#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2b n SER 2 N 0.00 0.00 -0.13 3.17 7.64 -1.16 -3.94 113.62 119.19 2k2b n SER 2 Ca 0.00 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.01 2k2b n SER 2 Cb 0.00 0.00 0.49 0.00 -1.01 0.00 0.00 64.21 63.69 2k2b n SER 2 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 2k2b h TRP 3 N 0.00 0.48 -0.47 1.43 4.06 -1.92 -1.81 115.95 117.73 2k2b h TRP 3 Ca 0.00 0.01 -0.11 0.00 2.06 0.00 0.00 58.89 60.86 2k2b h TRP 3 Cb 0.00 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 27.99 2k2b h TRP 3 CO 0.00 0.21 -0.13 0.52 -3.56 0.00 0.00 178.44 175.48 2k2b h MET 4 N 0.43 0.87 -0.19 0.49 2.86 -1.86 -1.68 114.93 115.84 2k2b h MET 4 Ca 0.33 -0.31 -0.12 0.00 -2.06 0.00 0.00 59.70 57.53 2k2b h MET 4 Cb 0.68 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 2k2b h MET 4 CO -0.10 0.95 -0.41 -0.56 1.06 0.00 0.00 176.91 177.85 2k2b h GLN 5 N 0.77 0.45 -0.35 1.72 3.07 -1.42 -1.63 115.11 117.73 2k2b h GLN 5 Ca 0.12 -0.22 0.03 0.00 0.09 0.00 0.00 58.65 58.67 2k2b h GLN 5 Cb 0.65 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.19 2k2b h GLN 5 CO 0.05 0.78 0.23 -0.97 0.09 0.00 0.00 178.83 179.01 2k2b h ASN 6 N 0.37 0.31 0.43 0.06 -1.24 -1.06 0.94 115.58 115.37 2k2b h ASN 6 Ca 0.03 -0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.02 2k2b h ASN 6 Cb 0.87 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.85 2k2b h ASN 6 CO 0.07 0.21 -0.20 -0.07 -1.29 0.00 0.00 177.43 176.15 2k2b h LEU 7 N 0.36 -0.48 0.00 0.34 3.38 -0.74 -3.28 115.31 114.89 2k2b h LEU 7 Ca 0.14 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2k2b h LEU 7 Cb 0.13 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2k2b h LEU 7 CO -0.03 -0.05 0.00 2.29 0.09 0.00 0.00 178.44 180.74 2k2b n LYS 8 N -5.16 0.35 0.11 1.13 2.85 -0.67 -2.68 118.16 114.09 2k2b n LYS 8 Ca -0.08 0.06 0.03 0.00 -1.05 0.00 0.00 58.31 57.28 2k2b n LYS 8 Cb 0.24 -1.50 0.41 0.00 -0.65 0.00 0.00 35.03 33.53 2k2b n LYS 8 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 177.40 176.38 2k2b h ASN 9 N 0.00 0.25 -2.98 -5.58 -0.73 -0.87 -3.37 115.58 102.30 2k2b h ASN 9 Ca 0.00 -0.04 -0.60 0.00 1.87 0.00 0.00 56.30 57.53 2k2b h ASN 9 Cb 0.05 -0.06 -0.40 0.00 0.27 0.00 0.00 38.32 38.18 2k2b h ASN 9 CO 0.00 0.35 -0.80 -0.47 -0.37 0.00 0.00 177.43 176.14 2k2b s TYR 10 N -4.86 1.74 0.46 0.67 5.04 -1.09 -4.44 117.35 114.86 2k2b s TYR 10 Ca -0.06 -2.38 0.13 0.00 -2.44 0.00 0.00 57.07 52.32 2k2b s TYR 10 Cb 0.16 -1.57 1.07 0.00 0.35 0.00 0.00 41.96 41.97 2k2b s TYR 10 CO 0.73 -0.77 2.06 0.37 -1.34 0.00 0.00 175.55 176.60 2k2b h GLN 11 N 6.31 0.29 -5.96 4.97 5.75 -1.80 -3.40 115.11 121.28 2k2b h GLN 11 Ca 0.10 -0.02 -0.61 0.00 -0.15 0.00 0.00 58.65 57.97 2k2b h GLN 11 Cb 0.91 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.38 2k2b h GLN 11 CO 0.45 0.19 1.48 1.58 -2.65 0.00 0.00 178.83 179.88 2k2b n HIS 12 N -4.49 1.80 -2.69 3.99 -0.00 -1.26 -1.17 115.22 111.41 2k2b n HIS 12 Ca 0.03 0.02 -0.08 0.00 0.46 0.00 0.00 57.72 58.16 2k2b n HIS 12 Cb 0.19 -2.66 0.03 0.00 -0.12 0.00 0.00 29.99 27.44 2k2b n HIS 12 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 2k2b n LEU 13 N 11.34 -2.73 -4.54 0.27 7.94 -1.26 -5.08 117.00 122.94 2k2b n LEU 13 Ca 0.34 -0.24 -0.27 0.00 -1.11 0.00 0.00 56.01 54.74 2k2b n LEU 13 Cb 0.38 -1.53 -0.08 0.00 0.53 0.00 0.00 43.42 42.72 2k2b n LEU 13 CO 0.70 0.19 -0.18 -0.13 -1.11 0.00 0.00 177.39 176.85 2k2b s ARG 14 N -4.86 2.00 -0.01 1.96 1.81 -0.32 -5.13 118.95 114.41 2k2b s ARG 14 Ca 0.08 -2.24 0.06 0.00 -1.72 0.00 0.00 55.73 51.91 2k2b s ARG 14 Cb -0.03 -0.60 -0.02 0.00 -0.45 0.00 0.00 34.95 33.85 2k2b s ARG 14 CO 0.29 -0.53 -0.20 0.34 -0.68 0.00 