#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbm n SER 2 N 0.00 3.38 -0.38 1.61 7.64 -1.26 -4.34 113.62 120.27 2kbm n SER 2 Ca 0.00 -2.50 -0.02 0.00 1.01 0.00 0.00 58.87 57.36 2kbm n SER 2 Cb 0.00 -0.60 0.11 0.00 -1.01 0.00 0.00 64.21 62.71 2kbm n SER 2 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2kbm h GLU 3 N 1.86 1.33 -0.55 1.43 3.07 -2.06 -1.54 114.58 118.10 2kbm h GLU 3 Ca 0.03 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 2kbm h GLU 3 Cb 1.31 -0.30 -0.03 0.00 -0.84 0.00 0.00 28.75 28.90 2kbm h GLU 3 CO 0.28 0.88 0.29 -0.07 -1.40 0.00 0.00 179.01 178.99 2kbm h LEU 4 N 1.36 0.70 -1.32 1.33 3.38 -2.02 -1.68 115.31 117.07 2kbm h LEU 4 Ca 0.37 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.24 2kbm h LEU 4 Cb -0.16 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.38 2kbm h LEU 4 CO -0.08 0.60 0.46 -0.08 0.09 0.00 0.00 178.44 179.43 2kbm h GLU 5 N 0.74 0.91 -0.21 1.13 4.81 -1.73 -2.38 114.58 117.87 2kbm h GLU 5 Ca 0.19 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.41 2kbm h GLU 5 Cb 0.07 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.20 2kbm h GLU 5 CO -0.03 0.61 -0.06 1.15 -0.73 0.00 0.00 179.01 179.95 2kbm h THR 6 N 0.94 0.78 -0.07 0.32 2.02 -0.36 -2.57 112.91 113.98 2kbm h THR 6 Ca 0.26 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.38 2kbm h THR 6 Cb -0.11 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 2kbm h THR 6 CO -0.06 0.00 -0.21 0.00 0.37 0.00 0.00 175.52 175.62 2kbm h ALA 7 N 1.20 1.52 -0.10 6.16 0.00 -1.08 -2.59 119.26 124.37 2kbm h ALA 7 Ca 0.10 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2kbm h ALA 7 Cb 0.16 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2kbm h ALA 7 CO -0.22 0.35 -0.12 1.98 0.00 0.00 0.00 179.25 181.24 2kbm h MET 8 N 0.11 0.25 0.00 0.00 -1.53 -1.16 -3.14 114.93 109.46 2kbm h MET 8 Ca 0.02 -0.14 -0.05 0.00 -3.44 0.00 0.00 59.70 56.08 2kbm h MET 8 Cb 0.44 0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.49 2kbm h MET 8 CO 0.03 0.69 -0.26 1.05 0.14 0.00 0.00 176.91 178.56 2kbm h GLU 9 N -0.17 0.00 0.45 0.39 4.11 -1.46 -3.13 114.58 114.77 2kbm h GLU 9 Ca 0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.42 2kbm h GLU 9 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2kbm h GLU 9 CO 0.03 0.26 -0.22 1.79 0.07 0.00 0.00 179.01 180.94 2kbm h THR 10 N 0.00 0.30 -1.00 -1.06 1.35 -1.42 -1.61 112.91 109.46 2kbm h THR 10 Ca -0.00 -0.56 0.16 0.00 -0.55 0.00 0.00 66.41 65.45 2kbm h THR 10 Cb 0.70 0.46 -0.10 0.00 -1.73 0.00 0.00 68.15 67.48 2kbm h THR 10 CO 0.03 0.06 0.62 -0.07 -0.25 0.00 0.00 175.52 175.91 2kbm h LEU 11 N -1.04 0.85 -0.62 3.87 4.07 -1.59 -1.14 115.31 119.71 2kbm h LEU 11 Ca -0.06 0.07 -0.10 0.00 0.08 0.00 0.00 57.88 57.88 2kbm h LEU 11 Cb 0.56 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.19 2kbm h LEU 11 CO 0.10 0.38 0.01 0.40 -1.08 0.00 0.00 178.44 178.25 2kbm h ILE 12 N 0.87 1.27 0.03 1.22 2.04 -1.50 -2.89 117.51 118.56 2kbm h ILE 12 Ca 0.54 -1.15 -0.09 0.00 1.00 0.00 0.00 64.86 65.16 2kbm h ILE 12 Cb 0.70 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 2kbm h ILE 12 CO -0.33 0.42 -0.47 0.78 0.00 0.00 0.00 178.15 