#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k2h n SER 2 N 0.00 1.86 -0.38 1.61 3.41 -1.26 -4.11 113.62 114.74 1k2h n SER 2 Ca 0.00 -1.60 -0.02 0.00 -0.26 0.00 0.00 58.87 56.99 1k2h n SER 2 Cb 0.00 0.01 0.11 0.00 -0.26 0.00 0.00 64.21 64.07 1k2h n SER 2 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1k2h h GLU 3 N 2.90 1.33 -0.43 4.33 3.07 -2.06 0.52 114.58 124.24 1k2h h GLU 3 Ca 0.00 -0.08 -0.15 0.00 -0.50 0.00 0.00 59.36 58.63 1k2h h GLU 3 Cb 0.62 -0.30 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 1k2h h GLU 3 CO 0.00 0.88 -0.32 -0.07 -1.40 0.00 0.00 179.01 178.10 1k2h h LEU 4 N 1.37 1.02 -0.69 1.33 3.38 -2.02 -2.88 115.31 116.82 1k2h h LEU 4 Ca 0.37 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1k2h h LEU 4 Cb -0.16 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.28 1k2h h LEU 4 CO -0.08 1.24 0.11 -0.08 0.09 0.00 0.00 178.44 179.73 1k2h h GLU 5 N 0.81 1.13 -1.01 1.13 4.81 -1.59 -2.79 114.58 117.07 1k2h h GLU 5 Ca 0.08 -0.30 0.01 0.00 -0.13 0.00 0.00 59.36 59.02 1k2h h GLU 5 Cb 0.92 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 30.11 1k2h h GLU 5 CO 0.09 1.02 0.67 1.15 -0.73 0.00 0.00 179.01 181.21 1k2h h THR 6 N 1.05 1.26 -0.54 0.32 2.02 -0.82 -2.52 112.91 113.68 1k2h h THR 6 Ca 0.21 -0.47 0.01 0.00 0.77 0.00 0.00 66.41 66.93 1k2h h THR 6 Cb 0.44 -0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 66.60 1k2h h THR 6 CO 0.01 0.25 0.36 0.00 0.37 0.00 0.00 175.52 176.51 1k2h h ALA 7 N 1.37 0.69 -0.90 6.16 0.00 -1.28 -2.28 119.26 123.02 1k2h h ALA 7 Ca 0.37 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.25 1k2h h ALA 7 Cb -0.15 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.37 1k2h h ALA 7 CO -0.08 0.13 0.59 0.52 0.00 0.00 0.00 179.25 180.41 1k2h h MET 8 N 0.74 1.18 -1.01 0.00 2.07 -1.39 -1.71 114.93 114.81 1k2h h MET 8 Ca 0.20 -0.07 0.01 0.00 -2.07 0.00 0.00 59.70 57.77 1k2h h MET 8 Cb -0.09 -0.27 -0.05 0.00 -1.87 0.00 0.00 31.60 29.33 1k2h h MET 8 CO -0.04 0.78 0.67 0.93 1.07 0.00 0.00 176.91 180.32 1k2h h GLU 9 N 1.22 1.33 -0.65 1.72 5.08 -1.14 -0.81 114.58 121.33 1k2h h GLU 9 Ca 0.33 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.57 1k2h h GLU 9 Cb -0.14 -0.30 -0.03 0.00 0.50 0.00 0.00 28.75 28.78 1k2h h GLU 9 CO -0.07 0.88 0.24 1.15 -1.00 0.00 0.00 179.01 180.20 1k2h h THR 10 N 1.37 1.23 -1.01 1.13 2.02 -1.04 -2.46 112.91 114.15 1k2h h THR 10 Ca 0.37 -0.75 0.01 0.00 0.77 0.00 0.00 66.41 66.80 1k2h h THR 10 Cb -0.16 0.48 -0.05 0.00 -1.74 0.00 0.00 68.15 66.68 1k2h h THR 10 CO -0.08 0.30 0.67 -0.07 0.37 0.00 0.00 175.52 176.71 1k2h h LEU 11 N 0.94 1.16 -0.50 2.58 4.07 -0.50 -2.32 115.31 120.74 1k2h h LEU 11 Ca 0.22 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.15 1k2h h LEU 11 Cb 0.21 -0.29 -0.02 0.00 1.08 0.00 0.00 40.66 41.64 1k2h h LEU 11 CO -0.02 0.84 0.32 0.40 -1.08 0.00 0.00 178.44 178.91 1k2h h ILE 12 N 1.37 1.13 -0.43 1.22 1.08 -0.93 -2.21 117.51 118.74 1k2h h ILE 12 Ca 0.37 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 64.59 1k2h h ILE 12 Cb -0.16 0.41 -0.02 0.00 -3.07 0.00 0.00 36.82 33.98 1k2h h ILE 12 CO -0.08 0.13 0.28 -1.13 -0.69 0.00 