#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n22 s SER 3 N 0.00 2.91 0.32 6.43 1.04 -1.26 -4.79 113.70 118.34 3n22 s SER 3 Ca 0.00 1.68 0.01 0.00 0.48 0.00 0.00 55.95 58.11 3n22 s SER 3 Cb 0.00 -2.31 0.52 0.00 0.10 0.00 0.00 66.02 64.33 3n22 s SER 3 CO 0.00 -3.02 1.91 0.77 0.98 0.00 0.00 173.24 173.88 3n22 h SER 4 N -1.81 0.73 -0.43 7.02 4.64 -2.05 -0.42 113.55 121.22 3n22 h SER 4 Ca -0.50 -0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 60.66 3n22 h SER 4 Cb 1.29 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 3n22 h SER 4 CO 0.50 0.64 -0.04 0.25 -0.87 0.00 0.00 176.83 177.32 3n22 h LEU 5 N 0.80 0.78 -0.99 5.97 5.85 -1.99 -1.70 115.31 124.02 3n22 h LEU 5 Ca 0.20 -0.33 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 3n22 h LEU 5 Cb 0.12 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 3n22 h LEU 5 CO -0.02 0.92 0.23 -0.33 -0.34 0.00 0.00 178.44 178.90 3n22 h GLU 6 N 0.62 0.96 -0.47 1.25 5.08 -1.82 0.47 114.58 120.67 3n22 h GLU 6 Ca 0.12 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 3n22 h GLU 6 Cb 0.55 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3n22 h GLU 6 CO 0.03 0.80 0.02 1.96 -1.00 0.00 0.00 179.01 180.82 3n22 h GLN 7 N 0.94 0.76 -0.36 2.33 4.20 -0.84 -0.85 115.11 121.28 3n22 h GLN 7 Ca 0.22 -0.19 -0.11 0.00 0.06 0.00 0.00 58.65 58.62 3n22 h GLN 7 Cb 0.22 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3n22 h GLN 7 CO -0.01 0.75 -0.21 0.00 -0.67 0.00 0.00 178.83 178.68 3n22 h ALA 8 N 1.31 0.51 -0.96 3.87 0.00 -0.61 -2.32 119.26 121.06 3n22 h ALA 8 Ca 0.14 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.69 3n22 h ALA 8 Cb 0.41 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3n22 h ALA 8 CO 0.01 0.47 0.64 -0.07 0.00 0.00 0.00 179.25 180.30 3n22 h LEU 9 N 0.56 1.10 -0.88 0.00 3.38 -0.68 -1.83 115.31 116.96 3n22 h LEU 9 Ca 0.07 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3n22 h LEU 9 Cb 0.77 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 3n22 h LEU 9 CO 0.06 0.79 0.47 0.00 0.09 0.00 0.00 178.44 179.85 3n22 h ALA 10 N 1.40 1.13 -0.56 1.53 0.00 -0.87 -1.91 119.26 119.98 3n22 h ALA 10 Ca 0.35 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.21 3n22 h ALA 10 Cb -0.15 -0.35 -0.07 0.00 0.00 0.00 0.00 17.79 17.22 3n22 h ALA 10 CO -0.08 0.65 0.19 0.28 0.00 0.00 0.00 179.25 180.30 3n22 h VAL 11 N 1.24 0.77 -0.61 0.00 2.07 -0.80 0.07 116.25 118.98 3n22 h VAL 11 Ca 0.31 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.66 3n22 h VAL 11 Cb 0.05 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 3n22 h VAL 11 CO -0.05 0.07 0.20 -0.07 0.02 0.00 0.00 177.57 177.74 3n22 h LEU 12 N 0.36 0.85 0.26 2.57 4.07 -0.73 -0.06 115.31 122.63 3n22 h LEU 12 Ca 0.28 -0.13 -0.01 0.00 0.08 0.00 0.00 57.88 58.09 3n22 h LEU 12 Cb 0.34 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.87 3n22 h LEU 12 CO -0.30 0.79 -0.12 0.58 -1.08 0.00 0.00 178.44 178.31 3n22 h VAL 13 N 0.89 0.77 -0.06 1.22 2.07 -0.98 -3.12 116.25 117.05 3n22 h VAL 13 Ca 0.20 -0.67 