178.55 2kbm h ASN 13 N 1.00 0.11 -0.85 1.72 2.35 -0.22 -3.11 115.58 116.58 2kbm h ASN 13 Ca 0.18 -0.90 0.01 0.00 -0.55 0.00 0.00 56.30 55.04 2kbm h ASN 13 Cb 0.55 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.85 2kbm h ASN 13 CO 0.03 1.20 0.56 1.62 -1.65 0.00 0.00 177.43 179.19 2kbm h VAL 14 N -0.84 1.22 -0.76 2.81 3.04 -1.47 0.42 116.25 120.67 2kbm h VAL 14 Ca -0.11 -0.40 0.01 0.00 -1.01 0.00 0.00 66.70 65.19 2kbm h VAL 14 Cb 1.22 -0.03 -0.04 0.00 -2.01 0.00 0.00 31.29 30.43 2kbm h VAL 14 CO -0.01 0.21 0.50 -0.26 -1.01 0.00 0.00 177.57 177.01 2kbm h PHE 15 N 1.15 0.95 -0.16 3.17 0.04 -1.64 -1.26 116.94 119.20 2kbm h PHE 15 Ca 0.31 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 61.02 2kbm h PHE 15 Cb -0.13 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 37.68 2kbm h PHE 15 CO 0.00 0.60 -0.25 0.45 -0.60 0.00 0.00 178.31 178.51 2kbm h HIS 16 N 1.03 0.32 0.45 -0.55 3.86 -0.86 -1.91 115.15 117.49 2kbm h HIS 16 Ca 0.28 -0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.41 2kbm h HIS 16 Cb -0.12 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.27 2kbm h HIS 16 CO -0.00 0.53 -0.27 0.00 0.86 0.00 0.00 177.93 179.05 2kbm h ALA 17 N 1.48 -0.68 0.07 2.45 0.00 -0.62 -3.02 119.26 118.93 2kbm h ALA 17 Ca 0.04 -0.14 -0.26 0.00 0.00 0.00 0.00 54.91 54.55 2kbm h ALA 17 Cb 0.59 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2kbm h ALA 17 CO 0.04 -0.90 -1.26 1.25 0.00 0.00 0.00 179.25 178.39 2kbm h HIS 18 N -0.69 0.28 -0.46 0.00 6.17 -1.59 -3.29 115.15 115.57 2kbm h HIS 18 Ca -0.05 -0.20 0.01 0.00 0.71 0.00 0.00 60.37 60.83 2kbm h HIS 18 Cb 0.56 -0.01 -0.02 0.00 2.52 0.00 0.00 27.41 30.45 2kbm h HIS 18 CO -0.09 1.18 0.30 0.77 0.71 0.00 0.00 177.93 180.81 2kbm h SER 19 N 0.04 0.51 -0.11 3.26 0.02 -1.37 -3.16 113.55 112.74 2kbm h SER 19 Ca -0.13 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2kbm h SER 19 Cb 1.92 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 64.33 2kbm h SER 19 CO 0.16 0.36 0.00 0.61 -1.14 0.00 0.00 176.83 176.82 2kbm n GLY 20 N -1.47 3.90 0.02 -3.77 0.00 -1.14 -4.05 105.19 98.68 2kbm n GLY 20 Ca 0.04 -0.71 0.01 0.00 0.00 0.00 0.00 46.02 45.36 2kbm n GLY 20 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kbm n LYS 21 N -0.71 1.94 -0.87 1.61 4.01 -1.20 -4.72 118.16 118.23 2kbm n LYS 21 Ca 0.12 -1.29 -0.05 0.00 -0.51 0.00 0.00 58.31 56.58 2kbm n LYS 21 Cb 0.56 -0.88 -0.05 0.00 -0.51 0.00 0.00 35.03 34.15 2kbm n LYS 21 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 2kbm n GLU 22 N -0.42 0.00 -2.41 1.97 2.13 -1.21 -5.04 120.64 115.65 2kbm n GLU 22 Ca 0.01 -0.74 0.00 0.00 0.66 0.00 0.00 57.16 57.09 2kbm n GLU 22 Cb 0.36 0.40 0.00 0.00 0.27 0.00 0.00 31.44 32.47 2kbm n GLU 22 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kbm n GLY 23 N 0.00 -0.58 3.72 8.31 0.00 -1.26 -4.82 105.19 110.56 2kbm n GLY 23 Ca -0.21 -0.69 -0.40 0.00 0.00 0.00 0.00 46.02 44.72 2kbm n GLY 23 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kbm n ASP 24 N 0.00 2.63 -0.06 1.61 -0.08 -1.25 -4.71 116.55 114.69 2kbm n ASP 24 Ca 0.00 1.05 -0.08 0.00 -1.51 0.00 0.00 54.79 54.25 2kbm n ASP 24 Cb 0.00 -1.54 -0.02 0.00 2.34 