0.00 175.30 174.52 2k2b s ASP 15 N -3.64 2.41 0.00 0.23 -1.08 -1.26 -5.02 116.67 108.30 2k2b s ASP 15 Ca 0.21 -0.39 0.00 0.00 -0.52 0.00 0.00 52.55 51.85 2k2b s ASP 15 Cb 0.01 -0.26 0.00 0.00 -1.46 0.00 0.00 42.92 41.22 2k2b s ASP 15 CO 0.14 0.24 0.73 -2.65 0.52 0.00 0.00 175.17 174.15 2k2b n PRO 16 N 2.45 0.00 -0.12 4.34 -0.02 -1.26 -3.67 135.00 136.72 2k2b n PRO 16 Ca -0.15 0.26 -0.10 0.00 -2.02 0.00 0.00 63.50 61.48 2k2b n PRO 16 Cb 0.53 -1.54 -0.05 0.00 -0.02 0.00 0.00 33.50 32.42 2k2b n PRO 16 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2k2b h SER 17 N 0.00 -1.48 -0.47 2.55 0.02 -1.99 -0.93 113.55 111.25 2k2b h SER 17 Ca 0.00 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2k2b h SER 17 Cb 0.08 0.64 -0.02 0.00 0.14 0.00 0.00 62.40 63.23 2k2b h SER 17 CO 0.00 -0.38 0.30 1.05 -1.14 0.00 0.00 176.83 176.67 2k2b h GLU 18 N -0.34 0.62 -0.27 3.45 9.09 -1.95 -1.13 114.58 124.05 2k2b h GLU 18 Ca 0.13 -0.04 0.06 0.00 0.05 0.00 0.00 59.36 59.56 2k2b h GLU 18 Cb 0.59 -0.14 -0.07 0.00 -1.65 0.00 0.00 28.75 27.48 2k2b h GLU 18 CO -0.57 0.43 -0.18 1.88 0.05 0.00 0.00 179.01 180.62 2k2b h TYR 19 N 0.63 -0.45 0.00 2.06 -1.99 -1.64 0.46 116.97 116.04 2k2b h TYR 19 Ca 0.17 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.92 2k2b h TYR 19 Cb -0.05 0.24 -0.00 0.00 2.00 0.00 0.00 36.73 38.91 2k2b h TYR 19 CO -0.04 -0.25 -0.06 1.98 -0.00 0.00 0.00 178.16 179.78 2k2b h MET 20 N -0.16 0.00 0.00 4.88 4.05 -1.00 -2.21 114.93 120.49 2k2b h MET 20 Ca 0.15 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.55 2k2b h MET 20 Cb 0.38 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.18 2k2b h MET 20 CO -0.37 0.06 -0.40 0.77 0.23 0.00 0.00 176.91 177.20 2k2b h SER 21 N 0.00 0.00 0.13 1.39 0.02 0.51 -3.37 113.55 112.23 2k2b h SER 21 Ca -0.00 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.66 2k2b h SER 21 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2k2b h SER 21 CO 0.01 0.07 -1.44 1.56 -1.14 0.00 0.00 176.83 175.89 2k2b h GLN 22 N 0.00 0.28 -5.64 3.45 1.08 0.39 -3.45 115.11 111.22 2k2b h GLN 22 Ca -0.01 -0.48 -0.59 0.00 -1.45 0.00 0.00 58.65 56.12 2k2b h GLN 22 Cb 1.06 0.18 -0.09 0.00 -0.05 0.00 0.00 27.48 28.57 2k2b h GLN 22 CO 0.01 1.23 0.01 0.08 -0.95 0.00 0.00 178.83 179.21 2k2b s VAL 23 N -2.49 5.08 -0.01 -0.54 1.01 -1.06 -4.48 120.40 117.90 2k2b s VAL 23 Ca -0.18 1.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.86 2k2b s VAL 23 Cb 0.04 -3.89 -0.00 0.00 0.00 0.00 0.00 36.38 32.53 2k2b s VAL 23 CO 0.79 0.18 0.12 0.22 0.00 0.00 0.00 175.10 176.41 2k2b h TYR 24 N 7.32 -0.03 0.00 5.22 3.20 -1.88 -3.37 116.97 127.44 2k2b h TYR 24 Ca -0.34 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.53 2k2b h TYR 24 Cb 1.16 0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.43 2k2b h TYR 24 CO 0.69 -0.02 0.00 0.41 -1.64 0.00 0.00 178.16 177.60 2k2b n GLY 25 N 1.62 -3.22 3.10 1.82 0.00 -1.26 -4.12 105.19 103.13 2k2b n GLY 25 Ca -0.00 0.47 -0.37 0.00 0.00 0.00 0.00 46.02 46.12 2k2b n GLY 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k2b s ASP 26 N -2.66 5.47 0.26 1.61 1.01 -0.66 -4.93 116.67 116.77 2k2b s ASP 26 Ca 0.00 -3.09 -0.04 0.00 0.71 0.00 0.00 52.55 50.13 2k2b s ASP 26 Cb 0.00 -1.88 0.32 0.00 1.01 0.00 0.00 42.92 42.37 2k2b s ASP 26 CO 0.00 -0.32 1.90 -0.65 0.21 0.00 0.00 175.17 176.31 2k2b h PRO 27 N 6.77 1.17 -0.01 8.23 0.11 -1.73 -2.32 132.00 144.21 2k2b h PRO 27 Ca 0.04 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2k2b h PRO 27 Cb 0.92 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.79 2k2b h PRO 27 CO 0.75 0.83 0.01 1.37 -0.21 0.00 0.00 178.00 180.75 2k2b h LEU 28 N 1.18 0.00 0.62 2.35 -0.00 -1.93 -0.12 