.42 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2rgi h ALA 10 CO 0.02 0.37 -0.81 0.28 0.00 0.00 0.00 179.25 179.11 2rgi h VAL 11 N 0.73 1.34 -0.87 0.00 2.07 -0.89 -1.03 116.25 117.61 2rgi h VAL 11 Ca 0.20 -2.14 0.05 0.00 0.82 0.00 0.00 66.70 65.63 2rgi h VAL 11 Cb -0.05 2.14 -0.06 0.00 -1.52 0.00 0.00 31.29 31.80 2rgi h VAL 11 CO -0.04 0.66 0.55 -0.07 0.02 0.00 0.00 177.57 178.68 2rgi h LEU 12 N 0.38 0.88 -0.04 2.57 4.07 -0.57 -0.66 115.31 121.93 2rgi h LEU 12 Ca -0.06 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.90 2rgi h LEU 12 Cb 1.42 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 42.98 2rgi h LEU 12 CO 0.15 0.58 -0.02 0.58 -1.08 0.00 0.00 178.44 178.65 2rgi h VAL 13 N 1.02 1.34 -0.22 1.22 2.07 -0.99 -1.65 116.25 119.05 2rgi h VAL 13 Ca 0.37 -1.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.80 2rgi h VAL 13 Cb 0.11 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 2rgi h VAL 13 CO -0.15 0.28 -0.01 0.71 0.02 0.00 0.00 177.57 178.42 2rgi h THR 14 N -0.31 1.15 -0.05 2.57 1.35 -1.05 -1.89 112.91 114.69 2rgi h THR 14 Ca 0.01 -0.58 -0.23 0.00 -0.55 0.00 0.00 66.41 65.06 2rgi h THR 14 Cb 0.47 1.00 0.01 0.00 -1.73 0.00 0.00 68.15 67.90 2rgi h THR 14 CO 0.01 0.20 -0.90 0.74 -0.25 0.00 0.00 175.52 175.32 2rgi h THR 15 N 0.32 1.34 0.11 6.82 2.02 -1.09 0.14 112.91 122.57 2rgi h THR 15 Ca 0.07 -2.23 0.02 0.00 0.77 0.00 0.00 66.41 65.04 2rgi h THR 15 Cb 0.24 2.26 -0.03 0.00 -1.74 0.00 0.00 68.15 68.87 2rgi h THR 15 CO 0.01 0.68 -0.25 0.15 0.37 0.00 0.00 175.52 176.48 2rgi h PHE 16 N 0.35 -0.66 -0.04 3.16 3.57 -1.02 -3.14 116.94 119.16 2rgi h PHE 16 Ca -0.08 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.32 2rgi h PHE 16 Cb 1.52 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 40.53 2rgi h PHE 16 CO 0.07 -0.35 -0.50 1.25 -2.23 0.00 0.00 178.31 176.56 2rgi h HIS 17 N -0.44 0.12 -1.00 0.41 2.76 -1.08 0.18 115.15 116.10 2rgi h HIS 17 Ca 0.03 -0.04 0.27 0.00 -2.20 0.00 0.00 60.37 58.44 2rgi h HIS 17 Cb 0.47 -0.02 -0.13 0.00 1.55 0.00 0.00 27.41 29.28 2rgi h HIS 17 CO -0.23 0.58 0.57 -0.22 -1.30 0.00 0.00 177.93 177.32 2rgi h LYS 18 N 0.08 0.46 0.04 5.26 3.64 -0.67 -0.26 116.57 125.11 2rgi h LYS 18 Ca 0.00 -0.03 -0.38 0.00 -1.27 0.00 0.00 60.65 58.97 2rgi h LYS 18 Cb 0.91 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.57 2rgi h LYS 18 CO 0.07 0.30 -2.24 0.66 -2.27 0.00 0.00 179.45 175.97 2rgi n TYR 19 N -4.96 0.48 0.23 1.91 4.02 -0.70 -4.45 117.16 113.68 2rgi n TYR 19 Ca 0.28 0.12 0.08 0.00 -0.01 0.00 0.00 57.90 58.37 2rgi n TYR 19 Cb 0.83 -1.06 0.56 0.00 -0.02 0.00 0.00 39.34 39.65 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 -0.19 0.00 0.70 7.72 4.64 -0.45 -2.26 113.55 123.72 2rgi h SER 20 Ca -0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 2rgi h SER 20 Cb 1.