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 3n22 h VAL 13 Cb 0.24 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 3n22 h VAL 13 CO -0.01 0.13 -0.34 0.71 0.02 0.00 0.00 177.57 178.09 3n22 h THR 14 N -0.72 1.26 -0.67 2.57 1.35 -0.87 -2.50 112.91 113.33 3n22 h THR 14 Ca -0.04 -1.25 -0.03 0.00 -0.55 0.00 0.00 66.41 64.54 3n22 h THR 14 Cb 0.49 1.60 -0.03 0.00 -1.73 0.00 0.00 68.15 68.47 3n22 h THR 14 CO 0.06 0.37 0.30 0.74 -0.25 0.00 0.00 175.52 176.73 3n22 h THR 15 N 0.10 1.23 0.00 6.82 2.02 -1.06 -0.04 112.91 122.00 3n22 h THR 15 Ca 0.01 -0.69 0.01 0.00 0.77 0.00 0.00 66.41 66.50 3n22 h THR 15 Cb 0.65 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 3n22 h THR 15 CO 0.05 0.28 -0.04 0.15 0.37 0.00 0.00 175.52 176.33 3n22 h PHE 16 N 0.94 -0.09 -0.05 3.16 3.57 -1.38 -2.81 116.94 120.27 3n22 h PHE 16 Ca 0.23 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.62 3n22 h PHE 16 Cb 0.16 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 3n22 h PHE 16 CO 0.01 -0.06 -0.48 0.45 -2.23 0.00 0.00 178.31 176.00 3n22 h HIS 17 N -0.07 0.16 -0.76 0.41 3.86 -1.31 1.00 115.15 118.44 3n22 h HIS 17 Ca 0.01 -0.05 0.10 0.00 -1.16 0.00 0.00 60.37 59.28 3n22 h HIS 17 Cb 0.08 -0.03 -0.08 0.00 1.06 0.00 0.00 27.41 28.44 3n22 h HIS 17 CO -0.11 0.58 0.39 -0.22 0.86 0.00 0.00 177.93 179.43 3n22 h LYS 18 N 0.11 0.62 0.10 2.45 3.64 -0.76 -1.62 116.57 121.11 3n22 h LYS 18 Ca 0.00 -0.04 -0.27 0.00 -1.27 0.00 0.00 60.65 59.08 3n22 h LYS 18 Cb 0.89 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 3n22 h LYS 18 CO 0.07 0.41 -1.37 1.88 -2.27 0.00 0.00 179.45 178.17 3n22 h TYR 19 N 0.63 0.39 -0.30 1.91 0.05 -1.33 -3.39 116.97 114.93 3n22 h TYR 19 Ca 0.38 -0.28 -0.05 0.00 0.05 0.00 0.00 58.73 58.83 3n22 h TYR 19 Cb 0.43 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.13 3n22 h TYR 19 CO -0.10 1.54 -0.03 0.66 -1.05 0.00 0.00 178.16 179.18 3n22 h SER 20 N -0.37 0.44 -0.00 3.88 4.64 -0.69 -2.88 113.55 118.56 3n22 h SER 20 Ca -0.30 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3n22 h SER 20 Cb 1.70 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.68 3n22 h SER 20 CO 0.04 0.52 0.00 -1.54 -0.87 0.00 0.00 176.83 174.98 3n22 n SER 21 N -4.28 0.04 0.05 4.97 3.41 -0.62 -4.10 113.62 113.09 3n22 n SER 21 Ca 0.01 -1.18 -0.10 0.00 -0.26 0.00 0.00 58.87 57.33 3n22 n SER 21 Cb 0.25 -0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.12 3n22 n SER 21 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3n22 h GLN 22 N 0.06 -0.20 -5.73 4.33 4.20 -1.71 -3.46 115.11 112.62 3n22 h GLN 22 Ca 0.00 0.01 -0.55 0.00 0.06 0.00 0.00 58.65 58.18 3n22 h GLN 22 Cb 0.01 0.04 -0.14 0.00 0.30 0.00 0.00 27.48 27.70 3n22 h GLN 22 CO 0.00 0.23 -0.69 -1.21 -0.67 0.00 0.00 178.83 176.50 3n22 s GLU 23 N -3.23 1.65 2.48 1.46 2.02 -1.26 -5.06 118.70 116.76 3n22 s GLU 23 Ca -0.12 -1.83 0.00 0.00 0.02 0.00 0.00 54.97 53.04 3n22 s GLU 23 Cb 0.00 -1.41 0.00 0.00 0.10 0.00 0.00 34.13 32.82 3n22 s GLU 23 CO 0.45 0.11 0.00 0.41 0.02 0.00 0.00 175.26 