115.31 117.41 2k2b h LEU 28 Ca 0.31 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 58.16 2k2b h LEU 28 Cb -0.03 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.64 2k2b h LEU 28 CO -0.05 0.00 -0.30 0.00 -0.00 0.00 0.00 178.44 178.09 2k2b h ALA 29 N 1.99 -0.83 -0.11 0.17 0.00 -1.74 0.58 119.26 119.31 2k2b h ALA 29 Ca 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2k2b h ALA 29 Cb 0.03 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2k2b h ALA 29 CO -0.00 -0.78 -0.03 -0.92 0.00 0.00 0.00 179.25 177.52 2k2b h TYR 30 N -1.20 0.16 -0.18 0.00 3.20 -1.54 0.11 116.97 117.51 2k2b h TYR 30 Ca -0.08 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.80 2k2b h TYR 30 Cb 0.65 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 2k2b h TYR 30 CO 0.00 0.20 0.04 1.25 -1.64 0.00 0.00 178.16 178.01 2k2b h LEU 31 N 0.16 0.01 -1.10 2.82 7.12 -0.99 0.16 115.31 123.49 2k2b h LEU 31 Ca 0.04 0.03 -0.03 0.00 0.13 0.00 0.00 57.88 58.04 2k2b h LEU 31 Cb 0.17 0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 40.31 2k2b h LEU 31 CO 0.01 0.03 0.26 -0.61 -0.13 0.00 0.00 178.44 178.00 2k2b h GLN 32 N 0.11 0.90 0.00 1.25 4.15 0.61 0.40 115.11 122.53 2k2b h GLN 32 Ca 0.08 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.37 2k2b h GLN 32 Cb 0.07 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.60 2k2b h GLN 32 CO -0.10 0.72 0.00 -1.91 -1.93 0.00 0.00 178.83 175.61 2k2b n GLU 33 N -4.33 0.05 -0.08 1.69 2.13 0.22 -0.02 120.64 120.31 2k2b n GLU 33 Ca 0.05 0.22 -0.20 0.00 0.66 0.00 0.00 57.16 57.90 2k2b n GLU 33 Cb 0.16 -1.58 -0.12 0.00 0.27 0.00 0.00 31.44 30.16 2k2b n GLU 33 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 2k2b h THR 34 N 0.00 1.15 0.25 6.31 2.02 0.12 -2.63 112.91 120.12 2k2b h THR 34 Ca 0.00 -2.26 -0.01 0.00 0.77 0.00 0.00 66.41 64.91 2k2b h THR 34 Cb 0.35 2.59 0.00 0.00 -1.74 0.00 0.00 68.15 69.36 2k2b h THR 34 CO 0.00 0.46 -0.12 0.71 0.37 0.00 0.00 175.52 176.94 2k2b h THR 35 N -0.87 0.39 -0.12 3.16 1.35 -0.89 -3.29 112.91 112.64 2k2b h THR 35 Ca -0.26 -0.91 -0.11 0.00 -0.55 0.00 0.00 66.41 64.59 2k2b h THR 35 Cb 1.31 0.66 -0.01 0.00 -1.73 0.00 0.00 68.15 68.38 2k2b h THR 35 CO -0.11 0.10 -0.42 0.11 -0.25 0.00 0.00 175.52 174.95 2k2b h LYS 36 N -1.01 0.26 -4.10 4.72 6.56 -0.68 -3.49 116.57 118.83 2k2b h LYS 36 Ca -0.03 -0.13 0.00 0.00 -1.06 0.00 0.00 60.65 59.43 2k2b h LYS 36 Cb 0.43 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.08 2k2b h LYS 36 CO 0.06 0.65 -0.21 0.34 -2.06 0.00 0.00 179.45 178.22 2k2b n PHE 37 N -4.01 -1.65 -2.83 -1.35 7.35 -1.01 -4.71 117.46 109.24 2k2b n PHE 37 Ca -0.02 0.66 -0.01 0.00 -0.76 0.00 0.00 57.45 57.32 2k2b n PHE 37 Cb 0.49 -2.75 0.00 0.00 0.35 0.00 0.00 39.48 37.57 2k2b n PHE 37 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 2k2b n VAL 38 N -0.53 -9.89 0.00 -2.13 0.31 -1.09 -5.00 118.33 100.00 2k2b n VAL 38 Ca 0.05 1.51 0.00 0.00 -0.01 0.00 0.00 64.34 65.89 2k2b n VAL 38 Cb 0.26 -6.12 0.00 0.00 -0.91 0.00 0.00 33.84 27.07 2k2b n VAL 38 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 2k2b n THR 39 N 0.76 0.00 0.00 2.52 5.66 -1.26 -4.98 114.28 116.98 2k2b n THR 39 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 2k2b n THR 39 Cb 0.14 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.92 2k2b n THR 39 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2k2b n GLU 40 N -0.05 0.00 0.15 1.09 -0.58 -1.26 -4.81 120.64 115.18 2k2b n GLU 40 Ca 0.00 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.77 2k2b n GLU 40 Cb 0.00 0.00 0.43 0.00 -0.57 0.00 0.00 31.44 31.30 2k2b n GLU 40 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k2b h ARG 41 N 0.00 0.18 0.00 3.49 3.08 -2.01 -2.89 114.38 116.24 2k2b h ARG 41 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2k2b h ARG 41 Cb 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.02 2k2b h ARG 41 CO 0.00 0.31 0.35 0.39 -1.07 0.00 0.00 179.97 179.95 2k2b n GLU 42 N -4.30 0.07 0.00 0.04 4.71 -1.26 -0.42 120.64 119.48 2k2b n GLU 42 Ca -0.01 0.51 0.00 0.00 -0.01 0.00 0.00 57.16 57.65 2k2b n GLU 42 Cb 0.25 -2.07 0.00 0.00 -1.01 0.00 0.00 31.44 28.60 2k2b n GLU 42 CO 0.00 0.00 0.00 2.48 0.09 0.00 0.00 177.13 179.70 2k2b n TYR 43 N -1.91 0.00 0.42 -0.32 0.18 -1.23 -4.78 117.16 109.53 2k2b n TYR 43 Ca -0.01 0.00 0.13 0.00 1.88 0.00 0.00 57.90 59.90 2k2b n TYR 43 Cb 0.37 0.00 0.37 0.00 -0.38 0.00 0.00 39.34 39.70 2k2b n TYR 43 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 2k2b h TYR 44 N 0.00 0.00 0.02 -3.48 3.20 -1.16 -3.38 116.97 112.18 2k2b h TYR 44 Ca 0.00 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.71 2k2b h TYR 44 Cb 0.28 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 2k2b h TYR 44 CO 0.00 0.00 -0.85 1.49 -1.64 0.00 0.00 178.16 177.16 2k2b h GLU 45 N 0.00 0.04 0.00 1.82 4.57 -0.97 -3.31 114.58 116.74 2k2b h GLU 45 Ca 0.00 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2k2b h GLU 45 Cb 0.75 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 2k2b h GLU 45 CO 0.00 1.03 0.00 -3.47 -1.18 0.00 0.00 179.01 175.39 2k2b n ASP 46 N -4.41 -0.38 -4.28 1.04 2.03 -1.26 -4.55 116.55 104.74 2k2b n ASP 46 Ca -0.23 0.17 -0.28 0.00 0.52 0.00 0.00 54.79 54.96 2k2b n ASP 46 Cb 0.65 0.51 -0.15 0.00 -0.72 0.00 0.00 41.12 41.41 2k2b n ASP 46 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2k2b s PHE 47 N -2.00 2.04 0.00 -0.67 -0.71 -1.26 -4.92 117.98 110.47 2k2b s PHE 47 Ca 0.00 -0.39 0.00 0.00 -1.04 0.00 0.00 56.93 55.50 2k2b s PHE 47 Cb 0.00 -1.25 0.00 0.00 -1.21 0.00 0.00 43.02 40.56 2k2b s PHE 47 CO 0.00 0.06 0.00 0.41 -1.34 0.00 0.00 175.22 174.35 2k2b n GLY 48 N 2.05 0.08 0.00 1.99 0.00 -1.26 -4.07 105.19 103.99 2k2b n GLY 48 Ca -0.16 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2k2b n GLY 48 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2k2b n TYR 49 N 0.00 -0.07 -4.15 1.61 0.18 -1.26 -4.60 117.16 108.86 2k2b n TYR 49 Ca 0.00 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 59.55 2k2b n TYR 49 Cb 0.00 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 38.90 2k2b n TYR 49 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 2k2b s GLY 50 N -0.65 1.86 0.00 -7.48 0.00 -1.26 -1.66 107.32 98.13 2k2b s GLY 50 Ca 0.00 -1.78 0.03 0.00 0.00 0.00 0.00 44.72 42.97 2k2b s GLY 50 CO 0.00 -1.74 0.93 1.18 0.00 0.00 0.00 173.10 173.47 2k2b n GLU 51 N -1.09 0.04 -0.25 2.90 4.71 -1.26 -1.42 120.64 124.26 2k2b n GLU 51 Ca -0.04 0.28 0.07 0.00 -0.01 0.00 0.00 57.16 57.46 2k2b n GLU 51 Cb 0.61 -1.50 0.31 0.00 -1.01 0.00 0.00 31.44 29.85 2k2b n GLU 51 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2k2b h PHE 53 N 0.85 0.00 -0.01 0.00 0.04 -1.48 -3.16 116.94 113.19 2k2b h PHE 53 Ca 0.38 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.15 2k2b h PHE 53 Cb 0.34 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.49 2k2b h PHE 53 CO -0.00 0.20 -0.05 0.09 -0.60 0.00 0.00 178.31 177.95 2k2b n ASN 54 N -3.04 0.86 -3.59 2.17 3.02 -0.55 -3.06 115.26 111.07 2k2b n ASN 54 Ca 0.01 -1.12 -0.25 0.00 -0.03 0.00 0.00 54.58 53.20 2k2b n ASN 54 Cb 0.62 -0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.82 2k2b n ASN 54 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2k2b n SER 55 N -0.44 -5.71 -3.54 6.41 3.41 0.53 -4.95 113.62 109.34 2k2b n SER 55 Ca 0.19 -0.84 -0.10 0.00 -0.26 0.00 0.00 58.87 57.86 2k2b n SER 55 Cb 0.28 -3.42 -0.10 0.00 -0.26 