0.00 0.00 41.12 41.91 2kbm n ASP 24 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 2kbm h LYS 25 N 1.82 0.01 -0.06 -0.67 3.64 -1.89 -3.22 116.57 116.20 2kbm h LYS 25 Ca -0.49 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 2kbm h LYS 25 Cb 1.30 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.11 2kbm h LYS 25 CO 0.59 0.01 -0.16 2.48 -2.27 0.00 0.00 179.45 180.09 2kbm n TYR 26 N -5.21 0.19 -4.27 1.91 4.11 -1.26 -3.83 117.16 108.79 2kbm n TYR 26 Ca -0.01 -1.19 -0.17 0.00 -0.00 0.00 0.00 57.90 56.53 2kbm n TYR 26 Cb 0.14 -0.22 -0.14 0.00 -0.00 0.00 0.00 39.34 39.12 2kbm n TYR 26 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 2kbm s LYS 27 N -3.01 0.66 -0.46 -3.48 1.02 -1.21 -4.76 119.74 108.50 2kbm s LYS 27 Ca 0.36 -0.43 -0.21 0.00 0.02 0.00 0.00 55.97 55.71 2kbm s LYS 27 Cb 0.32 -0.61 0.03 0.00 -0.52 0.00 0.00 37.83 37.05 2kbm s LYS 27 CO 0.00 0.16 0.66 -1.17 -0.92 0.00 0.00 175.35 174.08 2kbm s LEU 28 N -0.56 4.57 0.69 3.17 2.96 -0.92 -3.90 118.68 124.68 2kbm s LEU 28 Ca 0.01 -0.46 -0.12 0.00 -0.22 0.00 0.00 54.13 53.33 2kbm s LEU 28 Cb -0.05 -2.68 0.01 0.00 0.50 0.00 0.00 46.19 43.98 2kbm s LEU 28 CO 0.00 -0.84 1.07 -0.44 -1.32 0.00 0.00 176.35 174.83 2kbm s SER 29 N 2.21 5.20 0.49 3.68 0.01 -1.26 -0.91 113.70 123.12 2kbm s SER 29 Ca 0.22 1.76 0.37 0.00 1.31 0.00 0.00 55.95 59.61 2kbm s SER 29 Cb -0.15 -2.52 1.54 0.00 0.21 0.00 0.00 66.02 65.10 2kbm s SER 29 CO 0.18 -1.57 1.63 0.50 0.41 0.00 0.00 173.24 174.39 2kbm h LYS 30 N -0.51 0.05 0.00 12.44 1.63 -1.94 1.55 116.57 129.79 2kbm h LYS 30 Ca -0.45 -0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.21 2kbm h LYS 30 Cb 1.22 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.82 2kbm h LYS 30 CO 0.55 0.03 -0.91 1.57 -3.45 0.00 0.00 179.45 177.25 2kbm h LYS 31 N 0.05 0.00 -0.36 1.90 2.10 -1.93 -3.18 116.57 115.15 2kbm h LYS 31 Ca 0.82 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 59.31 2kbm h LYS 31 Cb 2.91 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 34.23 2kbm h LYS 31 CO -0.23 0.45 -0.39 0.93 -2.00 0.00 0.00 179.45 178.21 2kbm h GLU 32 N 0.00 0.90 -0.64 0.07 5.08 0.19 -2.42 114.58 117.76 2kbm h GLU 32 Ca -0.07 -0.49 -0.08 0.00 -1.00 0.00 0.00 59.36 57.72 2kbm h GLU 32 Cb 1.49 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.74 2kbm h GLU 32 CO 0.06 1.14 0.08 1.37 -1.00 0.00 0.00 179.01 180.66 2kbm h LEU 33 N 0.71 1.04 -0.48 1.33 8.10 -1.51 -2.68 115.31 121.82 2kbm h LEU 33 Ca 0.05 -0.27 -0.04 0.00 0.11 0.00 0.00 57.88 57.73 2kbm h LEU 33 Cb 0.99 -0.28 -0.02 0.00 -0.44 0.00 0.00 40.66 40.91 2kbm h LEU 33 CO 0.10 1.05 0.13 0.50 -4.11 0.00 0.00 178.44 176.11 2kbm h LYS 34 N 0.99 0.77 -0.10 0.17 3.64 -1.51 -2.72 116.57 117.82 2kbm h LYS 34 Ca 0.19 -0.18 -0.22 0.00 -1.27 0.00 0.00 60.65 59.18 2kbm h LYS 34 Cb 0.47 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2kbm h LYS 34 CO 0.02 0.74 -0.80 -0.44 -2.27 0.00 0.00 179.45 176.69 2kbm h ASP 35 N 0.65 0.76 -0.00 4.20 3.32 -1.44 -1.41 116.42 122.51 2kbm h ASP 35 Ca 0.15 -0.52 0.00 0.00 0.02 0.00 0.00 57.03 56.69 2kbm h ASP 35 Cb 0.31 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 2kbm h ASP 35 CO -0.00 1.30 -0.00 0.25 -1.72 0.00 0.00 179.24 179.07 2kbm h LEU 36 N 0.42 -0.01 -0.25 1.55 5.85 -1.47 0.38 115.31 121.79 2kbm h LEU 36 Ca -0.06 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.47 2kbm h LEU 36 Cb 1.42 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.46 2kbm h LEU 36 CO 0.15 -0.00 -0.63 -0.07 -0.34 0.00 0.00 178.44 177.55 2kbm h LEU 37 N -0.00 0.98 -0.29 2.25 3.38 -1.54 -3.32 115.31 116.76 2kbm h LEU 37 Ca 0.00 -0.57 -0.13 0.00 0.09 0.00 0.00 57.88 57.27 2kbm h LEU 37 Cb 0.01 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 2kbm h LEU 37 CO -0.00 1.37 -0.33 -0.61 0.09 0.00 0.00 178.44 178.95 2kbm h GLN 38 N 0.63 0.75 -0.25 1.13 4.15 -1.16 -1.50 115.11 118.86 2kbm h GLN 38 Ca -0.01 -0.41 0.00 0.00 0.77 0.00 0.00 58.65 59.01 2kbm h GLN 38 Cb 1.25 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.94 2kbm h GLN 38 CO 0.14 1.03 0.17 1.15 -1.93 0.00 0.00 178.83 179.39 2kbm h THR 39 N 0.50 1.06 0.00 2.39 2.02 -1.02 -2.15 112.91 115.72 2kbm h THR 39 Ca 0.04 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.10 2kbm h THR 39 Cb 0.91 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 2kbm h THR 39 CO 0.08 0.06 -1.98 -0.62 0.37 0.00 0.00 175.52 173.43 2kbm n GLU 40 N -4.91 0.66 -2.53 6.66 -0.58 -1.25 -4.54 120.64 114.15 2kbm n GLU 40 Ca -0.02 -0.19 -0.19 0.00 -0.42 0.00 0.00 57.16 56.33 2kbm n GLU 40 Cb 0.03 -1.52 0.01 0.00 -0.57 0.00 0.00 31.44 29.39 2kbm n GLU 40 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2kbm n LEU 41 N -2.27 3.40 -0.31 -4.62 4.77 -0.56 -4.87 117.00 112.54 2kbm n LEU 41 Ca -0.04 -4.53 -0.04 0.00 -0.03 0.00 0.00 56.01 51.37 2kbm n LEU 41 Cb 0.57 -0.09 0.08 0.00 -2.33 0.00 0.00 43.42 41.65 2kbm n LEU 41 CO 0.46 1.92 1.18 -1.28 -1.33 0.00 0.00 177.39 178.34 2kbm h SER 42 N 2.70 1.03 0.18 -1.43 0.87 -1.49 -3.12 113.55 112.28 2kbm h SER 42 Ca 0.14 -0.07 -0.30 0.00 -1.23 0.00 0.00 61.79 60.33 2kbm h SER 42 Cb 1.08 -0.26 0.03 0.00 -0.44 0.00 0.00 62.40 62.81 2kbm h SER 42 CO 0.68 0.80 -1.27 0.28 -0.53 0.00 0.00 176.83 176.80 2kbm h SER 43 N 1.17 0.80 0.00 6.23 0.02 -1.89 -3.44 113.55 116.44 2kbm h SER 43 Ca 0.30 -0.88 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 2kbm h SER 43 Cb -0.03 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.26 2kbm h SER 43 CO -0.05 1.62 0.00 0.33 -1.14 0.00 0.00 176.83 177.58 2kbm n PHE 44 N -3.83 0.00 -0.72 3.45 7.35 -1.20 -4.93 117.46 117.59 2kbm n PHE 44 Ca -0.15 0.00 -0.24 0.00 -0.76 0.00 0.00 57.45 56.30 2kbm n PHE 44 Cb 1.01 0.00 0.01 0.00 0.35 0.00 0.00 39.48 40.85 2kbm n PHE 44 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 2kbm n LEU 45 N 0.00 -2.83 -4.66 -2.13 -0.00 -1.19 -4.80 117.00 101.39 2kbm n LEU 45 Ca 0.00 0.30 -0.40 0.00 -0.00 0.00 0.00 56.01 55.91 2kbm n LEU 45 Cb 0.00 -0.51 -0.06 0.00 -0.00 0.00 0.00 43.42 42.85 2kbm n LEU 45 CO 0.00 -3.28 0.30 1.51 -0.00 0.00 0.00 177.39 175.92 2kbm s ASP 46 N -0.62 6.62 0.00 1.96 -4.77 -1.26 -4.84 116.67 113.76 2kbm s ASP 46 Ca 0.32 0.75 0.00 0.00 -3.30 0.00 0.00 52.55 50.32 2kbm s ASP 46 Cb -0.24 -2.32 0.00 0.00 -1.09 0.00 0.00 42.92 39.27 2kbm s ASP 46 CO 0.45 -0.22 0.00 0.52 0.70 0.00 0.00 175.17 