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.95 2rgi h SER 20 CO -0.09 0.19 0.00 0.77 -0.87 0.00 0.00 176.83 176.84 2rgi h SER 21 N 0.00 0.00 1.03 4.97 4.64 -1.25 -3.33 113.55 119.61 2rgi h SER 21 Ca -0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 2rgi h SER 21 Cb 0.39 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 2rgi h SER 21 CO 0.03 0.00 -0.52 1.56 -0.87 0.00 0.00 176.83 177.03 2rgi h GLN 22 N 0.00 0.00 -3.83 4.77 1.08 -1.63 -3.45 115.11 112.04 2rgi h GLN 22 Ca 0.00 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.10 2rgi h GLN 22 Cb 0.35 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 27.63 2rgi h GLN 22 CO 0.00 0.52 -0.44 -1.83 -0.95 0.00 0.00 178.83 176.13 2rgi s GLU 23 N -3.30 0.76 3.46 1.46 -1.05 -1.25 -5.13 118.70 113.64 2rgi s GLU 23 Ca 0.01 -0.92 0.00 0.00 -0.15 0.00 0.00 54.97 53.91 2rgi s GLU 23 Cb 0.10 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 34.09 2rgi s GLU 23 CO 0.73 -0.22 0.00 0.41 0.95 0.00 0.00 175.26 177.13 2rgi n GLY 24 N 0.18 2.50 3.70 -3.83 0.00 -1.26 -4.47 105.19 102.00 2rgi n GLY 24 Ca -0.16 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 6.88 0.00 1.61 -1.08 -1.26 -4.89 116.67 113.93 2rgi s ASP 25 Ca 0.00 2.12 0.13 0.00 -0.52 0.00 0.00 52.55 54.29 2rgi s ASP 25 Cb 0.00 -2.57 0.58 0.00 -1.46 0.00 0.00 42.92 39.47 2rgi s ASP 25 CO 0.00 -0.68 1.43 2.29 0.52 0.00 0.00 175.17 178.74 2rgi n LYS 26 N 4.97 0.00 -0.19 4.34 2.85 -1.26 -1.98 118.16 126.90 2rgi n LYS 26 Ca 0.12 0.27 0.11 0.00 -1.05 0.00 0.00 58.31 57.76 2rgi n LYS 26 Cb 0.44 -1.50 0.27 0.00 -0.65 0.00 0.00 35.03 33.58 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 -1.50 0.49 -4.17 5.58 3.01 -1.26 -4.40 117.46 115.22 2rgi n PHE 27 Ca 0.03 -0.25 -0.13 0.00 1.01 0.00 0.00 57.45 58.12 2rgi n PHE 27 Cb 0.16 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.52 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 -1.51 0.83 0.02 -1.08 -0.14 -0.84 -4.21 119.74 112.81 2rgi s LYS 28 Ca 0.37 -1.20 0.00 0.00 -1.36 0.00 0.00 55.97 53.78 2rgi s LYS 28 Cb 0.21 -0.40 -0.02 0.00 -1.68 0.00 0.00 37.83 35.93 2rgi s LYS 28 CO 0.29 0.04 -0.03 -0.48 -0.76 0.00 0.00 175.35 174.41 2rgi s LEU 29 N -2.61 2.22 0.72 3.17 2.34 -0.24 -4.46 118.68 119.82 2rgi s LEU 29 Ca 0.07 -0.47 -0.11 0.00 0.06 0.00 0.00 54.13 53.68 2rgi s LEU 29 Cb -0.00 0.05 0.02 0.00 -0.56 0.00 0.00 46.19 45.70 2rgi s LEU 29 CO -0.01 -0.26 1.07 -0.94 -1.06 0.00 0.00 176.35 175.14 2rgi s SER 30 N -1.36 5.21 0.39 1.48 1.04 -1.26 -0.23 113.70 118.97 2rgi s SER 30 Ca -0.14 1.43 0.15 0.00 0.48 0.00 0.00 55.95 57.87 2rgi s SER 30 Cb -0.09 -2.28 0.79 0.00 0.10 0.00 0.00 66.02 64.54 2rgi s SER 30 CO -0.01 -1.53 1.84 0.11 0.98 0.00 0.00 173.24 174.64 2rgi h LYS 31 N -0.78 0.00 -0.50 4.02 1.57 -0.60 0.12 116.57 120.40 2rgi h LYS 31 Ca -0.45 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.20 2rgi h LYS 31 Cb 1.