#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2b s SER 2 N 0.00 6.53 0.37 6.12 0.01 -1.26 -4.99 113.70 120.47 2k2b s SER 2 Ca 0.00 0.68 0.05 0.00 1.31 0.00 0.00 55.95 57.99 2k2b s SER 2 Cb 0.00 -2.13 0.73 0.00 0.21 0.00 0.00 66.02 64.83 2k2b s SER 2 CO 0.00 0.02 2.00 -0.50 0.41 0.00 0.00 173.24 175.17 2k2b h TRP 3 N 2.75 0.73 -0.83 2.43 4.06 -1.99 -1.92 115.95 121.18 2k2b h TRP 3 Ca -0.46 0.02 0.19 0.00 2.06 0.00 0.00 58.89 60.69 2k2b h TRP 3 Cb 1.17 -0.24 -0.11 0.00 -1.00 0.00 0.00 29.16 28.97 2k2b h TRP 3 CO 0.61 0.43 0.32 0.52 -3.56 0.00 0.00 178.44 176.76 2k2b h MET 4 N 0.76 0.37 0.26 0.49 2.86 -1.93 0.92 114.93 118.65 2k2b h MET 4 Ca 0.25 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.86 2k2b h MET 4 Cb 0.07 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.65 2k2b h MET 4 CO -0.07 0.25 -0.12 1.96 1.06 0.00 0.00 176.91 179.98 2k2b h GLN 5 N 0.38 -0.34 -1.00 1.72 4.20 -1.60 0.40 115.11 118.88 2k2b h GLN 5 Ca 0.49 0.02 0.19 0.00 0.06 0.00 0.00 58.65 59.42 2k2b h GLN 5 Cb 0.87 0.08 -0.11 0.00 0.30 0.00 0.00 27.48 28.62 2k2b h GLN 5 CO -0.50 -0.15 0.61 -0.97 -0.67 0.00 0.00 178.83 177.16 2k2b h ASN 6 N -0.45 0.77 0.83 1.46 -0.00 -0.78 -0.80 115.58 116.61 2k2b h ASN 6 Ca -0.04 0.10 -0.16 0.00 -0.00 0.00 0.00 56.30 56.21 2k2b h ASN 6 Cb 0.34 -0.04 -0.03 0.00 -0.00 0.00 0.00 38.32 38.60 2k2b h ASN 6 CO 0.06 0.26 -1.27 -0.07 -0.00 0.00 0.00 177.43 176.42 2k2b h LEU 7 N 0.74 0.00 -1.79 0.34 4.07 -0.87 -3.35 115.31 114.45 2k2b h LEU 7 Ca 0.58 0.00 0.03 0.00 0.08 0.00 0.00 57.88 58.58 2k2b h LEU 7 Cb 0.93 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.65 2k2b h LEU 7 CO -0.38 0.56 0.21 0.50 -1.08 0.00 0.00 178.44 178.24 2k2b h LYS 8 N 0.00 0.26 -0.92 1.13 3.64 0.13 -1.76 116.57 119.06 2k2b h LYS 8 Ca -0.13 -0.02 0.25 0.00 -1.27 0.00 0.00 60.65 59.48 2k2b h LYS 8 Cb 1.54 -0.06 -0.16 0.00 -0.41 0.00 0.00 32.23 33.14 2k2b h LYS 8 CO 0.05 0.17 0.10 -0.91 -2.27 0.00 0.00 179.45 176.60 2k2b h ASN 9 N 0.27 -0.29 0.00 4.20 2.35 -1.63 -3.43 115.58 117.05 2k2b h ASN 9 Ca 0.13 0.24 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 2k2b h ASN 9 Cb 0.17 0.39 0.00 0.00 0.05 0.00 0.00 38.32 38.93 2k2b h ASN 9 CO -0.03 -0.28 0.00 0.00 -1.65 0.00 0.00 177.43 175.48 2k2b n TYR 10 N -5.38 0.00 -3.55 1.19 0.18 -0.66 -4.83 117.16 104.10 2k2b n TYR 10 Ca 0.22 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.59 2k2b n TYR 10 Cb 0.71 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.58 2k2b n TYR 10 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 2k2b s GLN 11 N -0.07 2.62 0.53 -3.48 -0.21 -1.22 -4.89 119.66 112.93 2k2b s GLN 11 Ca 0.00 -1.57 0.28 0.00 0.02 0.00 0.00 55.36 54.10 2k2b s GLN 11 Cb 0.00 -3.89 1.42 0.00 1.00 0.00 0.00 33.01 31.54 2k2b s GLN 11 CO 0.00 -1.06 1.92 1.12 -2.12 0.00 0.00 175.29 175.15 2k2b h HIS 12 N 