0.00 178.15 176.66 1k2h h ASN 13 N 0.67 0.50 -0.39 1.72 -0.73 -1.33 -2.52 115.58 113.50 1k2h h ASN 13 Ca 0.18 -0.02 -0.12 0.00 1.87 0.00 0.00 56.30 58.21 1k2h h ASN 13 Cb -0.07 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 38.38 1k2h h ASN 13 CO -0.04 0.37 -0.19 0.58 -0.37 0.00 0.00 177.43 177.78 1k2h h VAL 14 N 0.58 1.27 -0.98 2.57 2.07 -1.34 -2.82 116.25 117.60 1k2h h VAL 14 Ca 0.16 -1.32 0.03 0.00 0.82 0.00 0.00 66.70 66.38 1k2h h VAL 14 Cb -0.05 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 1k2h h VAL 14 CO -0.03 0.45 0.64 -0.26 0.02 0.00 0.00 177.57 178.39 1k2h h PHE 15 N 0.77 1.20 -0.40 1.57 -1.00 -1.22 -0.70 116.94 117.16 1k2h h PHE 15 Ca 0.11 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.92 1k2h h PHE 15 Cb 0.73 -0.40 -0.02 0.00 3.61 0.00 0.00 35.95 39.86 1k2h h PHE 15 CO 0.04 0.71 0.26 1.25 -1.61 0.00 0.00 178.31 178.96 1k2h h HIS 16 N 1.25 0.50 0.49 -0.55 2.76 -1.19 0.43 115.15 118.84 1k2h h HIS 16 Ca 0.38 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.54 1k2h h HIS 16 Cb -0.03 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 28.76 1k2h h HIS 16 CO -0.00 0.31 -0.24 0.00 -1.30 0.00 0.00 177.93 176.71 1k2h h ALA 17 N 1.75 -0.66 -0.09 5.26 0.00 -1.06 2.43 119.26 126.89 1k2h h ALA 17 Ca 0.15 -0.14 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 1k2h h ALA 17 Cb -0.06 0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1k2h h ALA 17 CO -0.03 -0.87 -0.85 0.45 0.00 0.00 0.00 179.25 177.95 1k2h h HIS 18 N -0.66 1.04 0.00 0.00 3.86 -1.51 -3.23 115.15 114.65 1k2h h HIS 18 Ca -0.07 -0.50 0.00 0.00 -1.16 0.00 0.00 60.37 58.65 1k2h h HIS 18 Cb 0.51 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1k2h h HIS 18 CO -0.04 1.33 -0.01 0.77 0.86 0.00 0.00 177.93 180.84 1k2h h SER 19 N 0.45 0.00 -1.00 2.45 0.02 -0.89 -3.30 113.55 111.28 1k2h h SER 19 Ca -0.08 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1k2h h SER 19 Cb 1.49 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.98 1k2h h SER 19 CO 0.17 0.00 0.66 1.23 -1.14 0.00 0.00 176.83 177.75 1k2h h GLY 20 N 4.09 1.40 1.91 -3.77 0.00 0.42 -0.09 103.07 107.03 1k2h h GLY 20 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1k2h h GLY 20 CO 0.00 0.51 0.00 0.28 0.00 0.00 0.00 176.54 177.33 1k2h n LYS 21 N -4.39 0.08 -2.93 4.80 4.76 -1.24 -4.67 118.16 114.57 1k2h n LYS 21 Ca 0.12 0.08 -0.41 0.00 -2.87 0.00 0.00 58.31 55.23 1k2h n LYS 21 Cb 0.01 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 31.66 1k2h n LYS 21 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1k2h s GLU 22 N -2.91 4.48 0.35 1.97 2.56 -0.05 -4.92 118.70 120.19 1k2h s GLU 22 Ca 0.14 1.07 0.08 0.00 0.00 0.00 0.00 54.97 56.27 1k2h s GLU 22 Cb 0.16 -3.45 0.80 0.00 2.00 0.00 0.00 34.13 33.64 1k2h s GLU 22 CO 0.43 0.02 1.86 0.78 -0.56 0.00 0.00 175.26 177.80 1k2h h GLY 23 N 6.77 1.25 -5.73 -1.50 0.00 -1.83 -3.37 103.07 98.67 1k2h h GLY 23 Ca -0.41 -0.31 -0.59 0.00 0.00 0.00 0.00 47.33 46.02 1k2h h GLY 23 CO 0.75 0.09 0.12 -0.35 0.00 0.00 0.00 176.54 177.16 1k2h s ASP 24 N -5.76 6.76 0.53 0.19 -1.08 -1.26 -4.93 116.67 111.12 1k2h s ASP 24 Ca -0.10 0.93 0.18 0.00 -0.52 