176.25 3n22 n GLY 24 N -0.66 2.86 3.69 -1.39 0.00 -1.26 -4.18 105.19 104.25 3n22 n GLY 24 Ca -0.05 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 3n22 n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3n22 s ASP 25 N -4.00 6.91 0.07 1.61 -1.08 -1.26 -4.90 116.67 114.02 3n22 s ASP 25 Ca 0.00 2.05 0.21 0.00 -0.52 0.00 0.00 52.55 54.29 3n22 s ASP 25 Cb 0.00 -2.56 0.88 0.00 -1.46 0.00 0.00 42.92 39.78 3n22 s ASP 25 CO 0.00 -0.67 1.67 2.29 0.52 0.00 0.00 175.17 178.98 3n22 n LYS 26 N 5.20 0.07 -0.33 4.34 2.85 -1.26 -2.68 118.16 126.34 3n22 n LYS 26 Ca 0.12 0.21 0.07 0.00 -1.05 0.00 0.00 58.31 57.67 3n22 n LYS 26 Cb 0.44 -1.61 0.22 0.00 -0.65 0.00 0.00 35.03 33.43 3n22 n LYS 26 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 3n22 n PHE 27 N -1.73 0.77 -4.10 5.58 3.72 -1.26 -2.71 117.46 117.73 3n22 n PHE 27 Ca 0.04 -0.67 -0.14 0.00 -0.05 0.00 0.00 57.45 56.64 3n22 n PHE 27 Cb 0.26 -0.17 -0.12 0.00 -0.94 0.00 0.00 39.48 38.50 3n22 n PHE 27 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3n22 s LYS 28 N -1.84 0.49 -0.27 -1.08 1.02 -1.09 -4.27 119.74 112.69 3n22 s LYS 28 Ca 0.34 -0.55 -0.20 0.00 0.02 0.00 0.00 55.97 55.57 3n22 s LYS 28 Cb 0.23 -0.34 -0.01 0.00 -0.52 0.00 0.00 37.83 37.19 3n22 s LYS 28 CO 0.14 0.07 0.63 -0.51 -0.92 0.00 0.00 175.35 174.76 3n22 s LEU 29 N -1.06 4.09 0.92 3.17 1.43 0.18 -4.61 118.68 122.81 3n22 s LEU 29 Ca -0.06 0.60 -0.13 0.00 -1.03 0.00 0.00 54.13 53.51 3n22 s LEU 29 Cb -0.07 -2.84 0.15 0.00 0.03 0.00 0.00 46.19 43.46 3n22 s LEU 29 CO 0.00 -0.42 1.16 -0.94 0.23 0.00 0.00 176.35 176.39 3n22 s SER 30 N 1.54 3.41 0.19 2.29 1.04 -1.26 -0.59 113.70 120.32 3n22 s SER 30 Ca 0.26 0.84 -0.13 0.00 0.48 0.00 0.00 55.95 57.40 3n22 s SER 30 Cb -0.15 -1.32 0.20 0.00 0.10 0.00 0.00 66.02 64.85 3n22 s SER 30 CO 0.10 -2.60 1.71 0.50 0.98 0.00 0.00 173.24 173.93 3n22 h LYS 31 N -1.53 0.20 -0.51 4.02 3.64 -1.98 0.38 116.57 120.79 3n22 h LYS 31 Ca -0.49 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 58.80 3n22 h LYS 31 Cb 1.32 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 3n22 h LYS 31 CO 0.58 0.13 -0.00 0.78 -2.27 0.00 0.00 179.45 178.67 3n22 h GLY 32 N 0.21 0.92 1.32 5.01 0.00 -1.96 -0.50 103.07 108.06 3n22 h GLY 32 Ca 0.26 -0.63 -0.17 0.00 0.00 0.00 0.00 47.33 46.79 3n22 h GLY 32 CO -0.36 0.59 -0.50 0.83 0.00 0.00 0.00 176.54 177.10 3n22 h GLU 33 N 0.80 0.73 -0.83 4.80 5.08 -1.80 -2.23 114.58 121.12 3n22 h GLU 33 Ca 0.15 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 3n22 h GLU 33 Cb 0.48 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 3n22 h GLU 33 CO 0.02 1.06 0.46 1.98 -1.00 0.00 0.00 179.01 181.53 3n22 h MET 34 N 0.57 1.15 -0.41 2.33 4.05 -0.79 -0.27 114.93 121.56 3n22 h MET 34 Ca 0.02 -0.13 0.03 0.00 -0.28 0.00 0.00 59.70 59.34 3n22 h MET 34 Cb 1.07 -0.23 -0.03 0.00 -0.80 0.00 0.00 31.60 31.61 3n22 h MET 34 CO 0.10 0.84 0.21 -0.22 0.23 0.00 0.00 176.91 178.08 3n22 h LYS 35 N 1.15 0.42 -0.58 0.39 3.64 -0.87 0.22 116.57 120.94 3n22 h LYS 35 Ca 0.29 