8.48 0.04 -3.28 0.91 2.07 -2.00 -3.35 115.15 118.02 2k2b h HIS 12 Ca -0.23 0.00 -0.55 0.00 -2.85 0.00 0.00 60.37 56.74 2k2b h HIS 12 Cb 1.08 -0.01 -0.35 0.00 2.57 0.00 0.00 27.41 30.70 2k2b h HIS 12 CO 0.63 0.01 -0.82 -0.51 -3.07 0.00 0.00 177.93 174.17 2k2b s LEU 13 N -8.67 1.55 -0.87 6.12 1.43 -1.26 -5.08 118.68 111.90 2k2b s LEU 13 Ca -0.05 -0.36 -0.22 0.00 -1.03 0.00 0.00 54.13 52.47 2k2b s LEU 13 Cb 0.21 -0.94 -0.22 0.00 0.03 0.00 0.00 46.19 45.27 2k2b s LEU 13 CO 0.76 -0.02 2.43 -2.11 0.23 0.00 0.00 176.35 177.64 2k2b n ARG 14 N 4.30 0.28 -3.17 1.70 0.00 -1.26 -4.92 116.66 113.60 2k2b n ARG 14 Ca -0.18 -0.15 -0.41 0.00 -0.00 0.00 0.00 57.85 57.10 2k2b n ARG 14 Cb 0.51 -2.07 -0.07 0.00 -0.00 0.00 0.00 32.46 30.83 2k2b n ARG 14 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2k2b s ASP 15 N 7.03 6.40 0.53 2.89 -1.08 -1.26 -4.96 116.67 126.22 2k2b s ASP 15 Ca 1.21 0.16 0.31 0.00 -0.52 0.00 0.00 52.55 53.71 2k2b s ASP 15 Cb -0.74 -2.30 1.39 0.00 -1.46 0.00 0.00 42.92 39.81 2k2b s ASP 15 CO 0.40 -0.51 2.00 1.55 0.52 0.00 0.00 175.17 179.14 2k2b h PRO 16 N 8.38 0.00 0.39 4.34 0.13 -1.98 -3.35 132.00 139.91 2k2b h PRO 16 Ca -0.27 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.85 2k2b h PRO 16 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 2k2b h PRO 16 CO 0.80 0.08 -0.43 0.77 -0.23 0.00 0.00 178.00 178.98 2k2b h SER 17 N 0.00 -1.20 -0.22 1.44 0.02 -1.99 -0.25 113.55 111.36 2k2b h SER 17 Ca -0.00 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 2k2b h SER 17 Cb 0.48 0.40 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 2k2b h SER 17 CO 0.01 -0.55 0.01 -0.33 -1.14 0.00 0.00 176.83 174.83 2k2b h GLU 18 N -0.83 0.37 -0.46 3.45 4.39 -1.98 -1.77 114.58 117.75 2k2b h GLU 18 Ca -0.05 -0.11 0.09 0.00 0.34 0.00 0.00 59.36 59.63 2k2b h GLU 18 Cb 0.73 -0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 29.25 2k2b h GLU 18 CO -0.08 0.55 -0.16 1.88 -1.16 0.00 0.00 179.01 180.05 2k2b h TYR 19 N 0.15 -0.38 -0.51 4.33 0.05 -1.69 0.51 116.97 119.43 2k2b h TYR 19 Ca 0.06 0.05 0.05 0.00 0.05 0.00 0.00 58.73 58.94 2k2b h TYR 19 Cb 0.38 0.24 -0.03 0.00 1.01 0.00 0.00 36.73 38.33 2k2b h TYR 19 CO 0.03 -0.25 0.34 1.98 -1.05 0.00 0.00 178.16 179.21 2k2b h MET 20 N -0.06 0.48 0.00 4.88 4.05 -0.85 -2.12 114.93 121.31 2k2b h MET 20 Ca 0.22 -0.03 -0.21 0.00 -0.28 0.00 0.00 59.70 59.40 2k2b h MET 20 Cb 0.40 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 31.06 2k2b h MET 20 CO -0.50 0.32 -1.13 1.03 0.23 0.00 0.00 176.91 176.85 2k2b h SER 21 N 0.50 0.00 0.33 1.39 0.87 -0.15 -3.39 113.55 113.10 2k2b h SER 21 Ca 0.21 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.76 2k2b h SER 21 Cb 0.