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 2rgi h LYS 31 CO 0.59 0.35 -0.18 0.78 -0.57 0.00 0.00 179.45 180.42 2rgi h GLY 32 N 1.19 1.09 1.73 3.86 0.00 -1.46 -1.59 103.07 107.89 2rgi h GLY 32 Ca -0.00 -0.94 -0.15 0.00 0.00 0.00 0.00 47.33 46.24 2rgi h GLY 32 CO 0.05 0.86 -0.59 0.83 0.00 0.00 0.00 176.54 177.69 2rgi h GLU 33 N 0.88 0.28 -0.72 4.80 5.08 -1.60 -2.56 114.58 120.73 2rgi h GLU 33 Ca 0.12 -0.18 0.05 0.00 -1.00 0.00 0.00 59.36 58.34 2rgi h GLU 33 Cb 0.76 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.98 2rgi h GLU 33 CO 0.06 0.78 0.43 1.98 -1.00 0.00 0.00 179.01 181.27 2rgi h MET 34 N 0.21 0.80 -0.55 2.33 4.05 -0.50 0.38 114.93 121.64 2rgi h MET 34 Ca -0.00 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.37 2rgi h MET 34 Cb 1.09 -0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 31.68 2rgi h MET 34 CO 0.09 0.53 0.34 -0.22 0.23 0.00 0.00 176.91 177.88 2rgi h LYS 35 N 0.82 0.74 -0.41 0.39 3.64 -1.10 -0.67 116.57 119.98 2rgi h LYS 35 Ca 0.30 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.64 2rgi h LYS 35 Cb 0.10 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 2rgi h LYS 35 CO -0.15 0.52 0.25 1.49 -2.27 0.00 0.00 179.45 179.29 2rgi h GLU 36 N 0.74 0.48 -0.89 1.90 4.81 -1.03 -1.64 114.58 118.96 2rgi h GLU 36 Ca 0.20 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 2rgi h GLU 36 Cb -0.03 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.19 2rgi h GLU 36 CO -0.04 0.32 0.59 1.25 -0.73 0.00 0.00 179.01 180.40 2rgi h LEU 37 N 0.50 1.01 -0.42 1.64 6.46 -0.47 -0.69 115.31 123.34 2rgi h LEU 37 Ca 0.16 -0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 57.85 2rgi h LEU 37 Cb -0.00 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 39.66 2rgi h LEU 37 CO -0.07 0.72 0.07 -0.07 -0.62 0.00 0.00 178.44 178.47 2rgi h LEU 38 N 1.19 0.68 -0.53 2.25 3.38 -0.73 0.43 115.31 121.98 2rgi h LEU 38 Ca 0.33 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2rgi h LEU 38 Cb -0.11 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 2rgi h LEU 38 CO -0.08 0.77 0.23 0.45 0.09 0.00 0.00 178.44 179.89 2rgi h HIS 39 N 0.56 0.79 0.02 1.13 3.86 -0.81 -1.51 115.15 119.19 2rgi h HIS 39 Ca 0.13 -0.05 -0.16 0.00 -1.16 0.00 0.00 60.37 59.13 2rgi h HIS 39 Cb 0.38 -0.24 0.01 0.00 1.06 0.00 0.00 27.41 28.62 2rgi h HIS 39 CO 0.03 0.64 -0.63 0.87 0.86 0.00 0.00 177.93 179.70 2rgi h LYS 40 N 0.71 0.39 0.00 2.45 1.57 -1.00 -3.30 116.57 117.39 2rgi h LYS 40 Ca 0.18 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2rgi h LYS 40 Cb 0.17 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2rgi h LYS 40 CO -0.02 1.12 -1.05 0.39 -0.57 0.00 0.00 179.45 179.32 2rgi n GLU 41 N -4.21 0.19 -2.71 3.15 -0.58 0.15 -4.06 120.64 112.57 2rgi n GLU 41 Ca -0.11 -0.02 -0.23 0.00 -0.42 0.00 0.00 