176.62 2kbm n VAL 47 N 4.61 0.00 -0.18 2.11 0.31 -1.26 -4.37 118.33 119.55 2kbm n VAL 47 Ca -0.03 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.23 2kbm n VAL 47 Cb 0.50 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.45 2kbm n VAL 47 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2kbm h GLN 48 N 0.00 0.71 0.00 5.55 1.08 -1.89 -0.94 115.11 119.61 2kbm h GLN 48 Ca 0.00 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 2kbm h GLN 48 Cb 0.00 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.28 2kbm h GLN 48 CO 0.00 0.50 0.06 0.87 -0.95 0.00 0.00 178.83 179.31 2kbm h LYS 49 N 0.71 0.00 -1.62 1.46 1.57 -1.93 -3.29 116.57 113.47 2kbm h LYS 49 Ca 0.19 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.71 2kbm h LYS 49 Cb -0.03 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 32.01 2kbm h LYS 49 CO -0.04 0.00 -0.60 0.34 -0.57 0.00 0.00 179.45 178.58 2kbm s ASP 50 N -4.53 0.22 0.29 0.86 -1.08 -0.42 -5.00 116.67 107.02 2kbm s ASP 50 Ca -0.04 -1.28 -0.03 0.00 -0.52 0.00 0.00 52.55 50.69 2kbm s ASP 50 Cb 0.09 1.05 0.42 0.00 -1.46 0.00 0.00 42.92 43.02 2kbm s ASP 50 CO 0.29 -0.23 1.96 0.00 0.52 0.00 0.00 175.17 177.71 2kbm h ALA 51 N 7.06 1.39 -0.91 3.66 0.00 -1.48 0.13 119.26 129.11 2kbm h ALA 51 Ca 0.05 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.97 2kbm h ALA 51 Cb 1.10 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 2kbm h ALA 51 CO 0.17 0.57 0.59 -0.44 0.00 0.00 0.00 179.25 180.13 2kbm h ASP 52 N 1.15 0.89 -0.90 0.00 3.32 -1.94 -1.63 116.42 117.30 2kbm h ASP 52 Ca 0.31 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.38 2kbm h ASP 52 Cb -0.13 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.20 2kbm h ASP 52 CO -0.07 0.55 0.60 0.00 -1.72 0.00 0.00 179.24 178.61 2kbm h ALA 53 N 1.52 1.14 -0.67 3.45 0.00 -1.26 -1.54 119.26 121.91 2kbm h ALA 53 Ca 0.40 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.26 2kbm h ALA 53 Cb 0.27 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2kbm h ALA 53 CO -0.16 0.55 0.44 -0.24 0.00 0.00 0.00 179.25 179.84 2kbm h VAL 54 N 1.22 1.17 -0.62 0.00 3.04 -1.19 -2.24 116.25 117.63 2kbm h VAL 54 Ca 0.33 -0.31 -0.10 0.00 -1.01 0.00 0.00 66.70 65.62 2kbm h VAL 54 Cb -0.14 0.19 -0.02 0.00 -2.01 0.00 0.00 31.29 29.31 2kbm h VAL 54 CO -0.07 0.16 0.00 0.44 -1.01 0.00 0.00 177.57 177.10 2kbm h ASP 55 N 0.90 1.06 -0.72 3.17 3.32 -1.19 -1.90 116.42 121.06 2kbm h ASP 55 Ca 0.25 -0.30 -0.07 0.00 0.02 0.00 0.00 57.03 56.92 2kbm h ASP 55 Cb -0.09 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.14 2kbm h ASP 55 CO -0.05 1.11 0.18 0.11 -1.72 0.00 0.00 179.24 178.86 2kbm h LYS 56 N 0.99 1.15 0.15 3.56 1.79 -0.91 -1.68 116.57 121.62 2kbm h LYS 56 Ca 0.18 -0.28 -0.01 0.00 -2.18 0.00 0.00 60.65 58.36 2kbm h LYS 56 Cb 0.56 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 2kbm h LYS 56 CO 0.03 1.01 -0.07 0.82 -1.08 0.00 0.00 179.45 180.16 2kbm h ILE 57 N 1.09 1.00 -0.53 1.86 2.04 -1.35 -2.97 117.51 118.66 2kbm h ILE 57 Ca 0.23 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 2kbm h ILE 57 Cb 0.37 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 2kbm h ILE 57 CO 0.00 0.21 