0.00 0.00 64.21 60.71 2k2b n SER 55 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2k2b s THR 56 N -3.29 -0.58 -0.87 6.66 2.01 -0.52 -4.96 115.64 114.09 2k2b s THR 56 Ca 0.31 0.09 -0.19 0.00 0.31 0.00 0.00 61.69 62.20 2k2b s THR 56 Cb -0.11 -0.68 -0.12 0.00 0.01 0.00 0.00 72.50 71.60 2k2b s THR 56 CO 0.85 -0.01 1.99 -1.84 -0.69 0.00 0.00 174.62 174.92 2k2b n GLU 57 N 5.37 1.74 0.14 4.92 0.28 -1.26 -4.50 120.64 127.33 2k2b n GLU 57 Ca -0.06 -1.90 0.01 0.00 -0.16 0.00 0.00 57.16 55.05 2k2b n GLU 57 Cb 0.50 -2.91 0.30 0.00 1.43 0.00 0.00 31.44 30.76 2k2b n GLU 57 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2k2b h SER 58 N 7.48 0.13 -4.82 -1.84 0.87 -1.93 -3.46 113.55 109.98 2k2b h SER 58 Ca 0.45 -0.05 0.09 0.00 -1.23 0.00 0.00 61.79 61.05 2k2b h SER 58 Cb 0.61 -0.04 -0.13 0.00 -0.44 0.00 0.00 62.40 62.40 2k2b h SER 58 CO 1.90 0.48 0.42 -0.70 -0.53 0.00 0.00 176.83 178.41 2k2b s GLU 59 N -4.23 1.00 0.56 2.24 2.56 -1.26 -5.02 118.70 114.55 2k2b s GLU 59 Ca -0.04 -0.41 0.31 0.00 0.00 0.00 0.00 54.97 54.84 2k2b s GLU 59 Cb 0.14 0.44 1.70 0.00 2.00 0.00 0.00 34.13 38.41 2k2b s GLU 59 CO 0.75 -0.44 1.94 -0.39 -0.56 0.00 0.00 175.26 176.56 2k2b h VAL 60 N 2.00 0.00 0.00 3.70 -1.51 -1.95 -0.76 116.25 117.73 2k2b h VAL 60 Ca -0.25 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.22 2k2b h VAL 60 Cb 1.26 0.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.11 2k2b h VAL 60 CO 0.31 0.00 -0.40 0.06 -1.23 0.00 0.00 177.57 176.31 2k2b h GLN 61 N 0.00 0.00 -4.63 5.19 3.07 -1.89 -3.41 115.11 113.45 2k2b h GLN 61 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 58.65 58.25 2k2b h GLN 61 Cb 0.32 0.00 -0.32 0.00 0.08 0.00 0.00 27.48 27.55 2k2b h GLN 61 CO 0.00 0.00 -0.81 0.00 0.09 0.00 0.00 178.83 178.11 2k2b n GLU 63 N 3.59 0.00 -2.11 0.00 2.13 -1.26 -4.29 120.64 118.71 2k2b n GLU 63 Ca -0.21 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.26 2k2b n GLU 63 Cb 0.52 -0.43 -0.04 0.00 0.27 0.00 0.00 31.44 31.77 2k2b n GLU 63 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 2k2b s LEU 64 N 0.00 3.25 0.00 4.31 2.96 -1.26 -4.84 118.68 123.10 2k2b s LEU 64 Ca 0.00 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 53.76 2k2b s LEU 64 Cb 0.00 -2.54 0.00 0.00 0.50 0.00 0.00 46.19 44.15 2k2b s LEU 64 CO 0.00 -2.41 0.54 2.30 -1.32 0.00 0.00 176.35 175.45 2k2b n ILE 65 N 7.35 0.24 0.19 6.68 -6.64 -1.26 -4.24 119.36 121.68 2k2b n ILE 65 Ca 0.26 0.00 -0.14 0.00 -1.77 0.00 0.00 62.75 61.11 2k2b n ILE 65 Cb 0.50 -0.56 -0.08 0.00 -1.44 0.00 0.00 39.64 38.06 2k2b n ILE 65 CO 0.00 0.00 0.00 0.74 -1.77 0.00 0.00 176.55 175.52 2k2b h THR 66 N 0.05 0.58 0.00 7.28 2.02 -1.90 -3.46 112.91 117.46 2k2b h THR 66 Ca 0.00 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.67 2k2b h THR 66 Cb 0.54 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 2k2b h THR 66 CO 0.00 0.09 0.00 0.61 0.37 0.00 0.00 175.52 176.59 2k2b n GLY 67 N -0.43 0.00 0.07 2.16 0.00 -1.26 -5.05 105.19 100.68 2k2b n GLY 67 Ca -0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 2k2b n GLY 67 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2k2b h GLU 68 N 0.00 0.00 -6.87 1.61 4.57 -1.82 -3.08 114.58 108.99 2k2b h GLU 68 Ca 0.00 0.00 -0.49 0.00 -1.18 0.00 0.00 59.36 57.69 2k2b h GLU 68 Cb 0.00 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 28.62 2k2b h GLU 68 CO 0.00 0.33 0.07 -0.59 -1.18 0.00 0.00 179.01 177.63 2k2b s PHE 69 N -2.08 3.55 -0.51 0.92 -0.12 -1.26 -3.69 117.98 114.79 2k2b s PHE 69 Ca -0.14 0.75 -0.16 0.00 -0.05 0.00 0.00 56.93 57.32 2k2b s PHE 69 Cb 0.02 -2.24 0.09 0.00 -0.63 0.00 0.00 43.02 40.25 2k2b s PHE 69 CO 0.30 -0.21 0.49 0.16 -0.05 0.00 0.00 175.22 175.90 