57.16 56.38 2rgi n GLU 41 Cb 0.69 -1.54 -0.01 0.00 -0.57 0.00 0.00 31.44 30.01 2rgi n GLU 41 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2rgi n LEU 42 N -1.77 3.76 0.04 -4.62 4.77 -0.57 -4.93 117.00 113.68 2rgi n LEU 42 Ca 0.02 -5.10 0.04 0.00 -0.03 0.00 0.00 56.01 50.94 2rgi n LEU 42 Cb 0.40 -0.23 0.43 0.00 -2.33 0.00 0.00 43.42 41.68 2rgi n LEU 42 CO 0.41 2.17 1.09 1.55 -1.33 0.00 0.00 177.39 181.28 2rgi h PRO 43 N 2.80 0.44 0.17 3.23 0.13 -1.70 0.18 132.00 137.25 2rgi h PRO 43 Ca 0.17 -0.04 -0.34 0.00 -0.87 0.00 0.00 66.00 64.91 2rgi h PRO 43 Cb 0.85 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.89 2rgi h PRO 43 CO 0.75 0.35 -1.72 0.77 -0.23 0.00 0.00 178.00 177.92 2rgi h SER 44 N 0.45 0.56 1.50 1.44 0.02 -1.90 -3.33 113.55 112.28 2rgi h SER 44 Ca 0.11 -0.85 -0.08 0.00 -0.84 0.00 0.00 61.79 60.14 2rgi h SER 44 Cb 0.05 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 2rgi h SER 44 CO -0.02 1.72 -0.38 -0.26 -1.14 0.00 0.00 176.83 176.75 2rgi h PHE 45 N 0.10 0.00 -3.31 3.45 -1.00 -1.93 -3.46 116.94 110.78 2rgi h PHE 45 Ca -0.33 0.00 -0.35 0.00 2.81 0.00 0.00 57.97 60.11 2rgi h PHE 45 Cb 2.08 0.00 -0.15 0.00 3.61 0.00 0.00 35.95 41.50 2rgi h PHE 45 CO 0.09 0.38 -0.71 0.08 -1.61 0.00 0.00 178.31 176.54 2rgi s VAL 46 N -3.10 1.24 0.00 -0.55 1.01 0.63 -4.96 120.40 114.67 2rgi s VAL 46 Ca 0.04 -2.08 0.00 0.00 0.00 0.00 0.00 61.98 59.94 2rgi s VAL 46 Cb 0.07 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.55 2rgi s VAL 46 CO 0.72 -0.70 0.00 0.61 0.00 0.00 0.00 175.10 175.72 2rgi n GLY 47 N -0.23 -1.90 4.57 4.51 0.00 -1.26 -4.35 105.19 106.52 2rgi n GLY 47 Ca -0.10 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.40 0.00 -4.53 1.61 -0.58 -1.26 -4.44 120.64 111.03 2rgi n GLU 48 Ca 0.00 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.50 2rgi n GLU 48 Cb 0.00 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 30.73 2rgi n GLU 48 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2rgi s LYS 49 N 0.00 1.23 -0.11 3.49 2.47 -1.26 -5.09 119.74 120.46 2rgi s LYS 49 Ca 0.00 -0.90 0.02 0.00 -1.56 0.00 0.00 55.97 53.53 2rgi s LYS 49 Cb 0.00 -1.32 -0.01 0.00 -1.46 0.00 0.00 37.83 35.04 2rgi s LYS 49 CO 0.00 0.33 -0.18 0.08 0.16 0.00 0.00 175.35 175.74 2rgi s VAL 50 N -0.83 2.57 -0.10 4.02 1.01 -1.26 -4.99 120.40 120.81 2rgi s VAL 50 Ca 0.06 -0.84 0.16 0.00 0.00 0.00 0.00 61.98 61.35 2rgi s VAL 50 Cb -0.09 -2.03 -0.15 0.00 0.00 0.00 0.00 36.38 34.11 2rgi s VAL 50 CO 0.02 0.54 0.81 0.44 0.00 0.00 0.00 175.10 176.91 2rgi h ASP 51 N 6.68 0.00 -3.61 3.32 3.32 -1.98 -3.44 116.42 120.71 2rgi h ASP 51 Ca -0.23 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.31 2rgi h ASP 51 Cb 1.22 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.75 2rgi h ASP 51 CO 0.51 0.68 0.28 -1.61 -1.72 0.00 0.00 179.24 177.38 2rgi s GLU 52 