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.63 3n22 h LYS 35 Cb 0.02 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 3n22 h LYS 35 CO -0.05 0.28 0.30 0.93 -2.27 0.00 0.00 179.45 178.64 3n22 h GLU 36 N 0.43 0.82 -0.38 1.90 5.08 -1.12 -1.53 114.58 119.79 3n22 h GLU 36 Ca 0.17 -0.11 0.05 0.00 -1.00 0.00 0.00 59.36 58.48 3n22 h GLU 36 Cb 0.06 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 3n22 h GLU 36 CO -0.11 0.64 0.11 1.25 -1.00 0.00 0.00 179.01 179.90 3n22 h LEU 37 N 0.78 0.08 0.36 1.33 6.46 -0.52 -0.29 115.31 123.51 3n22 h LEU 37 Ca 0.20 0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 58.00 3n22 h LEU 37 Cb 0.07 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.06 3n22 h LEU 37 CO -0.03 0.08 -0.17 -0.07 -0.62 0.00 0.00 178.44 177.63 3n22 h LEU 38 N 0.25 -0.40 -0.41 2.25 3.38 -0.80 0.32 115.31 119.90 3n22 h LEU 38 Ca 0.18 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.21 3n22 h LEU 38 Cb 0.18 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 3n22 h LEU 38 CO -0.20 -0.28 0.13 -0.74 0.09 0.00 0.00 178.44 177.44 3n22 h HIS 39 N -0.48 0.24 0.07 1.13 2.76 -1.02 -0.98 115.15 116.87 3n22 h HIS 39 Ca -0.05 0.02 -0.30 0.00 -2.20 0.00 0.00 60.37 57.84 3n22 h HIS 39 Cb 0.37 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.26 3n22 h HIS 39 CO -0.05 0.09 -1.61 0.87 -1.30 0.00 0.00 177.93 175.93 3n22 h LYS 40 N 0.29 0.16 0.00 5.26 1.57 -0.99 -3.36 116.57 119.50 3n22 h LYS 40 Ca 0.19 -0.27 -0.11 0.00 -1.87 0.00 0.00 60.65 58.59 3n22 h LYS 40 Cb 0.18 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 3n22 h LYS 40 CO -0.20 0.94 -1.93 0.39 -0.57 0.00 0.00 179.45 178.08 3n22 n GLU 41 N -3.33 0.80 -2.61 3.15 -0.58 0.11 -4.62 120.64 113.55 3n22 n GLU 41 Ca -0.18 -0.11 -0.19 0.00 -0.42 0.00 0.00 57.16 56.27 3n22 n GLU 41 Cb 1.04 -1.43 0.01 0.00 -0.57 0.00 0.00 31.44 30.49 3n22 n GLU 41 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3n22 n LEU 42 N -2.30 3.09 0.26 -4.62 4.77 -0.38 -4.89 117.00 112.94 3n22 n LEU 42 Ca -0.12 -4.57 0.12 0.00 -0.03 0.00 0.00 56.01 51.41 3n22 n LEU 42 Cb 0.67 -0.02 0.73 0.00 -2.33 0.00 0.00 43.42 42.47 3n22 n LEU 42 CO 0.37 1.95 1.01 1.55 -1.33 0.00 0.00 177.39 180.94 3n22 h PRO 43 N 2.80 0.00 0.00 3.23 0.13 -1.69 0.36 132.00 136.83 3n22 h PRO 43 Ca 0.11 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 3n22 h PRO 43 Cb 1.02 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 3n22 h PRO 43 CO 0.68 0.09 -0.05 0.66 -0.23 0.00 0.00 178.00 179.15 3n22 h SER 44 N 0.00 0.00 0.24 1.44 4.64 -1.90 0.23 113.55 118.19 3n22 h SER 44 Ca -0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 3n22 h SER 44 Cb 0.21 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.26 3n22 h SER 44 CO 0.01 0.05 -2.00 0.49 -0.87 0.00 0.00 176.83 174.51 3n22 n PHE 45 N -3.54 0.38 0.05 4.77 0.99 0.08 -4.60 117.46 115.59 3n22 n PHE 45 Ca -0.02 0.13 0.01 0.00 -0.00 0.00 0.00 57.45 57.57 3n22 n PHE 45 Cb 0.16 -0.97 -0.01 0.00 -1.00 0.00 0.00 39.48 37.66 3n22 n PHE 45 