2k2b s ASP 70 N -4.07 6.17 0.07 1.98 -4.77 -1.26 -4.90 116.67 109.89 2k2b s ASP 70 Ca 0.46 -1.42 0.12 0.00 -3.30 0.00 0.00 52.55 48.42 2k2b s ASP 70 Cb -0.10 -2.22 -0.16 0.00 -1.09 0.00 0.00 42.92 39.35 2k2b s ASP 70 CO 0.43 -0.79 0.96 1.55 0.70 0.00 0.00 175.17 178.03 2k2b h PRO 71 N 8.87 0.00 -0.13 2.11 0.13 -1.99 -3.39 132.00 137.60 2k2b h PRO 71 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2k2b h PRO 71 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2k2b h PRO 71 CO 0.96 0.58 0.00 0.36 -0.23 0.00 0.00 178.00 179.67 2k2b n LYS 72 N -3.11 1.61 -0.09 0.86 2.85 -1.26 -4.72 118.16 114.31 2k2b n LYS 72 Ca -0.08 -1.66 -0.18 0.00 -1.05 0.00 0.00 58.31 55.33 2k2b n LYS 72 Cb 0.93 -1.33 -0.06 0.00 -0.65 0.00 0.00 35.03 33.92 2k2b n LYS 72 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2k2b n LEU 73 N 0.93 1.21 -4.58 -5.58 4.77 -1.26 -5.05 117.00 107.43 2k2b n LEU 73 Ca 0.11 0.21 -0.39 0.00 -0.03 0.00 0.00 56.01 55.91 2k2b n LEU 73 Cb 0.43 -0.50 0.04 0.00 -2.33 0.00 0.00 43.42 41.05 2k2b n LEU 73 CO 0.10 0.35 0.46 0.00 -1.33 0.00 0.00 177.39 176.97 2k2b n LEU 74 N -3.77 2.73 -4.69 2.23 -0.00 -1.26 -4.98 117.00 107.25 2k2b n LEU 74 Ca -0.34 0.86 -0.30 0.00 -0.00 0.00 0.00 56.01 56.24 2k2b n LEU 74 Cb 0.74 -1.33 0.15 0.00 -0.00 0.00 0.00 43.42 42.97 2k2b n LEU 74 CO 0.02 -1.99 0.66 -2.84 -0.00 0.00 0.00 177.39 173.24 2k2b s PRO 75 N -2.37 1.19 -0.65 1.47 0.02 -1.26 -4.98 135.00 128.41 2k2b s PRO 75 Ca 0.70 1.04 -0.17 0.00 0.02 0.00 0.00 61.00 62.59 2k2b s PRO 75 Cb -0.47 -1.78 0.13 0.00 0.02 0.00 0.00 34.50 32.40 2k2b s PRO 75 CO 0.52 -2.35 0.71 1.52 -0.33 0.00 0.00 177.00 177.07 2k2b s TYR 76 N -2.82 3.19 -0.47 6.54 1.13 -1.26 -4.75 117.35 118.91 2k2b s TYR 76 Ca 0.64 -1.24 0.01 0.00 -1.41 0.00 0.00 57.07 55.07 2k2b s TYR 76 Cb -0.19 -3.97 0.13 0.00 -1.10 0.00 0.00 41.96 36.82 2k2b s TYR 76 CO 0.58 -1.21 0.24 -0.51 -2.51 0.00 0.00 175.55 172.13 2k2b s ASP 77 N 3.38 4.85 0.03 -0.18 1.01 -1.26 -5.02 116.67 119.48 2k2b s ASP 77 Ca 0.13 -2.55 -0.06 0.00 0.71 0.00 0.00 52.55 50.78 2k2b s ASP 77 Cb -0.21 -1.73 -0.01 0.00 1.01 0.00 0.00 42.92 41.98 2k2b s ASP 77 CO 0.01 -0.37 0.83 0.29 0.21 0.00 0.00 175.17 176.15 2k2b n LYS 78 N 3.81 -0.08 0.13 8.23 5.02 -1.26 0.23 118.16 134.23 2k2b n LYS 78 Ca 0.04 0.83 0.02 0.00 -2.02 0.00 0.00 58.31 57.17 2k2b n LYS 78 Cb 0.38 -1.23 0.35 0.00 -0.02 0.00 0.00 35.03 34.51 2k2b n LYS 78 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 2k2b h ARG 79 N 0.00 0.19 0.30 1.97 0.11 -1.98 0.40 114.38 115.37 2k2b h ARG 79 Ca 0.03 -0.06 -0.01 0.00 0.10 0.00 0.00 59.98 60.04 2k2b h ARG 79 Cb 0.07 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.14 2k2b h ARG 79 CO -0.17 0.42 -0.15 -0.07 0.10 0.00 0.00 179.97 180.11 2k2b h LEU 80 N 0.18 -0.35 -1.34 0.08 4.07 -0.63 -2.69 115.31 114.62 2k2b h LEU 80 Ca 0.03 0.01 0.22 0.00 0.08 0.00 0.00 57.88 58.23 2k2b h LEU 80 Cb 0.51 0.09 -0.09 0.00 1.08 0.00 0.00 40.66 42.25 2k2b h LEU 80 CO 0.04 -0.03 0.63 0.00 -1.08 0.00 0.00 178.44 177.99 2k2b h ALA 81 N -1.38 2.10 0.70 1.53 0.00 -0.24 -1.14 119.26 120.83 2k2b h ALA 81 Ca -0.04 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2k2b h ALA 81 Cb 0.31 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2k2b h ALA 81 CO 0.07 -0.45 -0.45 2.35 0.00 0.00 0.00 179.25 180.77 2k2b h TRP 82 N 0.48 -1.21 -0.74 0.00 2.91 -0.97 -1.17 115.95 115.26 2k2b h TRP 82 Ca 0.54 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.55 2k2b h TRP 82 Cb 1.24 0.43 -0.04 0.00 -0.51 0.00 0.00 29.16 30.29 2k2b h TRP 82 CO -0.00 -0.67 0.47 0.45 -1.03 0.00 0.00 178.44 177.66 2k2b h HIS 83 N -1.09 0.95 -0.36 2.65 3.86 -1.00 1.02 115.15 121.18 2k2b h HIS 