N -2.85 4.70 0.13 3.56 2.02 -1.26 -4.96 118.70 120.04 2rgi s GLU 52 Ca -0.03 1.33 -0.26 0.00 0.02 0.00 0.00 54.97 56.03 2rgi s GLU 52 Cb 0.08 -3.30 -0.03 0.00 0.10 0.00 0.00 34.13 30.98 2rgi s GLU 52 CO 0.81 0.45 1.62 1.49 0.02 0.00 0.00 175.26 179.65 2rgi h GLU 53 N 4.66 -0.39 -0.89 1.61 4.57 -1.99 0.37 114.58 122.51 2rgi h GLU 53 Ca -0.45 0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 57.74 2rgi h GLU 53 Cb 1.20 0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.84 2rgi h GLU 53 CO 0.68 -0.26 0.48 0.78 -1.18 0.00 0.00 179.01 179.51 2rgi h GLY 54 N -0.40 1.34 0.93 1.92 0.00 -1.98 -2.12 103.07 102.76 2rgi h GLY 54 Ca 0.08 -0.62 -0.10 0.00 0.00 0.00 0.00 47.33 46.69 2rgi h GLY 54 CO -0.30 0.59 -0.20 1.41 0.00 0.00 0.00 176.54 178.04 2rgi h LEU 55 N 1.25 0.68 -0.42 3.11 3.38 -1.88 -1.81 115.31 119.63 2rgi h LEU 55 Ca 0.31 -0.44 0.08 0.00 0.09 0.00 0.00 57.88 57.93 2rgi h LEU 55 Cb 0.05 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.53 2rgi h LEU 55 CO -0.05 0.97 -0.05 0.11 0.09 0.00 0.00 178.44 179.51 2rgi h LYS 56 N 0.40 0.05 -0.40 1.13 1.57 -0.72 -0.78 116.57 117.81 2rgi h LYS 56 Ca 0.06 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 2rgi h LYS 56 Cb 0.74 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 2rgi h LYS 56 CO 0.05 0.03 0.08 1.57 -0.57 0.00 0.00 179.45 180.62 2rgi h LYS 57 N 0.05 0.66 -0.71 3.15 2.10 -1.28 -1.35 116.57 119.19 2rgi h LYS 57 Ca 0.20 -0.17 0.03 0.00 -2.00 0.00 0.00 60.65 58.72 2rgi h LYS 57 Cb 0.30 -0.08 -0.05 0.00 -0.90 0.00 0.00 32.23 31.51 2rgi h LYS 57 CO -0.39 0.69 0.44 1.25 -2.00 0.00 0.00 179.45 179.45 2rgi h LEU 58 N 0.51 0.72 -0.36 7.07 5.85 -1.02 -0.97 115.31 127.10 2rgi h LEU 58 Ca 0.12 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.66 2rgi h LEU 58 Cb 0.34 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 2rgi h LEU 58 CO 0.00 0.49 -0.61 0.24 -0.34 0.00 0.00 178.44 178.23 2rgi h MET 59 N 0.86 0.71 -0.57 1.25 2.86 -0.97 -2.59 114.93 116.47 2rgi h MET 59 Ca 0.29 -0.48 -0.04 0.00 -2.06 0.00 0.00 59.70 57.41 2rgi h MET 59 Cb 0.03 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 2rgi h MET 59 CO -0.12 1.10 0.20 0.78 1.06 0.00 0.00 176.91 179.94 2rgi h GLY 60 N 0.86 0.91 1.07 8.32 0.00 -0.91 -2.73 103.07 110.60 2rgi h GLY 60 Ca -0.00 -0.48 -0.12 0.00 0.00 0.00 0.00 47.33 46.73 2rgi h GLY 60 CO 0.12 0.45 -0.18 1.48 0.00 0.00 0.00 176.54 178.42 2rgi h SER 61 N 0.83 0.97 -0.93 0.19 4.64 -1.03 -1.00 113.55 117.23 2rgi h SER 61 Ca 0.19 -0.39 0.08 0.00 -0.47 0.00 0.00 61.79 61.21 2rgi h SER 61 Cb 0.21 -0.27 -0.07 0.00 -0.31 0.00 0.00 62.40 61.96 2rgi h SER 61 CO -0.01 1.14 0.58 -0.07 -0.87 0.00 0.00 176.83 177.59 2rgi h LEU 62 N 0.80 0.89 0.03 5.97 3.38 -1.24 -0.43 115.31 124.71 2rgi h LEU 62 Ca 0.11 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2rgi h LEU 62 Cb 