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 3n22 n VAL 46 N -2.75 0.00 -4.49 -4.37 0.24 -0.96 -5.13 118.33 100.88 3n22 n VAL 46 Ca -0.21 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 3n22 n VAL 46 Cb 0.98 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 34.04 3n22 n VAL 46 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3n22 n GLY 47 N 1.78 -0.48 0.13 7.63 0.00 0.79 -4.34 105.19 110.71 3n22 n GLY 47 Ca -0.00 -1.10 0.02 0.00 0.00 0.00 0.00 46.02 44.94 3n22 n GLY 47 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3n22 h GLU 48 N 0.00 0.00 -5.32 1.61 4.57 -1.95 -3.43 114.58 110.06 3n22 h GLU 48 Ca 0.00 0.00 -0.67 0.00 -1.18 0.00 0.00 59.36 57.51 3n22 h GLU 48 Cb 0.00 0.00 -0.32 0.00 -0.16 0.00 0.00 28.75 28.27 3n22 h GLU 48 CO 0.00 0.50 -0.86 -1.59 -1.18 0.00 0.00 179.01 175.88 3n22 s LYS 49 N -2.94 3.11 -0.30 1.92 0.00 -1.26 -5.04 119.74 115.22 3n22 s LYS 49 Ca 0.03 -0.84 -0.29 0.00 0.00 0.00 0.00 55.97 54.87 3n22 s LYS 49 Cb 0.08 -2.39 0.01 0.00 0.00 0.00 0.00 37.83 35.53 3n22 s LYS 49 CO 0.76 0.16 1.22 0.08 0.00 0.00 0.00 175.35 177.57 3n22 s VAL 50 N 0.41 4.28 0.11 1.79 1.01 -1.26 -4.99 120.40 121.75 3n22 s VAL 50 Ca -0.16 1.46 -0.31 0.00 0.00 0.00 0.00 61.98 62.97 3n22 s VAL 50 Cb -0.17 -4.24 -0.09 0.00 0.00 0.00 0.00 36.38 31.87 3n22 s VAL 50 CO 0.07 -0.46 1.69 -0.62 0.00 0.00 0.00 175.10 175.77 3n22 s ASP 51 N 2.33 6.54 0.20 3.32 -1.08 -1.26 -4.92 116.67 121.79 3n22 s ASP 51 Ca 0.52 2.61 -0.08 0.00 -0.52 0.00 0.00 52.55 55.08 3n22 s ASP 51 Cb -0.15 -2.57 0.13 0.00 -1.46 0.00 0.00 42.92 38.87 3n22 s ASP 51 CO 0.20 -0.91 1.75 -0.08 0.52 0.00 0.00 175.17 176.65 3n22 h GLU 52 N 7.96 1.14 -0.32 4.34 4.57 -1.99 -0.03 114.58 130.25 3n22 h GLU 52 Ca -0.44 -0.23 -0.12 0.00 -1.18 0.00 0.00 59.36 57.39 3n22 h GLU 52 Cb 1.21 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.62 3n22 h GLU 52 CO 0.93 0.95 -0.27 0.93 -1.18 0.00 0.00 179.01 180.38 3n22 h GLU 53 N 1.09 0.75 -0.51 1.92 4.39 -2.00 -1.72 114.58 118.51 3n22 h GLU 53 Ca 0.24 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.57 3n22 h GLU 53 Cb 0.27 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 3n22 h GLU 53 CO -0.01 1.00 0.34 0.78 -1.16 0.00 0.00 179.01 179.96 3n22 h GLY 54 N 0.52 0.72 1.03 -3.84 0.00 -1.92 -1.75 103.07 97.84 3n22 h GLY 54 Ca 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 3n22 h GLY 54 CO 0.07 0.27 0.56 -2.00 0.00 0.00 0.00 176.54 175.43 3n22 h LEU 55 N 0.70 1.13 -0.64 3.11 5.85 -0.78 0.16 115.31 124.85 3n22 h LEU 55 Ca 0.19 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 3n22 h LEU 55 Cb -0.08 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.64 3n22 h LEU 55 CO -0.04 0.88 0.05 0.11 -0.34 0.00 0.00 178.44 179.09 3n22 h LYS 56 N 1.30 1.09 -0.44 1.25 1.57 -1.02 -0.49 116.57 119.82 3n22 h LYS 56 Ca 0.34 -0.32 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 3n22 h LYS 56 Cb -0.04 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 3n22 h LYS 56 CO -0.06 1.03 0.12 0.87 -0.57 0.00 0.00 