0.00 0.00 52.55 53.04 1k2h s ASP 24 Cb 0.22 -2.36 1.35 0.00 -1.46 0.00 0.00 42.92 40.67 1k2h s ASP 24 CO 0.79 -0.24 2.17 0.11 0.52 0.00 0.00 175.17 178.52 1k2h h LYS 25 N 7.29 0.00 -6.60 4.34 1.57 -1.82 -3.43 116.57 117.91 1k2h h LYS 25 Ca -0.33 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 57.94 1k2h h LYS 25 Cb 1.15 0.00 0.23 0.00 0.08 0.00 0.00 32.23 33.69 1k2h h LYS 25 CO 0.78 0.00 -1.06 0.66 -0.57 0.00 0.00 179.45 179.26 1k2h n TYR 26 N -4.43 -1.85 0.00 -1.35 4.02 -1.26 -4.84 117.16 107.45 1k2h n TYR 26 Ca -0.03 0.20 0.00 0.00 -0.01 0.00 0.00 57.90 58.06 1k2h n TYR 26 Cb 0.09 -1.64 0.00 0.00 -0.02 0.00 0.00 39.34 37.78 1k2h n TYR 26 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1k2h n LYS 27 N -1.06 0.00 -3.66 -0.72 3.00 -0.77 -4.83 118.16 110.12 1k2h n LYS 27 Ca 0.03 0.01 0.04 0.00 -0.00 0.00 0.00 58.31 58.39 1k2h n LYS 27 Cb 0.59 -0.52 0.01 0.00 0.00 0.00 0.00 35.03 35.10 1k2h n LYS 27 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1k2h n LEU 28 N -0.04 0.00 -4.58 3.14 -0.00 -1.14 -4.64 117.00 109.75 1k2h n LEU 28 Ca 0.00 -0.02 -0.38 0.00 -0.00 0.00 0.00 56.01 55.61 1k2h n LEU 28 Cb 0.00 1.24 0.04 0.00 -0.00 0.00 0.00 43.42 44.70 1k2h n LEU 28 CO 0.00 -0.01 0.43 -1.20 -0.00 0.00 0.00 177.39 176.61 1k2h n SER 29 N -0.82 0.38 -0.36 1.45 7.64 -1.26 -1.97 113.62 118.68 1k2h n SER 29 Ca 0.06 0.82 -0.02 0.00 1.01 0.00 0.00 58.87 60.74 1k2h n SER 29 Cb 0.47 -1.33 0.12 0.00 -1.01 0.00 0.00 64.21 62.46 1k2h n SER 29 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1k2h h LYS 30 N 0.57 1.30 -0.75 1.43 1.57 -1.39 0.19 116.57 119.49 1k2h h LYS 30 Ca -0.47 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.23 1k2h h LYS 30 Cb 1.37 -0.29 -0.04 0.00 0.08 0.00 0.00 32.23 33.35 1k2h h LYS 30 CO 0.51 0.87 0.50 0.87 -0.57 0.00 0.00 179.45 181.62 1k2h h LYS 31 N 1.34 0.99 -0.37 3.15 1.79 -1.39 -2.14 116.57 119.95 1k2h h LYS 31 Ca 0.36 -0.06 -0.17 0.00 -2.18 0.00 0.00 60.65 58.60 1k2h h LYS 31 Cb -0.15 -0.22 -0.00 0.00 -1.58 0.00 0.00 32.23 30.28 1k2h h LYS 31 CO -0.08 0.66 -0.42 1.49 -1.08 0.00 0.00 179.45 180.02 1k2h h GLU 32 N 1.02 0.93 -0.62 3.15 4.57 -1.71 -3.14 114.58 118.79 1k2h h GLU 32 Ca 0.27 -0.51 0.13 0.00 -1.18 0.00 0.00 59.36 58.07 1k2h h GLU 32 Cb -0.12 0.03 -0.11 0.00 -0.16 0.00 0.00 28.75 28.39 1k2h h GLU 32 CO -0.06 1.17 -0.06 1.25 -1.18 0.00 0.00 179.01 180.13 1k2h h LEU 33 N 0.75 -0.40 0.32 1.64 7.12 0.01 -1.78 115.31 122.98 1k2h h LEU 33 Ca 0.05 0.17 -0.02 0.00 0.13 0.00 0.00 57.88 58.21 1k2h h LEU 33 Cb 1.02 0.32 0.00 0.00 -0.53 0.00 0.00 40.66 41.47 1k2h h LEU 33 CO 0.10 -0.16 -0.15 0.50 -0.13 0.00 0.00 178.44 178.60 1k2h h LYS 34 N 0.06 -0.41 -0.98 1.25 3.11 -1.43 -2.35 116.57 115.82 1k2h h LYS 34 Ca 0.31 0.03 0.29 0.00 -2.81 0.00 0.00 60.65 58.47 1k2h h LYS 34 Cb 0.50 0.09 -0.04 0.00 -1.00 0.00 0.00 32.23 31.79 1k2h h LYS 34 CO -0.57 -0.20 0.71 -0.44 -2.81 0.00 0.00 179.45 176.14 1k2h h ASP 35 N -0.55 0.00 0.16 4.20 3.32 -1.34 -1.86 116.42 120.36 1k2h h ASP 35 Ca -0.04 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1k2h h ASP 35 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1k2h h ASP 