0.75 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2rgi h LEU 62 CO 0.06 0.54 -0.01 0.44 0.09 0.00 0.00 178.44 179.55 2rgi h ASP 63 N 1.01 -0.03 -0.49 -0.43 3.32 -1.14 -0.60 116.42 118.05 2rgi h ASP 63 Ca 0.42 -0.15 0.06 0.00 0.02 0.00 0.00 57.03 57.38 2rgi h ASP 63 Cb 0.27 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 2rgi h ASP 63 CO -0.21 0.13 0.33 -0.33 -1.72 0.00 0.00 179.24 177.44 2rgi h GLU 64 N -0.20 0.41 -0.25 3.56 5.08 -0.80 -2.78 114.58 119.60 2rgi h GLU 64 Ca -0.00 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 2rgi h GLU 64 Cb 0.18 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.27 2rgi h GLU 64 CO 0.01 0.27 -0.15 0.09 -1.00 0.00 0.00 179.01 178.23 2rgi n ASN 65 N -4.47 2.47 0.26 1.42 3.02 -0.20 -4.83 115.26 112.91 2rgi n ASN 65 Ca 0.06 -3.68 0.17 0.00 -0.03 0.00 0.00 54.58 51.11 2rgi n ASN 65 Cb 0.24 -0.59 0.93 0.00 -0.61 0.00 0.00 39.78 39.75 2rgi n ASN 65 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2rgi h SER 66 N 1.02 0.00 0.26 6.41 4.64 -0.81 -1.14 113.55 123.93 2rgi h SER 66 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2rgi h SER 66 Cb 1.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 2rgi h SER 66 CO 0.27 0.00 -0.72 -0.90 -0.87 0.00 0.00 176.83 174.62 2rgi n ASP 67 N -2.69 0.77 -4.77 4.97 5.75 -1.26 -1.65 116.55 117.67 2rgi n ASP 67 Ca -0.02 -0.63 -0.39 0.00 -0.01 0.00 0.00 54.79 53.73 2rgi n ASP 67 Cb 0.05 0.59 -0.03 0.00 -1.03 0.00 0.00 41.12 40.71 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 -2.97 4.30 -0.06 0.11 -0.21 -0.43 -4.79 119.66 115.60 2rgi s GLN 68 Ca 0.10 1.95 -0.03 0.00 0.02 0.00 0.00 55.36 57.40 2rgi s GLN 68 Cb 0.17 -2.93 -0.04 0.00 1.00 0.00 0.00 33.01 31.21 2rgi s GLN 68 CO 0.77 -0.14 0.10 -0.65 -2.12 0.00 0.00 175.29 173.25 2rgi s GLN 69 N -1.93 3.23 0.08 2.91 -1.52 -1.26 -0.55 119.66 120.62 2rgi s GLN 69 Ca 0.51 -0.33 0.06 0.00 -1.95 0.00 0.00 55.36 53.65 2rgi s GLN 69 Cb -0.34 -2.99 -0.03 0.00 -0.22 0.00 0.00 33.01 29.43 2rgi s GLN 69 CO 0.44 0.70 -0.16 0.14 -0.25 0.00 0.00 175.29 176.16 2rgi s VAL 70 N -1.11 1.30 0.61 1.09 -7.23 0.68 -4.94 120.40 110.80 2rgi s VAL 70 Ca 0.20 -1.38 0.07 0.00 -1.81 0.00 0.00 61.98 59.06 2rgi s VAL 70 Cb -0.12 -1.22 0.11 0.00 0.56 0.00 0.00 36.38 35.71 2rgi s VAL 70 CO 0.10 -0.18 0.84 -0.90 -0.31 0.00 0.00 175.10 174.65 2rgi n ASP 71 N 1.22 1.92 -0.26 4.85 5.68 -1.26 -1.08 116.55 127.60 2rgi n ASP 71 Ca -0.21 -2.43 -0.02 0.00 -0.50 0.00 0.00 54.79 51.63 2rgi n ASP 71 Cb 0.54 -0.47 0.09 0.00 -1.14 0.00 0.00 41.12 40.14 2rgi n ASP 71 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2rgi h PHE 72 N -0.07 0.86 -0.72 2.11 3.57 -1.99 -0.45 116.94 120.25 2rgi h PHE 72 Ca -0.28 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.24 2rgi h PHE 72 Cb 1.23 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.66 