179.45 180.84 3n22 h LYS 57 N 1.00 0.70 0.40 3.15 1.57 -0.74 -0.77 116.57 121.89 3n22 h LYS 57 Ca 0.19 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3n22 h LYS 57 Cb 0.51 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 3n22 h LYS 57 CO 0.02 0.69 -0.28 1.25 -0.57 0.00 0.00 179.45 180.57 3n22 h LEU 58 N 0.58 -0.72 -0.51 2.94 5.85 -0.49 -0.74 115.31 122.22 3n22 h LEU 58 Ca 0.14 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.98 3n22 h LEU 58 Cb 0.30 0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.50 3n22 h LEU 58 CO -0.00 -0.43 0.19 0.24 -0.34 0.00 0.00 178.44 178.10 3n22 h MET 59 N -0.67 0.36 -0.58 1.25 2.86 -1.09 -1.85 114.93 115.21 3n22 h MET 59 Ca -0.04 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 3n22 h MET 59 Cb 0.57 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.12 3n22 h MET 59 CO 0.02 0.24 0.33 0.78 1.06 0.00 0.00 176.91 179.34 3n22 h GLY 60 N 0.37 0.85 1.80 8.32 0.00 -0.87 -0.27 103.07 113.27 3n22 h GLY 60 Ca 0.25 -0.36 -0.18 0.00 0.00 0.00 0.00 47.33 47.04 3n22 h GLY 60 CO -0.24 0.35 -0.80 1.48 0.00 0.00 0.00 176.54 177.33 3n22 h SER 61 N 0.81 0.24 0.65 0.19 4.64 -0.78 -3.28 113.55 116.02 3n22 h SER 61 Ca 0.21 -0.18 -0.27 0.00 -0.47 0.00 0.00 61.79 61.08 3n22 h SER 61 Cb 0.00 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 3n22 h SER 61 CO -0.04 0.94 -1.34 -0.07 -0.87 0.00 0.00 176.83 175.45 3n22 h LEU 62 N 0.12 0.24 -7.91 5.97 3.38 -1.05 -3.41 115.31 112.63 3n22 h LEU 62 Ca -0.03 -0.30 -0.66 0.00 0.09 0.00 0.00 57.88 56.97 3n22 h LEU 62 Cb 1.39 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.97 3n22 h LEU 62 CO 0.12 1.25 1.99 -0.62 0.09 0.00 0.00 178.44 181.27 3n22 s ASP 63 N -6.83 6.77 0.37 -0.43 2.15 -0.14 -4.81 116.67 113.75 3n22 s ASP 63 Ca -0.05 -2.24 0.18 0.00 0.43 0.00 0.00 52.55 50.88 3n22 s ASP 63 Cb 0.08 -2.57 0.66 0.00 -0.30 0.00 0.00 42.92 40.79 3n22 s ASP 63 CO 0.85 -1.23 1.73 -0.33 -0.17 0.00 0.00 175.17 176.01 3n22 h GLU 64 N 8.08 0.00 -0.37 4.34 4.39 -1.83 -2.78 114.58 126.41 3n22 h GLU 64 Ca 0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.08 3n22 h GLU 64 Cb 0.90 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 3n22 h GLU 64 CO 1.44 0.39 0.00 0.27 -1.16 0.00 0.00 179.01 179.95 3n22 n ASN 65 N -3.57 3.26 -0.32 1.42 6.94 -1.26 -4.97 115.26 116.76 3n22 n ASN 65 Ca -0.00 -1.97 -0.04 0.00 -0.02 0.00 0.00 54.58 52.55 3n22 n ASN 65 Cb 0.51 -0.24 -0.02 0.00 -2.36 0.00 0.00 39.78 37.68 3n22 n ASN 65 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 3n22 n SER 66 N 1.36 -3.99 -0.55 0.53 7.64 -1.05 -4.85 113.62 112.71 3n22 n SER 66 Ca 0.19 0.10 0.11 0.00 1.01 0.00 0.00 58.87 60.28 3n22 n SER 66 Cb 0.58 -1.86 0.39 0.00 -1.01 0.00 0.00 64.21 62.30 3n22 n SER 66 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3n22 n ASP 67 N 0.27 1.65 -0.01 6.43 5.75 -1.26 -4.91 116.55 124.46 3n22 n ASP 67 Ca -0.04 -1.69 -0.00 0.00 -0.01 0.00 0.00 54.79 53.05 3n22 n ASP 67 Cb 0.22 -0.10 -0.00 0.00 -1.03 0.00 0.00 41.12 40.21 3n22 n ASP 67 