83 Ca -0.09 0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.19 2k2b h HIS 83 Cb 0.88 -0.32 -0.06 0.00 1.06 0.00 0.00 27.41 28.97 2k2b h HIS 83 CO -0.10 0.62 0.02 0.74 0.86 0.00 0.00 177.93 180.07 2k2b h PHE 84 N 1.01 0.02 0.00 2.45 -1.00 -1.26 0.13 116.94 118.28 2k2b h PHE 84 Ca 0.27 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.07 2k2b h PHE 84 Cb -0.08 0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.53 2k2b h PHE 84 CO -0.02 -0.04 0.00 0.87 -1.61 0.00 0.00 178.31 177.51 2k2b h LYS 85 N 0.12 0.00 0.09 1.51 1.57 -0.34 -2.34 116.57 117.19 2k2b h LYS 85 Ca 0.17 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2k2b h LYS 85 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2k2b h LYS 85 CO -0.27 0.00 -0.04 1.49 -0.57 0.00 0.00 179.45 180.05 2k2b h GLU 86 N 0.00 -0.12 0.00 3.15 4.81 0.27 0.44 114.58 123.13 2k2b h GLU 86 Ca 0.00 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 2k2b h GLU 86 Cb 0.61 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 2k2b h GLU 86 CO 0.00 0.34 -0.40 0.74 -0.73 0.00 0.00 179.01 178.97 2k2b h PHE 87 N -0.94 0.00 0.00 0.92 -1.00 -0.90 -2.91 116.94 112.11 2k2b h PHE 87 Ca -0.01 0.00 -0.22 0.00 2.81 0.00 0.00 57.97 60.55 2k2b h PHE 87 Cb 0.51 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.04 2k2b h PHE 87 CO 0.11 0.40 -1.57 0.00 -1.61 0.00 0.00 178.31 175.64 2k2b n TYR 89 N -4.40 0.82 -2.13 0.00 9.36 0.12 -4.36 117.16 116.56 2k2b n TYR 89 Ca -0.32 0.30 -0.30 0.00 3.32 0.00 0.00 57.90 60.90 2k2b n TYR 89 Cb 0.65 -1.15 -0.05 0.00 -0.63 0.00 0.00 39.34 38.16 2k2b n TYR 89 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 2k2b s LYS 90 N -2.58 2.67 -0.07 2.98 2.20 0.10 -4.67 119.74 120.38 2k2b s LYS 90 Ca -0.06 -1.10 0.20 0.00 -0.36 0.00 0.00 55.97 54.65 2k2b s LYS 90 Cb 0.08 -5.25 0.71 0.00 -1.51 0.00 0.00 37.83 31.86 2k2b s LYS 90 CO 0.83 -3.68 1.61 0.25 -0.36 0.00 0.00 175.35 174.00 2k2b n THR 91 N 7.66 1.53 -1.82 3.43 -2.24 -1.26 -4.55 114.28 117.03 2k2b n THR 91 Ca 0.44 -1.12 -0.42 0.00 -2.27 0.00 0.00 64.05 60.67 2k2b n THR 91 Cb 0.47 0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.94 2k2b n THR 91 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2k2b s SER 92 N -0.93 6.28 -0.28 3.42 0.15 -1.26 -4.88 113.70 116.19 2k2b s SER 92 Ca 0.51 2.19 -0.30 0.00 0.70 0.00 0.00 55.95 59.06 2k2b s SER 92 Cb 0.31 -2.53 -0.07 0.00 -1.71 0.00 0.00 66.02 62.02 2k2b s SER 92 CO 0.29 -1.26 2.23 0.00 1.20 0.00 0.00 173.24 175.70 2k2b n ALA 93 N 8.49 1.52 0.00 5.45 0.00 -1.26 -4.63 120.51 130.08 2k2b n ALA 93 Ca 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2k2b n ALA 93 Cb 0.43 -2.82 0.00 0.00 0.00 0.00 0.00 19.45 17.06 2k2b n ALA 93 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2k2b n HIS 94 N 11.41 -0.07 0.00 0.00 -0.00 -1.26 -5.04 115.22 120.26 2k2b n HIS 94 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.06 2k2b n HIS 94 Cb 0.39 0.08 0.00 0.00 -0.00 0.00 0.00 29.99 30.46 2k2b n HIS 94 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2k2b n GLY 95 N 1.00 3.02 3.69 -1.41 0.00 -1.17 -4.82 105.19 105.50 2k2b n GLY 95 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2k2b n GLY 95 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k2b s ILE 96 N -2.75 4.64 0.03 -0.61 -4.36 -1.26 -4.78 121.20 112.10 2k2b s ILE 96 Ca 0.00 1.92 -0.21 0.00 -0.26 0.00 0.00 60.65 62.10 2k2b s ILE 96 Cb 0.00 -4.23 -0.16 0.00 1.25 0.00 0.00 42.46 39.31 2k2b s ILE 96 CO 0.00 0.01 1.29 1.55 0.24 0.00 0.00 174.94 178.03 2k2b h PRO 97 N 7.17 0.33 -7.19 0.37 0.13 -1.87 -3.47 132.00 127.48 2k2b h PRO 97 Ca -0.32 -0.21 -0.42 0.00 -0.87 0.00 0.00 66.00 64.18 2k2b h PRO 97 Cb 1.15 0.02 0.20 0.00 