2rgi h PHE 72 CO 0.00 0.48 0.44 1.96 -2.23 0.00 0.00 178.31 178.95 2rgi h GLN 73 N 0.89 0.98 -0.56 1.11 4.20 -1.96 0.26 115.11 120.03 2rgi h GLN 73 Ca 0.30 -0.09 -0.09 0.00 0.06 0.00 0.00 58.65 58.83 2rgi h GLN 73 Cb 0.05 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 2rgi h GLN 73 CO -0.13 0.70 -0.03 0.93 -0.67 0.00 0.00 178.83 179.63 2rgi h GLU 74 N 0.99 0.98 -0.40 1.46 5.08 -1.86 -1.66 114.58 119.17 2rgi h GLU 74 Ca 0.26 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 2rgi h GLU 74 Cb -0.03 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 2rgi h GLU 74 CO -0.05 0.98 0.07 -0.92 -1.00 0.00 0.00 179.01 178.09 2rgi h TYR 75 N 0.90 0.70 -0.46 4.33 3.20 -0.34 -1.64 116.97 123.66 2rgi h TYR 75 Ca 0.16 -0.10 0.06 0.00 3.14 0.00 0.00 58.73 61.99 2rgi h TYR 75 Cb 0.56 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.59 2rgi h TYR 75 CO 0.04 0.69 0.18 0.00 -1.64 0.00 0.00 178.16 177.43 2rgi h ALA 76 N 0.93 0.56 -0.07 1.82 0.00 -0.38 -0.17 119.26 121.94 2rgi h ALA 76 Ca 0.12 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.11 2rgi h ALA 76 Cb 0.37 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2rgi h ALA 76 CO 0.01 -0.21 -0.10 0.28 0.00 0.00 0.00 179.25 179.23 2rgi h VAL 77 N 0.36 0.73 -0.55 0.00 2.07 -1.15 -0.12 116.25 117.58 2rgi h VAL 77 Ca 0.21 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.83 2rgi h VAL 77 Cb 0.20 0.73 -0.08 0.00 -1.52 0.00 0.00 31.29 30.62 2rgi h VAL 77 CO -0.21 0.00 0.10 -0.26 0.02 0.00 0.00 177.57 177.22 2rgi h PHE 78 N -0.13 0.15 -0.52 1.57 0.05 -0.99 -0.47 116.94 116.60 2rgi h PHE 78 Ca 0.06 0.03 -0.05 0.00 3.82 0.00 0.00 57.97 61.84 2rgi h PHE 78 Cb 0.22 0.02 -0.02 0.00 2.00 0.00 0.00 35.95 38.16 2rgi h PHE 78 CO -0.20 -0.03 0.13 -0.07 -0.18 0.00 0.00 178.31 177.96 2rgi h LEU 79 N 0.23 0.73 -0.57 1.54 3.38 -0.52 -1.27 115.31 118.83 2rgi h LEU 79 Ca 0.28 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 2rgi h LEU 79 Cb 0.41 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2rgi h LEU 79 CO -0.38 0.72 0.17 0.00 0.09 0.00 0.00 178.44 179.04 2rgi h ALA 80 N 1.38 0.74 -0.63 1.53 0.00 0.11 -0.78 119.26 121.61 2rgi h ALA 80 Ca 0.17 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2rgi h ALA 80 Cb 0.28 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2rgi h ALA 80 CO -0.00 0.41 0.25 1.25 0.00 0.00 0.00 179.25 181.16 2rgi h LEU 81 N 0.79 0.87 -1.09 0.00 5.85 -0.57 -0.81 115.31 120.35 2rgi h LEU 81 Ca 0.18 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.74 2rgi h LEU 81 Cb 0.29 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 2rgi h LEU 81 CO -0.01 0.80 0.61 0.40 -0.34 0.00 0.00 178.44 179.91 2rgi h ILE 82 N 0.89 1.24 -0.58 4.05 2.04 -1.07 -0.67 117.51 123.40 2rgi h ILE 82 Ca 0.21 -0.43 -0.10 0.00 1.00 0.00 0.00 64.86 65.54 2rgi h ILE 82 Cb 0.20 