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3n22 n GLN 68 N 0.31 -0.73 -4.34 0.11 3.00 -1.26 -4.97 117.38 109.49 3n22 n GLN 68 Ca 0.16 0.20 -0.17 0.00 -0.01 0.00 0.00 57.00 57.18 3n22 n GLN 68 Cb 0.33 -3.76 -0.10 0.00 0.00 0.00 0.00 30.24 26.71 3n22 n GLN 68 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 3n22 s GLN 69 N -0.78 1.36 -0.28 -1.09 -0.21 -1.26 -4.29 119.66 113.11 3n22 s GLN 69 Ca 0.00 -1.70 -0.02 0.00 0.02 0.00 0.00 55.36 53.66 3n22 s GLN 69 Cb 0.00 -0.59 0.04 0.00 1.00 0.00 0.00 33.01 33.45 3n22 s GLN 69 CO 0.00 -0.12 -0.02 0.08 -2.12 0.00 0.00 175.29 173.11 3n22 s VAL 70 N -3.45 3.02 0.80 1.09 1.01 0.24 -4.58 120.40 118.54 3n22 s VAL 70 Ca 0.30 -1.20 -0.10 0.00 0.00 0.00 0.00 61.98 60.99 3n22 s VAL 70 Cb 0.06 -2.65 0.11 0.00 0.00 0.00 0.00 36.38 33.90 3n22 s VAL 70 CO 0.10 0.02 1.13 1.51 0.00 0.00 0.00 175.10 177.86 3n22 s ASP 71 N 1.30 4.23 0.30 3.32 1.47 -1.26 -0.65 116.67 125.38 3n22 s ASP 71 Ca -0.03 0.38 0.07 0.00 1.18 0.00 0.00 52.55 54.15 3n22 s ASP 71 Cb -0.18 -0.80 0.49 0.00 -0.34 0.00 0.00 42.92 42.09 3n22 s ASP 71 CO -0.02 -2.00 1.72 0.15 0.68 0.00 0.00 175.17 175.70 3n22 h PHE 72 N -0.97 0.27 -0.63 2.11 3.57 -1.99 0.09 116.94 119.39 3n22 h PHE 72 Ca -0.44 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 60.96 3n22 h PHE 72 Cb 1.29 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.94 3n22 h PHE 72 CO -0.14 0.59 0.28 0.37 -2.23 0.00 0.00 178.31 177.19 3n22 h GLN 73 N 0.20 0.92 -0.30 1.11 5.75 -1.96 -1.61 115.11 119.23 3n22 h GLN 73 Ca 0.02 -0.15 -0.14 0.00 -0.15 0.00 0.00 58.65 58.23 3n22 h GLN 73 Cb 0.77 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.15 3n22 h GLN 73 CO 0.06 0.76 -0.37 0.93 -2.65 0.00 0.00 178.83 177.55 3n22 h GLU 74 N 0.87 0.69 0.00 1.69 5.08 -1.76 -2.43 114.58 118.72 3n22 h GLU 74 Ca 0.21 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 3n22 h GLU 74 Cb 0.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 3n22 h GLU 74 CO -0.02 0.95 -0.10 -0.92 -1.00 0.00 0.00 179.01 177.92 3n22 h TYR 75 N 0.57 0.00 -0.42 4.33 3.20 -0.36 -2.44 116.97 121.85 3n22 h TYR 75 Ca 0.05 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 3n22 h TYR 75 Cb 0.90 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 3n22 h TYR 75 CO 0.04 0.10 0.10 0.00 -1.64 0.00 0.00 178.16 176.76 3n22 h ALA 76 N 1.90 1.40 -0.63 1.82 0.00 -0.79 0.34 119.26 123.31 3n22 h ALA 76 Ca -0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3n22 h ALA 76 Cb 0.22 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3n22 h ALA 76 CO 0.01 0.44 0.29 0.28 0.00 0.00 0.00 179.25 180.27 3n22 h VAL 77 N 0.60 1.22 -0.70 0.00 2.07 -1.53 -1.58 116.25 116.33 3n22 h VAL 77 Ca 0.14 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 3n22 h VAL 77 Cb 0.23 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 3n22 h VAL 77 CO -0.00 0.26 0.26 0.15 0.02 0.00 0.00 177.57 178.26 3n22 h PHE 78 N 0.87 1.06 -0.21 1.57 3.57 -1.25 -2.01 116.94 120.54 3n22 h PHE 78 Ca 0.22 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3n22 