0.13 0.00 0.00 31.00 32.51 2k2b h PRO 97 CO 0.86 0.79 0.03 -1.64 -0.23 0.00 0.00 178.00 177.80 2k2b s MET 98 N -4.08 -1.23 0.12 0.86 -1.94 -1.25 -4.97 119.30 106.82 2k2b s MET 98 Ca -0.14 0.48 -0.06 0.00 -1.71 0.00 0.00 55.69 54.25 2k2b s MET 98 Cb 0.04 -1.55 -0.12 0.00 2.01 0.00 0.00 34.83 35.21 2k2b s MET 98 CO 0.76 -3.83 1.28 0.97 -0.01 0.00 0.00 175.02 174.18 2k2b h ILE 99 N -2.69 1.37 0.00 2.53 -0.00 -1.90 -3.45 117.51 113.37 2k2b h ILE 99 Ca -0.55 -2.39 0.00 0.00 -0.00 0.00 0.00 64.86 61.92 2k2b h ILE 99 Cb 1.33 2.40 0.00 0.00 -0.00 0.00 0.00 36.82 40.55 2k2b h ILE 99 CO 0.45 0.72 0.00 0.61 -0.00 0.00 0.00 178.15 179.93 2k2b n GLY 100 N 0.97 0.71 3.02 8.18 0.00 -1.26 -5.06 105.19 111.75 2k2b n GLY 100 Ca -0.08 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 2k2b n GLY 100 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k2b s GLU 101 N 0.00 0.97 0.00 1.61 2.02 -1.26 -5.06 118.70 116.98 2k2b s GLU 101 Ca 0.00 -0.34 0.05 0.00 0.02 0.00 0.00 54.97 54.70 2k2b s GLU 101 Cb 0.00 -0.91 -0.01 0.00 0.10 0.00 0.00 34.13 33.31 2k2b s GLU 101 CO 0.00 0.15 -0.15 0.00 0.02 0.00 0.00 175.26 175.28 2k2b s ALA 102 N 0.06 1.26 -1.54 5.21 0.00 -1.26 -5.00 121.76 120.49 2k2b s ALA 102 Ca -0.01 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.24 2k2b s ALA 102 Cb -0.07 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.76 2k2b s ALA 102 CO 0.00 0.29 0.56 -0.35 0.00 0.00 0.00 175.76 176.27 2k2b n PRO 103 N 2.47 0.73 -2.38 0.00 -0.04 -1.26 -4.75 135.00 129.77 2k2b n PRO 103 Ca -0.15 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.91 2k2b n PRO 103 Cb 0.55 -1.17 -0.03 0.00 -0.04 0.00 0.00 33.50 32.81 2k2b n PRO 103 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2k2b s LEU 104 N -0.54 3.22 -0.58 1.53 0.20 -1.26 -4.96 118.68 116.28 2k2b s LEU 104 Ca 0.00 -0.15 -0.22 0.00 0.69 0.00 0.00 54.13 54.45 2k2b s LEU 104 Cb 0.00 -2.58 0.06 0.00 -0.43 0.00 0.00 46.19 43.24 2k2b s LEU 104 CO 0.00 -2.01 0.86 -1.61 -0.29 0.00 0.00 176.35 173.30 2k2b s GLU 105 N 6.15 3.18 -0.76 1.98 2.02 -1.26 -4.34 118.70 125.67 2k2b s GLU 105 Ca 0.46 -0.70 -0.26 0.00 0.02 0.00 0.00 54.97 54.50 2k2b s GLU 105 Cb -0.10 -4.14 -0.01 0.00 0.10 0.00 0.00 34.13 29.98 2k2b s GLU 105 CO 0.17 -1.55 1.74 -1.58 0.02 0.00 0.00 175.26 174.07 2k2b s HIS 106 N 3.59 1.90 0.22 1.61 5.65 -1.26 -4.86 115.29 122.13 2k2b s HIS 106 Ca 0.22 0.42 -0.08 0.00 0.25 0.00 0.00 55.06 55.88 2k2b s HIS 106 Cb -0.17 -4.23 0.33 0.00 -1.18 0.00 0.00 32.58 27.33 2k2b s HIS 106 CO 0.13 -2.07 1.74 1.25 -0.65 0.00 0.00 174.74 175.14 2k2b h HIS 107 N 12.53 0.42 -0.89 3.88 2.76 -2.01 -3.30 115.15 128.53 2k2b h HIS 107 Ca -0.11 0.03 -0.48 0.00 -2.20 0.00 0.00 60.37 57.61 2k2b h HIS 107 Cb 1.08 -0.09 -0.08 0.00 1.55 0.00 0.00 27.41 29.88 2k2b h HIS 107 CO 1.13 0.08 1.29 -1.58 -1.30 0.00 0.00 177.93 177.55 2k2b s HIS 108 N -6.07 2.27 -0.46 5.26 5.65 -1.26 -4.76 115.29 115.92 2k2b s HIS 108 Ca -0.13 -0.33 0.24 0.00 0.25 0.00 0.00 55.06 55.09 2k2b s HIS 108 Cb 0.18 -4.43 0.28 0.00 -1.18 0.00 0.00 32.58 27.43 2k2b s HIS 108 CO 0.75 -1.80 1.34 0.45 -0.65 0.00 0.00 174.74 174.84 2k2b h HIS 109 N 10.03 0.00 -3.86 3.88 3.86 -1.98 -3.47 115.15 123.61 2k2b h HIS 109 Ca 0.20 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.91 2k2b h HIS 109 Cb 0.99 0.00 0.05 0.00 1.06 0.00 0.00 27.41 29.50 2k2b h HIS 109 CO 1.27 0.00 0.23 -1.01 0.86 0.00 0.00 177.93 179.28 2k2b s HIS 110 N -3.24 3.57 -2.00 2.45 3.76 -1.26 -5.15 115.29 113.41 2k2b s HIS 110 Ca 0.05 0.98 0.12 0.00 -0.15 0.00 0.00 55.06 56.05 2k2b s HIS 110 Cb 0.10 -2.48 0.70 0.00 1.11 0.00 0.00 32.58 32.01 2k2b s HIS 110 CO 0.72 -0.46 1.14 -2.39 -0.85 0.00 0.00 174.74 172.89