35 CO 0.07 0.00 -0.08 -0.07 -1.72 0.00 0.00 179.24 177.44 1k2h h LEU 36 N 0.00 -0.18 0.16 1.55 3.38 -0.83 -2.97 115.31 116.42 1k2h h LEU 36 Ca 0.47 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 1k2h h LEU 36 Cb 1.89 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.68 1k2h h LEU 36 CO -0.00 0.35 -0.08 -0.07 0.09 0.00 0.00 178.44 178.72 1k2h h LEU 37 N -1.02 -0.18 -2.66 1.67 3.38 -1.12 -0.92 115.31 114.46 1k2h h LEU 37 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1k2h h LEU 37 Cb 0.32 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1k2h h LEU 37 CO 0.04 -0.13 0.11 -0.61 0.09 0.00 0.00 178.44 177.94 1k2h h GLN 38 N -0.21 0.00 0.07 1.13 4.15 -1.52 -1.38 115.11 117.34 1k2h h GLN 38 Ca -0.02 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.07 1k2h h GLN 38 Cb 0.16 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 1k2h h GLN 38 CO 0.04 0.00 -1.82 1.15 -1.93 0.00 0.00 178.83 176.27 1k2h h THR 39 N 0.00 0.78 0.00 2.39 2.02 -1.05 -3.34 112.91 113.70 1k2h h THR 39 Ca 0.00 -2.55 0.00 0.00 0.77 0.00 0.00 66.41 64.63 1k2h h THR 39 Cb 0.22 2.49 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 1k2h h THR 39 CO -0.00 0.70 -0.08 -1.84 0.37 0.00 0.00 175.52 174.67 1k2h n GLU 40 N -3.27 0.00 -1.90 6.66 0.28 -0.47 -3.62 120.64 118.32 1k2h n GLU 40 Ca -0.23 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.44 1k2h n GLU 40 Cb 1.05 -1.50 0.04 0.00 1.43 0.00 0.00 31.44 32.46 1k2h n GLU 40 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1k2h n LEU 41 N -1.51 6.48 -0.38 -1.84 4.77 -0.70 -4.79 117.00 119.04 1k2h n LEU 41 Ca 0.07 -4.75 0.30 0.00 -0.03 0.00 0.00 56.01 51.60 1k2h n LEU 41 Cb 0.34 -0.77 0.58 0.00 -2.33 0.00 0.00 43.42 41.24 1k2h n LEU 41 CO 0.28 1.85 1.22 -1.28 -1.33 0.00 0.00 177.39 178.14 1k2h h SER 42 N 2.48 0.33 0.78 -1.43 0.87 -1.74 2.29 113.55 117.14 1k2h h SER 42 Ca 0.48 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 61.16 1k2h h SER 42 Cb 0.72 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 1k2h h SER 42 CO 1.23 -0.06 0.00 -0.24 -0.53 0.00 0.00 176.83 177.23 1k2h n SER 43 N -4.67 0.64 -0.15 6.23 2.88 -1.26 -3.09 113.62 114.21 1k2h n SER 43 Ca 0.31 0.65 -0.06 0.00 -1.33 0.00 0.00 58.87 58.44 1k2h n SER 43 Cb 1.17 -0.79 0.02 0.00 -0.75 0.00 0.00 64.21 63.86 1k2h n SER 43 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1k2h h PHE 44 N 0.00 0.52 0.00 0.66 3.57 0.35 0.51 116.94 122.55 1k2h h PHE 44 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1k2h h PHE 44 Cb 0.39 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1k2h h PHE 44 CO 0.00 0.30 0.00 1.47 -2.23 0.00 0.00 178.31 177.85 1k2h n LEU 45 N -4.82 0.00 -0.37 0.59 -0.00 -1.18 -2.27 117.00 108.95 1k2h n LEU 45 Ca 0.02 0.45 -0.02 0.00 -0.00 0.00 0.00 56.01 56.46 1k2h n LEU 45 Cb 0.06 -0.45 0.11 0.00 -0.00 0.00 0.00 43.42 43.15 1k2h n LEU 45 CO 0.33 -0.32 1.29 -0.78 -0.00 0.00 0.00 177.39 177.90 1k2h h ASP 46 N 0.00 1.15 -0.47 1.45 1.82 -0.10 -3.40 116.42 116.88 1k2h h ASP 46 Ca 0.00 -0.03 -0.14 0.00 -0.39 0.00 0.00 57.03 56.47 1k2h h ASP 46 Cb 0.12 -0.29 -0.15 0.00 0.68 0.00 0.00 39.33 39.69 1k2h h ASP 46 CO 0.00 0.84 -0.39 0.55 -1.61 0.00 0.00 179.24 178.63 1k2h n VAL 47 N -4.38 0.00 -2.17 2.25 3.14 -0.96 -5.09 118.33 111.12 1k2h n VAL 47 Ca 0.12 -0.99 -0.42 0.00 -2.96 0.00 0.00 64.34 60.09 1k2h n VAL 47 Cb 0.02 1.09 -0.03 0.00 -1.06 0.00 0.00 33.84 33.86 1k2h n VAL 47 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1k2h s GLN 48 N 0.76 4.23 -0.17 1.45 -2.07 -1.22 -4.35 119.66 118.30 1k2h s GLN 48 Ca 0.29 2.01 -0.05 0.00 -1.82 0.00 0.00 55.36 55.79 1k2h s GLN 48 Cb 0.11 -3.74 -0.09 0.00 -1.09 0.00 0.00 33.01 28.20 1k2h s GLN 48 CO -0.12 -0.70 -0.19 1.63 -1.32 0.00 0.00 175.29 174.59 1k2h n LYS 49 N 6.18 0.38 -3.31 9.60 5.02 1.38 -4.89 118.16 132.52 1k2h n LYS 49 Ca 0.15 0.14 -0.46 0.00 -2.02 0.00 0.00 58.31 56.11 1k2h n LYS 49 Cb 0.43 -1.20 -0.05 0.00 -0.02 0.00 0.00 35.03 34.19 1k2h n LYS 49 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1k2h s ASP 50 N -6.18 6.18 0.39 4.39 1.01 -0.90 -4.88 116.67 116.68 1k2h s ASP 50 Ca -0.23 -1.79 0.25 0.00 0.71 0.00 0.00 52.55 51.49 1k2h s ASP 50 Cb 0.08 -2.21 0.61 0.00 1.01 0.00 0.00 42.92 42.41 1k2h s ASP 50 CO 0.33 -0.86 1.70 0.00 0.21 0.00 0.00 175.17 176.56 1k2h h ALA 51 N 8.88 1.00 -0.37 5.23 0.00 -1.90 -3.22 119.26 128.89 1k2h h ALA 51 Ca -0.30 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 1k2h h ALA 51 Cb 1.10 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1k2h h ALA 51 CO 1.04 0.00 -0.41 -0.44 0.00 0.00 0.00 179.25 179.43 1k2h h ASP 52 N 0.00 0.99 0.02 0.00 3.32 -1.98 -0.22 116.42 118.55 1k2h h ASP 52 Ca 0.00 -0.47 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 1k2h h ASP 52 Cb 0.85 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1k2h h ASP 52 CO 0.00 1.27 -0.01 0.00 -1.72 0.00 0.00 179.24 178.78 1k2h h ALA 53 N 0.77 -0.02 -0.94 3.45 0.00 -1.89 -2.13 119.26 118.50 1k2h h ALA 53 Ca 0.05 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.87 1k2h h ALA 53 Cb 1.01 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 1k2h h ALA 53 CO 0.10 -0.34 0.61 0.28 0.00 0.00 0.00 179.25 179.90 1k2h h VAL 54 N -0.37 1.02 -1.00 0.00 2.07 -1.58 -1.54 116.25 114.85 1k2h h VAL 54 Ca -0.00 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.18 1k2h h VAL 54 Cb 0.35 -0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 29.99 1k2h h VAL 54 CO 0.00 0.19 0.66 -0.78 0.02 0.00 0.00 177.57 177.66 1k2h h ASP 55 N 1.02 1.16 -0.54 0.57 1.82 -0.70 -2.09 116.42 117.66 1k2h h ASP 55 Ca 0.43 -0.03 -0.12 0.00 -0.39 0.00 0.00 57.03 56.91 1k2h h ASP 55 Cb 0.30 -0.29 -0.02 0.00 0.68 0.00 0.00 39.33 40.01 1k2h h ASP 55 CO -0.18 0.84 -0.12 0.11 -1.61 0.00 0.00 179.24 178.28 1k2h h LYS 56 N 1.36 1.04 -0.75 0.28 6.56 -0.63 -2.53 116.57 121.90 1k2h h LYS 56 Ca 0.37 -0.39 0.01 0.00 -1.06 0.00 0.00 60.65 59.57 1k2h h LYS 56 Cb -0.15 -0.06 -0.04 0.00 -0.57 0.00 0.00 32.23 31.41 1k2h h LYS 56 CO -0.08 1.08 0.50 0.82 -2.06 0.00 0.00 179.45 179.71 1k2h h ILE 57 N 0.92 1.19 0.00 1.86 2.04 -1.12 -0.40 117.51 122.00 1k2h h ILE 57 Ca 0.14 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 1k2h h ILE 57 Cb 0.69 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1k2h h ILE 57 CO 0.05 0.19 -0.08 0.24 0.00 