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.14 2rgi h ILE 82 CO -0.02 0.23 -0.02 0.74 0.00 0.00 0.00 178.15 179.08 2rgi h THR 83 N 1.25 1.26 -0.09 -0.27 2.02 -0.63 0.26 112.91 116.72 2rgi h THR 83 Ca 0.34 -1.16 -0.14 0.00 0.77 0.00 0.00 66.41 66.22 2rgi h THR 83 Cb -0.14 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 2rgi h THR 83 CO -0.07 0.42 -0.55 0.58 0.37 0.00 0.00 175.52 176.26 2rgi h VAL 84 N 0.94 1.36 0.00 3.16 2.07 -0.80 0.48 116.25 123.47 2rgi h VAL 84 Ca 0.16 -1.86 -0.08 0.00 0.82 0.00 0.00 66.70 65.75 2rgi h VAL 84 Cb 0.57 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 2rgi h VAL 84 CO 0.03 0.55 -0.38 0.24 0.02 0.00 0.00 177.57 178.04 2rgi h MET 85 N 0.20 0.00 0.00 1.57 2.07 -0.80 -3.39 114.93 114.59 2rgi h MET 85 Ca 0.00 0.00 -0.03 0.00 -2.07 0.00 0.00 59.70 57.61 2rgi h MET 85 Cb 1.04 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.76 2rgi h MET 85 CO 0.09 0.38 -1.28 -1.13 1.07 0.00 0.00 176.91 176.04 2rgi n SER 86 N -3.37 3.75 -4.73 1.22 3.41 0.05 -4.97 113.62 108.97 2rgi n SER 86 Ca 0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.21 2rgi n SER 86 Cb 0.57 1.07 -0.04 0.00 -0.26 0.00 0.00 64.21 65.55 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 -2.91 7.35 0.50 4.04 3.84 0.13 -4.93 114.94 122.97 2rgi s ASN 87 Ca -0.02 1.62 0.29 0.00 0.21 0.00 0.00 52.86 54.96 2rgi s ASN 87 Cb 0.03 -2.53 1.39 0.00 -0.55 0.00 0.00 41.25 39.59 2rgi s ASN 87 CO 0.22 -0.06 1.84 0.44 -2.79 0.00 0.00 177.10 176.75 2rgi h ASP 88 N 5.83 0.12 -0.48 -4.21 3.32 -1.95 -1.41 116.42 117.64 2rgi h ASP 88 Ca -0.43 0.02 0.06 0.00 0.02 0.00 0.00 57.03 56.70 2rgi h ASP 88 Cb 1.21 -0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.71 2rgi h ASP 88 CO 0.72 0.03 0.19 0.15 -1.72 0.00 0.00 179.24 178.61 2rgi h PHE 89 N 0.11 0.34 0.00 4.55 3.57 -1.94 0.51 116.94 124.08 2rgi h PHE 89 Ca 0.50 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.92 2rgi h PHE 89 Cb 1.77 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 40.41 2rgi h PHE 89 CO -0.00 0.13 -0.84 0.74 -2.23 0.00 0.00 178.31 176.11 2rgi h PHE 90 N 0.38 0.00 0.00 0.41 -1.00 -1.58 -3.35 116.94 111.80 2rgi h PHE 90 Ca 0.22 0.00 -0.36 0.00 2.81 0.00 0.00 57.97 60.65 2rgi h PHE 90 Cb 0.20 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 39.70 2rgi h PHE 90 CO -0.14 0.42 -2.30 1.04 -1.61 0.00 0.00 178.31 175.72 2rgi n GLN 91 N -3.03 0.68 -0.06 1.51 1.13 -0.81 -3.93 117.38 112.88 2rgi n GLN 91 Ca -0.02 0.03 0.09 0.00 -1.94 0.00 0.00 57.00 55.16 2rgi n GLN 91 Cb 0.73 -1.56 0.38 0.00 0.11 0.00 0.00 30.24 29.90 2rgi n GLN 91 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2rgi n GLY 92 N 1.72 -0.15 0.00 1.08 0.00 0.17 -5.02 105.19 102.99 2rgi n GLY 92 Ca -0.31 -0.30 0.02 0.00 0.00 0.00 0.00 46.02 45.44 2rgi n GLY 92 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18