0.27 -0.03 0.00 0.00 0.00 178.15 178.60 2kbm h MET 58 N -0.66 0.73 -0.25 2.37 4.05 -1.36 -2.20 114.93 117.60 2kbm h MET 58 Ca -0.02 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.32 2kbm h MET 58 Cb 0.49 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.13 2kbm h MET 58 CO 0.03 0.55 0.17 -0.22 0.23 0.00 0.00 176.91 177.67 2kbm h LYS 59 N 0.73 0.33 -0.01 0.39 3.64 -1.32 0.97 116.57 121.30 2kbm h LYS 59 Ca 0.19 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2kbm h LYS 59 Cb 0.05 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2kbm h LYS 59 CO -0.03 0.22 0.07 0.93 -2.27 0.00 0.00 179.45 178.37 2kbm h GLU 60 N 0.34 0.00 0.00 1.90 4.39 -1.24 -0.76 114.58 119.21 2kbm h GLU 60 Ca 0.09 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.60 2kbm h GLU 60 Cb -0.04 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.58 2kbm h GLU 60 CO -0.02 0.00 -1.91 1.28 -1.16 0.00 0.00 179.01 177.20 2kbm n LEU 61 N -3.15 0.34 -2.04 1.33 4.77 0.95 -4.26 117.00 114.94 2kbm n LEU 61 Ca -0.03 0.15 -0.06 0.00 -0.03 0.00 0.00 56.01 56.04 2kbm n LEU 61 Cb 0.14 0.20 -0.08 0.00 -2.33 0.00 0.00 43.42 41.34 2kbm n LEU 61 CO 0.20 0.23 1.09 0.47 -1.33 0.00 0.00 177.39 178.05 2kbm n ASP 62 N -2.67 3.47 -0.35 -1.43 8.00 0.30 -4.30 116.55 119.56 2kbm n ASP 62 Ca -0.16 -2.09 -0.03 0.00 0.71 0.00 0.00 54.79 53.22 2kbm n ASP 62 Cb 0.88 -0.89 0.10 0.00 -0.02 0.00 0.00 41.12 41.19 2kbm n ASP 62 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2kbm h GLU 63 N 3.50 1.25 0.00 -1.24 4.39 -1.74 0.14 114.58 120.88 2kbm h GLU 63 Ca 0.09 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 2kbm h GLU 63 Cb 0.91 -0.28 -0.00 0.00 -0.10 0.00 0.00 28.75 29.28 2kbm h GLU 63 CO 0.24 0.83 -0.15 -0.97 -1.16 0.00 0.00 179.01 177.80 2kbm h ASN 64 N 1.28 0.00 -1.34 1.42 -1.24 -1.96 -3.47 115.58 110.28 2kbm h ASN 64 Ca 0.35 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.32 2kbm h ASN 64 Cb -0.15 0.00 0.01 0.00 0.73 0.00 0.00 38.32 38.91 2kbm h ASN 64 CO -0.08 0.15 -0.07 0.61 -1.29 0.00 0.00 177.43 176.75 2kbm n GLY 65 N 0.88 0.74 0.01 1.57 0.00 0.48 -4.96 105.19 103.92 2kbm n GLY 65 Ca 0.03 -0.61 0.11 0.00 0.00 0.00 0.00 46.02 45.55 2kbm n GLY 65 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kbm n ASP 66 N 1.11 0.69 0.00 1.61 5.75 -1.26 -4.96 116.55 119.49 2kbm n ASP 66 Ca -0.00 -0.48 0.00 0.00 -0.01 0.00 0.00 54.79 54.30 2kbm n ASP 66 Cb 0.51 0.65 0.00 0.00 -1.03 0.00 0.00 41.12 41.25 2kbm n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kbm n GLY 67 N 1.46 0.75 3.25 6.12 0.00 -1.26 -5.03 105.19 110.48 2kbm n GLY 67 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 2kbm n GLY 67 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kbm s GLU 68 N -0.49 1.40 -0.14 1.61 8.01 -1.26 -3.61 118.70 124.21 2kbm s GLU 68 Ca 0.00 -1.74 -0.02 0.00 0.01 0.00 0.00 54.97 53.23 2kbm s GLU 68 Cb 0.00 0.30 -0.02 0.00 -4.31 0.00 0.00 34.13 30.10 2kbm s GLU 68 CO 0.00 -0.49 -0.09 0.08 0.01 0.00 0.00 175.26 174.77 2kbm s VAL 69 N -3.91 3.39 0.16 2.63 1.01 -0.08 -4.69 120.40 118.91 2kbm s VAL 69 Ca 0.39 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.79 2kbm s VAL 69 Cb 0.05 