0.00 0.00 178.15 178.55 1k2h h MET 58 N 1.02 0.00 -0.50 2.37 2.86 -1.13 -2.69 114.93 116.86 1k2h h MET 58 Ca 0.28 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.79 1k2h h MET 58 Cb -0.12 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 1k2h h MET 58 CO -0.06 0.08 -0.19 -0.22 1.06 0.00 0.00 176.91 177.57 1k2h h LYS 59 N 0.00 1.01 -0.19 1.72 1.63 -0.65 -0.67 116.57 119.41 1k2h h LYS 59 Ca -0.00 -0.42 -0.21 0.00 -0.85 0.00 0.00 60.65 59.17 1k2h h LYS 59 Cb 0.25 -0.04 0.01 0.00 -0.60 0.00 0.00 32.23 31.85 1k2h h LYS 59 CO 0.01 1.10 -0.71 0.93 -3.45 0.00 0.00 179.45 177.34 1k2h h GLU 60 N 0.88 0.81 0.00 1.90 3.07 -1.42 -1.19 114.58 118.62 1k2h h GLU 60 Ca 0.12 -0.61 -0.04 0.00 -0.50 0.00 0.00 59.36 58.32 1k2h h GLU 60 Cb 0.77 0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.79 1k2h h GLU 60 CO 0.06 1.23 -0.21 -0.07 -1.40 0.00 0.00 179.01 178.62 1k2h h LEU 61 N 0.58 0.00 0.13 1.33 3.38 -1.55 -1.53 115.31 117.64 1k2h h LEU 61 Ca -0.03 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.63 1k2h h LEU 61 Cb 1.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.07 1k2h h LEU 61 CO 0.15 0.21 -1.55 -0.78 0.09 0.00 0.00 178.44 176.56 1k2h h ASP 62 N 0.00 0.42 1.17 -0.43 1.82 -1.10 0.36 116.42 118.66 1k2h h ASP 62 Ca -0.00 -0.58 -0.12 0.00 -0.39 0.00 0.00 57.03 55.94 1k2h h ASP 62 Cb 1.08 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 40.93 1k2h h ASP 62 CO 0.03 1.48 -0.58 1.05 -1.61 0.00 0.00 179.24 179.61 1k2h h GLU 63 N 0.07 0.00 -0.60 0.28 -0.00 -1.23 -3.39 114.58 109.72 1k2h h GLU 63 Ca -0.25 0.00 -0.31 0.00 -0.00 0.00 0.00 59.36 58.80 1k2h h GLU 63 Cb 2.03 0.00 -0.22 0.00 -0.00 0.00 0.00 28.75 30.55 1k2h h GLU 63 CO 0.16 0.58 -0.67 -1.71 -0.00 0.00 0.00 179.01 177.38 1k2h n ASN 64 N -3.36 -1.44 -0.03 3.06 4.05 -0.58 -4.96 115.26 112.00 1k2h n ASN 64 Ca 0.01 -3.47 0.03 0.00 0.45 0.00 0.00 54.58 51.60 1k2h n ASN 64 Cb 0.71 1.17 0.40 0.00 1.23 0.00 0.00 39.78 43.29 1k2h n ASN 64 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 1k2h h GLY 65 N 3.07 0.64 1.10 8.20 0.00 -0.42 0.22 103.07 115.88 1k2h h GLY 65 Ca -0.04 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1k2h h GLY 65 CO 0.25 0.24 0.00 1.22 0.00 0.00 0.00 176.54 178.24 1k2h n ASP 66 N -4.47 0.00 -2.34 0.19 8.00 -1.26 -1.04 116.55 115.63 1k2h n ASP 66 Ca 0.04 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.71 1k2h n ASP 66 Cb 0.06 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1k2h n ASP 66 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k2h n GLY 67 N 0.99 -1.40 3.35 0.44 0.00 0.77 -4.73 105.19 104.61 1k2h n GLY 67 Ca 0.22 -1.16 -0.11 0.00 0.00 0.00 0.00 46.02 44.96 1k2h n GLY 67 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1k2h s GLU 68 N 0.00 1.12 0.09 1.61 2.12 -1.26 -3.19 118.70 119.18 1k2h s GLU 68 Ca 0.00 -0.61 0.04 0.00 0.36 0.00 0.00 54.97 54.76 1k2h s GLU 68 Cb 0.00 0.50 -0.03 0.00 0.26 0.00 0.00 34.13 34.85 1k2h s GLU 68 CO 0.00 -0.45 -0.10 0.14 -0.54 0.00 0.00 175.26 174.31 1k2h s VAL 69 N -3.67 0.92 0.00 3.70 -7.23 -0.83 -4.78 120.40 108.50 1k2h s VAL 69 Ca 0.02 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 