h PHE 78 Cb 0.13 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 3n22 h PHE 78 CO 0.00 0.82 0.14 -0.07 -2.23 0.00 0.00 178.31 176.97 3n22 h LEU 79 N 1.02 0.25 -0.62 0.59 3.38 -0.65 -0.42 115.31 118.87 3n22 h LEU 79 Ca 0.23 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.20 3n22 h LEU 79 Cb 0.22 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3n22 h LEU 79 CO -0.02 0.18 0.40 0.00 0.09 0.00 0.00 178.44 179.10 3n22 h ALA 80 N 1.08 0.78 -0.07 1.53 0.00 -0.98 -1.31 119.26 120.29 3n22 h ALA 80 Ca 0.08 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3n22 h ALA 80 Cb -0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3n22 h ALA 80 CO -0.02 0.20 0.04 1.25 0.00 0.00 0.00 179.25 180.72 3n22 h LEU 81 N 0.82 0.09 -1.39 0.00 5.85 -0.84 -1.68 115.31 118.17 3n22 h LEU 81 Ca 0.23 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 3n22 h LEU 81 Cb -0.08 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3n22 h LEU 81 CO -0.06 0.17 -0.28 0.16 -0.34 0.00 0.00 178.44 178.09 3n22 h ILE 82 N 0.01 0.94 -0.14 4.05 3.07 -0.96 0.32 117.51 124.80 3n22 h ILE 82 Ca 0.02 -1.08 -0.03 0.00 1.55 0.00 0.00 64.86 65.33 3n22 h ILE 82 Cb 0.10 1.63 -0.00 0.00 -0.27 0.00 0.00 36.82 38.27 3n22 h ILE 82 CO -0.00 0.28 -0.01 0.74 -1.05 0.00 0.00 178.15 178.11 3n22 h THR 83 N 0.00 1.26 -0.63 0.16 2.02 -1.03 -0.03 112.91 114.66 3n22 h THR 83 Ca -0.00 -0.88 0.02 0.00 0.77 0.00 0.00 66.41 66.32 3n22 h THR 83 Cb 0.61 1.57 -0.04 0.00 -1.74 0.00 0.00 68.15 68.55 3n22 h THR 83 CO 0.04 0.26 0.40 0.58 0.37 0.00 0.00 175.52 177.17 3n22 h VAL 84 N -0.02 1.11 -0.91 3.16 2.07 -0.93 -2.13 116.25 118.61 3n22 h VAL 84 Ca 0.04 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 3n22 h VAL 84 Cb 0.40 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 3n22 h VAL 84 CO 0.01 0.15 0.51 0.24 0.02 0.00 0.00 177.57 178.49 3n22 h MET 85 N 0.81 1.26 -0.42 1.57 2.07 -0.84 -1.50 114.93 117.88 3n22 h MET 85 Ca 0.25 -0.14 -0.03 0.00 -2.07 0.00 0.00 59.70 57.70 3n22 h MET 85 Cb -0.03 -0.25 -0.02 0.00 -1.87 0.00 0.00 31.60 29.43 3n22 h MET 85 CO -0.08 0.91 0.13 1.03 1.07 0.00 0.00 176.91 179.97 3n22 h SER 86 N 1.27 0.55 -0.10 1.22 0.87 -0.49 -0.05 113.55 116.81 3n22 h SER 86 Ca 0.32 -0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.76 3n22 h SER 86 Cb 0.01 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 61.83 3n22 h SER 86 CO -0.05 0.53 -0.15 -1.13 -0.53 0.00 0.00 176.83 175.50 3n22 h ASN 87 N 0.60 0.30 1.20 6.23 -1.24 -0.91 -3.33 115.58 118.43 3n22 h ASN 87 Ca 0.14 -0.53 -0.17 0.00 0.71 0.00 0.00 56.30 56.46 3n22 h ASN 87 Cb 0.18 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.12 3n22 h ASN 87 CO -0.01 0.77 -0.80 0.44 -1.29 0.00 0.00 177.43 176.54 3n22 h ASP 88 N -0.16 0.00 0.00 1.15 3.32 -1.03 -3.52 116.42 116.18 3n22 h ASP 88 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3n22 h ASP 88 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 3n22 h ASP 88 CO 0.03 0.78 0.00 0.49 -1.72 0.00 0.00 179.24 178.83