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 2kbm s VAL 69 CO 0.17 0.51 0.38 -1.81 0.00 0.00 0.00 175.10 174.35 2kbm s ASP 70 N 0.40 6.46 0.50 3.32 1.01 -1.26 -2.17 116.67 124.93 2kbm s ASP 70 Ca -0.08 0.55 0.35 0.00 0.71 0.00 0.00 52.55 54.09 2kbm s ASP 70 Cb -0.15 -2.07 1.49 0.00 1.01 0.00 0.00 42.92 43.20 2kbm s ASP 70 CO 0.04 0.03 1.71 0.15 0.21 0.00 0.00 175.17 177.31 2kbm h PHE 71 N 2.63 0.22 0.00 4.23 3.57 -1.99 2.44 116.94 128.04 2kbm h PHE 71 Ca -0.46 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 60.97 2kbm h PHE 71 Cb 1.17 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 2kbm h PHE 71 CO 0.60 -0.03 -0.35 1.96 -2.23 0.00 0.00 178.31 178.26 2kbm h GLN 72 N 0.08 0.00 0.20 1.11 4.20 -2.00 -2.35 115.11 116.35 2kbm h GLN 72 Ca 0.71 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 59.06 2kbm h GLN 72 Cb 2.53 0.00 0.01 0.00 0.30 0.00 0.00 27.48 30.33 2kbm h GLN 72 CO -0.14 0.35 -1.72 0.93 -0.67 0.00 0.00 178.83 177.57 2kbm h GLU 73 N 0.00 0.42 -0.13 1.46 5.08 0.37 -3.26 114.58 118.51 2kbm h GLU 73 Ca -0.00 -0.72 -0.05 0.00 -1.00 0.00 0.00 59.36 57.59 2kbm h GLU 73 Cb 0.92 0.27 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 2kbm h GLU 73 CO 0.05 1.34 -0.10 0.35 -1.00 0.00 0.00 179.01 179.65 2kbm h PHE 74 N 0.11 0.36 -1.00 4.33 3.04 -0.73 -3.02 116.94 120.03 2kbm h PHE 74 Ca -0.34 -0.10 0.01 0.00 3.98 0.00 0.00 57.97 61.53 2kbm h PHE 74 Cb 2.11 -0.08 -0.05 0.00 2.56 0.00 0.00 35.95 40.49 2kbm h PHE 74 CO 0.11 0.67 0.66 0.28 -2.02 0.00 0.00 178.31 178.01 2kbm h VAL 75 N -0.06 1.25 -0.79 1.41 2.07 -1.60 -0.64 116.25 117.89 2kbm h VAL 75 Ca 0.03 -0.46 0.05 0.00 0.82 0.00 0.00 66.70 67.14 2kbm h VAL 75 Cb 0.59 -0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.10 2kbm h VAL 75 CO 0.03 0.25 0.52 0.58 0.02 0.00 0.00 177.57 178.96 2kbm h VAL 76 N 1.35 1.07 0.30 2.57 2.07 -1.59 -2.70 116.25 119.31 2kbm h VAL 76 Ca 0.37 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 2kbm h VAL 76 Cb -0.15 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.72 2kbm h VAL 76 CO -0.08 0.16 -0.14 0.25 0.02 0.00 0.00 177.57 177.78 2kbm h LEU 77 N 0.90 -0.34 -1.54 2.57 7.12 -1.00 -2.08 115.31 120.95 2kbm h LEU 77 Ca 0.33 -0.20 0.11 0.00 0.13 0.00 0.00 57.88 58.25 2kbm h LEU 77 Cb 0.16 0.09 -0.05 0.00 -0.53 0.00 0.00 40.66 40.34 2kbm h LEU 77 CO -0.11 0.11 0.46 -0.37 -0.13 0.00 0.00 178.44 178.40 2kbm h VAL 78 N -0.89 0.88 -0.44 1.05 -1.51 -1.41 0.11 116.25 114.04 2kbm h VAL 78 Ca -0.04 -0.17 -0.12 0.00 -1.23 0.00 0.00 66.70 65.13 2kbm h VAL 78 Cb 0.52 0.33 -0.01 0.00 -2.13 0.00 0.00 31.29 30.00 2kbm h VAL 78 CO 0.07 0.09 -0.22 0.00 -1.23 0.00 0.00 177.57 176.28 2kbm h ALA 79 N 1.65 0.78 0.00 5.19 0.00 -1.50 -2.93 119.26 122.45 2kbm h ALA 79 Ca 0.33 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2kbm h ALA 79 Cb 0.59 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2kbm h ALA 79 CO -0.11 0.65 -0.43 0.00 0.00 0.00 0.00 179.25 179.37 2kbm h ALA 80 N 0.98 0.78 0.16 0.00 0.00 -0.09 -3.18 119.26 117.91 2kbm h ALA 80 Ca 0.10 -0.39 -0.32 0.00 0.00 0.00 0.00 54.91 54.30 2kbm h ALA 80 Cb 0.76 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2kbm