58.63 1k2h s VAL 69 Cb 0.01 -1.27 0.00 0.00 0.56 0.00 0.00 36.38 35.68 1k2h s VAL 69 CO -0.11 -0.51 0.00 -0.67 -0.31 0.00 0.00 175.10 173.49 1k2h n ASP 70 N 0.70 1.81 -0.08 4.85 -0.08 -1.26 -1.85 116.55 120.64 1k2h n ASP 70 Ca -0.17 -0.42 -0.09 0.00 -1.51 0.00 0.00 54.79 52.60 1k2h n ASP 70 Cb 0.57 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 44.01 1k2h n ASP 70 CO 0.00 0.00 0.00 2.19 0.12 0.00 0.00 177.20 179.51 1k2h h PHE 71 N 0.38 0.36 -0.11 -0.67 -0.00 -1.93 0.86 116.94 115.82 1k2h h PHE 71 Ca 0.00 0.01 -0.12 0.00 -0.00 0.00 0.00 57.97 57.86 1k2h h PHE 71 Cb 0.00 -0.12 -0.01 0.00 -0.00 0.00 0.00 35.95 35.82 1k2h h PHE 71 CO 0.00 0.23 -0.46 0.37 -0.00 0.00 0.00 178.31 178.45 1k2h h GLN 72 N 0.39 0.28 -0.38 6.09 -0.00 -1.99 -1.65 115.11 117.85 1k2h h GLN 72 Ca 0.11 -0.15 -0.16 0.00 -0.00 0.00 0.00 58.65 58.45 1k2h h GLN 72 Cb -0.04 0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.44 1k2h h GLN 72 CO -0.02 0.68 -0.41 0.93 0.00 0.00 0.00 178.83 180.01 1k2h h GLU 73 N 0.23 0.94 -0.21 1.69 4.39 -1.84 -1.63 114.58 118.15 1k2h h GLU 73 Ca 0.01 -0.51 -0.09 0.00 0.34 0.00 0.00 59.36 59.12 1k2h h GLU 73 Cb 0.90 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.56 1k2h h GLU 73 CO 0.07 1.16 -0.26 0.35 -1.16 0.00 0.00 179.01 179.17 1k2h h PHE 74 N 0.76 0.43 -0.11 4.33 3.04 -0.66 -2.13 116.94 122.61 1k2h h PHE 74 Ca 0.06 -0.09 -0.24 0.00 3.98 0.00 0.00 57.97 61.68 1k2h h PHE 74 Cb 1.01 -0.11 0.01 0.00 2.56 0.00 0.00 35.95 39.42 1k2h h PHE 74 CO 0.06 0.62 -0.86 0.28 -2.02 0.00 0.00 178.31 176.40 1k2h h VAL 75 N 0.35 1.27 -0.16 1.41 2.07 -1.09 -2.27 116.25 117.83 1k2h h VAL 75 Ca 0.05 -2.05 -0.09 0.00 0.82 0.00 0.00 66.70 65.43 1k2h h VAL 75 Cb 0.65 2.10 -0.00 0.00 -1.52 0.00 0.00 31.29 32.51 1k2h h VAL 75 CO 0.05 0.65 -0.23 0.58 0.02 0.00 0.00 177.57 178.63 1k2h h VAL 76 N 0.50 1.35 -0.20 2.57 2.07 -1.19 -2.27 116.25 119.08 1k2h h VAL 76 Ca -0.08 -1.45 -0.14 0.00 0.82 0.00 0.00 66.70 65.85 1k2h h VAL 76 Cb 1.50 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 33.17 1k2h h VAL 76 CO 0.18 0.43 -0.46 -0.07 0.02 0.00 0.00 177.57 177.67 1k2h h LEU 77 N 0.07 0.54 -0.37 2.57 3.38 -1.48 -2.22 115.31 117.80 1k2h h LEU 77 Ca 0.02 -0.26 -0.17 0.00 0.09 0.00 0.00 57.88 57.56 1k2h h LEU 77 Cb 0.80 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1k2h h LEU 77 CO 0.05 0.93 -0.41 0.58 0.09 0.00 0.00 178.44 179.68 1k2h h VAL 78 N 0.41 1.27 -0.37 1.22 2.07 -1.42 -1.25 116.25 118.18 1k2h h VAL 78 Ca 0.02 -1.59 -0.09 0.00 0.82 0.00 0.00 66.70 65.87 1k2h h VAL 78 Cb 0.97 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 1k2h h VAL 78 CO 0.09 0.53 -0.12 0.00 0.02 0.00 0.00 177.57 178.08 1k2h h ALA 79 N 0.76 1.09 -0.21 1.67 0.00 -1.36 -1.87 119.26 119.33 1k2h h ALA 79 Ca 0.05 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1k2h h ALA 79 Cb 1.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1k2h h ALA 79 CO 0.10 0.56 -0.14 0.00 0.00 0.00 0.00 179.25 179.77 1k2h h ALA 80 N 1.26 1.37 -0.42 0.00 0.00 -1.13 -2.28 119.26 118.06 1k2h h ALA 80 Ca 0.10 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1k2h h ALA 80 Cb 0.56 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1k2h h ALA 80 CO 0.04 0.43 -0.12 1.25 0.00 0.00 0.00 179.25 180.85 1k2h h LEU 81 N 0.33 0.83 -1.19 0.00 7.12 -0.43 -2.76 115.31 119.21 1k2h h LEU 81 Ca 0.06 -0.37 -0.03 0.00 0.13 0.00 0.00 57.88 57.67 1k2h h LEU 81 Cb 0.45 -0.23 -0.03 0.00 -0.53 0.00 0.00 40.66 40.33 1k2h h LEU 81 CO 0.03 1.01 0.23 0.74 -0.13 0.00 0.00 178.44 180.31 1k2h h THR 82 N 0.64 1.20 -0.99 1.05 2.02 -1.01 0.79 112.91 116.60 1k2h h THR 82 Ca 0.10 -0.61 0.27 0.00 0.77 0.00 0.00 66.41 66.95 1k2h h THR 82 Cb 0.66 0.53 -0.05 0.00 -1.74 0.00 0.00 68.15 67.54 1k2h h THR 82 CO 0.04 0.24 0.69 0.58 0.37 0.00 0.00 175.52 177.45 1k2h h VAL 83 N 0.79 0.53 -0.93 3.16 2.07 -1.12 1.32 116.25 122.07 1k2h h VAL 83 Ca 0.19 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 1k2h h VAL 83 Cb 0.14 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 1k2h h VAL 83 CO -0.02 0.02 0.56 0.00 0.02 0.00 0.00 177.57 178.15 1k2h h ALA 84 N 1.54 1.19 -1.13 1.67 0.00 -0.83 -3.18 119.26 118.53 1k2h h ALA 84 Ca 0.50 -0.11 -0.47 0.00 0.00 0.00 0.00 54.91 54.83 1k2h h ALA 84 Cb 1.73 -0.38 -0.41 0.00 0.00 0.00 0.00 17.79 18.73 1k2h h ALA 84 CO -0.09 0.65 -0.93 0.00 0.00 0.00 0.00 179.25 178.88 1k2h n ASN 86 N -0.39 0.00 -4.65 0.00 2.04 0.22 -4.69 115.26 107.79 1k2h n ASN 86 Ca 0.27 -0.12 -0.48 0.00 -0.44 0.00 0.00 54.58 53.81 1k2h n ASN 86 Cb 0.77 0.00 -0.05 0.00 -2.53 0.00 0.00 39.78 37.97 1k2h n ASN 86 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1k2h n ASN 87 N -0.85 3.30 0.09 0.53 2.85 -1.26 -4.79 115.26 115.12 1k2h n ASN 87 Ca 0.02 0.84 0.13 0.00 -0.11 0.00 0.00 54.58 55.46 1k2h n ASN 87 Cb 0.01 -1.38 0.43 0.00 1.24 0.00 0.00 39.78 40.08 1k2h n ASN 87 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 1k2h n PHE 88 N 7.47 0.77 1.00 1.20 7.35 -1.26 -2.58 117.46 131.41 1k2h n PHE 88 Ca 0.25 0.22 0.09 0.00 -0.76 0.00 0.00 57.45 57.26 1k2h n PHE 88 Cb 0.30 -0.86 0.30 0.00 0.35 0.00 0.00 39.48 39.58 1k2h n PHE 88 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1k2h n PHE 89 N -2.13 0.33 0.00 -5.13 3.01 -1.26 -4.62 117.46 107.65 1k2h n PHE 89 Ca 0.06 -0.16 0.00 0.00 1.01 0.00 0.00 57.45 58.35 1k2h n PHE 89 Cb 0.42 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.89 1k2h n PHE 89 CO 0.00 0.00 0.00 -2.67 1.01 0.00 0.00 176.76 175.10 1k2h n TRP 90 N 0.53 0.00 -1.90 1.38 2.14 -1.06 -4.84 117.44 113.69 1k2h n TRP 90 Ca 0.16 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.31 1k2h n TRP 90 Cb 0.36 -0.35 -0.03 0.00 -0.81 0.00 0.00 31.31 30.48 1k2h n TRP 90 CO 0.00 0.00 0.00 -2.00 2.07 0.00 0.00 177.69 177.76 1k2h s GLU 91 N 2.63 4.20 -0.34 -2.67 2.12 -1.26 -4.96 118.70 118.42 1k2h s GLU 91 Ca 0.00 2.41 -0.14 0.00 0.36 0.00 0.00 54.97 57.60 1k2h s GLU 91 Cb 0.00 -3.13 -0.02 0.00 0.26 0.00 0.00 34.13 31.24 1k2h s GLU 91 CO 0.00 -0.61 0.28 1.21 -0.54 0.00 0.00 175.26 175.60 1k2h s ASN 92 N 1.04 6.10 0.00 -1.70 2.47 -1.26 -5.10 114.94 116.49 1k2h s ASN 92 Ca 0.69 -0.36 0.00 0.00 0.42 0.00 0.00 52.86 53.62 1k2h s ASN 92 Cb -0.45 -2.16 0.00 0.00 -1.45 0.00 0.00 41.25 37.20 1k2h s ASN 92 CO 0.33 -0.27 0.28 -1.20 -3.72 0.00 0.00 177.10 172.52