h ALA 80 CO 0.06 0.54 -1.63 -0.07 0.00 0.00 0.00 179.25 178.15 2kbm h LEU 81 N 0.00 0.51 -0.74 0.00 3.38 -1.26 -3.18 115.31 114.01 2kbm h LEU 81 Ca -0.00 -0.91 0.07 0.00 0.09 0.00 0.00 57.88 57.13 2kbm h LEU 81 Cb 1.21 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.73 2kbm h LEU 81 CO 0.06 1.73 0.43 0.00 0.09 0.00 0.00 178.44 180.74 2kbm h THR 82 N -0.06 0.96 -1.00 0.22 1.03 -1.64 -0.33 112.91 112.09 2kbm h THR 82 Ca -0.33 -0.26 0.01 0.00 -0.01 0.00 0.00 66.41 65.81 2kbm h THR 82 Cb 1.96 0.13 -0.05 0.00 -1.07 0.00 0.00 68.15 69.12 2kbm h THR 82 CO 0.13 0.14 0.66 -0.37 -0.01 0.00 0.00 175.52 176.07 2kbm h VAL 83 N 0.76 1.26 0.00 0.00 -1.51 -1.67 0.06 116.25 115.15 2kbm h VAL 83 Ca 0.34 -0.47 -0.01 0.00 -1.23 0.00 0.00 66.70 65.34 2kbm h VAL 83 Cb 0.23 -0.22 -0.00 0.00 -2.13 0.00 0.00 31.29 29.17 2kbm h VAL 83 CO -0.20 0.25 -0.03 0.00 -1.23 0.00 0.00 177.57 176.36 2kbm h ALA 84 N 1.37 1.64 -0.37 5.19 0.00 -1.06 -1.55 119.26 124.48 2kbm h ALA 84 Ca 0.37 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 55.08 2kbm h ALA 84 Cb -0.16 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2kbm h ALA 84 CO -0.08 0.04 -0.42 0.00 0.00 0.00 0.00 179.25 178.80 2kbm h ASN 86 N 0.74 1.03 -0.92 0.00 -0.73 -1.10 0.38 115.58 114.98 2kbm h ASN 86 Ca 0.05 -0.03 -0.01 0.00 1.87 0.00 0.00 56.30 58.18 2kbm h ASN 86 Cb 1.01 -0.26 -0.04 0.00 0.27 0.00 0.00 38.32 39.30 2kbm h ASN 86 CO 0.10 0.75 0.52 0.78 -0.37 0.00 0.00 177.43 179.21 2kbm h ASN 87 N 1.22 1.14 0.01 1.15 4.21 -1.38 -1.55 115.58 120.37 2kbm h ASN 87 Ca 0.33 -0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.75 2kbm h ASN 87 Cb -0.14 -0.29 0.00 0.00 -1.12 0.00 0.00 38.32 36.77 2kbm h ASN 87 CO -0.07 0.90 -0.01 0.49 -1.29 0.00 0.00 177.43 177.44 2kbm n PHE 88 N -4.34 0.00 0.06 1.19 3.01 -0.66 -3.77 117.46 112.96 2kbm n PHE 88 Ca 0.10 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.38 2kbm n PHE 88 Cb 0.08 -0.01 -0.14 0.00 -0.01 0.00 0.00 39.48 39.40 2kbm n PHE 88 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 2kbm h PHE 89 N 1.85 0.50 -0.01 1.38 3.04 0.77 -3.33 116.94 121.14 2kbm h PHE 89 Ca 0.00 -0.37 0.00 0.00 3.98 0.00 0.00 57.97 61.58 2kbm h PHE 89 Cb 0.41 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.90 2kbm h PHE 89 CO 0.00 1.44 -0.11 0.91 -2.02 0.00 0.00 178.31 178.52 2kbm n TRP 90 N -3.47 0.00 -0.38 0.41 7.02 -1.16 -4.13 117.44 115.74 2kbm n TRP 90 Ca -0.18 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.28 2kbm n TRP 90 Cb 1.05 -0.05 0.11 0.00 -2.42 0.00 0.00 31.31 30.00 2kbm n TRP 90 CO 0.00 0.00 0.00 1.05 -2.02 0.00 0.00 177.69 176.72 2kbm h GLU 91 N 1.93 1.32 -2.98 -0.99 4.11 -1.67 -2.91 114.58 113.38 2kbm h GLU 91 Ca 0.00 -0.08 -0.76 0.00 0.07 0.00 0.00 59.36 58.59 2kbm h GLU 91 Cb 0.52 -0.30 -0.17 0.00 0.50 0.00 0.00 28.75 29.30 2kbm h GLU 91 CO 0.00 0.87 1.96 -1.71 0.07 0.00 0.00 179.01 180.20 2kbm n ASN 92 N -4.39 6.60 0.00 3.06 2.85 -1.26 -5.16 115.26 116.96 2kbm n ASN 92 Ca 0.12 -3.21 0.00 0.00 -0.11 0.00 0.00 54.58 51.38 2kbm n ASN 92 Cb 0.01 -1.38 0.00 0.00 1.24 0.00 0.00 39.78 39.65 2kbm n ASN 92 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61