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2k2b h SER 21 CO -0.06 0.89 -0.16 1.56 -0.53 0.00 0.00 176.83 178.54 2k2b h GLN 22 N 0.00 -0.43 -5.04 2.24 4.20 0.61 -3.44 115.11 113.26 2k2b h GLN 22 Ca -0.09 0.03 -0.63 0.00 0.06 0.00 0.00 58.65 58.02 2k2b h GLN 22 Cb 1.76 0.10 -0.17 0.00 0.30 0.00 0.00 27.48 29.47 2k2b h GLN 22 CO 0.10 -0.10 -0.54 0.08 -0.67 0.00 0.00 178.83 177.71 2k2b s VAL 23 N -4.31 5.08 0.19 -0.54 1.01 -1.07 -3.34 120.40 117.42 2k2b s VAL 23 Ca -0.13 0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2k2b s VAL 23 Cb 0.02 -3.38 -0.10 0.00 0.00 0.00 0.00 36.38 32.92 2k2b s VAL 23 CO 0.49 0.33 1.46 0.22 0.00 0.00 0.00 175.10 177.60 2k2b h TYR 24 N 7.78 0.34 -1.16 5.22 3.20 -1.86 -3.34 116.97 127.14 2k2b h TYR 24 Ca -0.37 -0.16 -0.51 0.00 3.14 0.00 0.00 58.73 60.83 2k2b h TYR 24 Cb 1.18 -0.05 -0.08 0.00 1.54 0.00 0.00 36.73 39.31 2k2b h TYR 24 CO 0.68 0.90 1.26 0.20 -1.64 0.00 0.00 178.16 179.56 2k2b s GLY 25 N -4.40 0.90 -0.47 1.82 0.00 -1.26 -4.39 107.32 99.52 2k2b s GLY 25 Ca -0.04 -1.92 -0.22 0.00 0.00 0.00 0.00 44.72 42.55 2k2b s GLY 25 CO 0.82 2.92 0.63 1.22 0.00 0.00 0.00 173.10 178.69 2k2b n ASP 26 N 10.40 -7.04 -0.27 1.64 8.00 -1.26 -4.62 116.55 123.40 2k2b n ASP 26 Ca 0.32 0.21 0.27 0.00 0.71 0.00 0.00 54.79 56.30 2k2b n ASP 26 Cb 0.50 -4.05 0.63 0.00 -0.02 0.00 0.00 41.12 38.18 2k2b n ASP 26 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 2k2b h PRO 27 N 1.83 0.18 -0.74 -0.24 0.11 -1.77 0.22 132.00 131.60 2k2b h PRO 27 Ca -0.21 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.85 2k2b h PRO 27 Cb 1.15 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 2k2b h PRO 27 CO 0.22 0.12 0.32 -0.07 -0.21 0.00 0.00 178.00 178.38 2k2b h LEU 28 N 0.18 1.00 0.00 2.35 -0.00 -1.92 0.95 115.31 117.87 2k2b h LEU 28 Ca 0.52 -0.16 -0.00 0.00 -0.00 0.00 0.00 57.88 58.24 2k2b h LEU 28 Cb 1.71 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 42.11 2k2b h LEU 28 CO -0.12 0.88 -0.00 0.00 -0.00 0.00 0.00 178.44 179.20 2k2b h ALA 29 N 1.16 -0.00 -0.33 1.53 0.00 -1.26 -2.03 119.26 118.32 2k2b h ALA 29 Ca 0.25 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2k2b h ALA 29 Cb 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2k2b h ALA 29 CO -0.02 -0.39 0.13 -0.92 0.00 0.00 0.00 179.25 178.05 2k2b h TYR 30 N -0.24 0.45 0.13 0.00 3.20 -1.37 0.66 116.97 119.79 2k2b h TYR 30 Ca -0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2k2b h TYR 30 Cb 0.24 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.36 2k2b h TYR 30 CO 0.00 0.36 -0.06 1.25 -1.64 0.00 0.00 178.16 178.07 2k2b h LEU 31 N 0.46 -0.14 -0.75 2.82 5.85 -0.62 0.48 115.31 123.39 2k2b h LEU 31 Ca 0.11 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 2k2b h LEU 31 Cb 0.10 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2k2b h LEU 31 CO -0.01 -0.06 0.33 -0.61 -0.34 0.00 0.00 178.44 177.75 2k2b h GLN 32 N -0.21 1.10 0.64 1.25 5.75 -0.94 -1.82 115.11 120.88 2k2b h GLN 32 Ca -0.02 -0.18 -0.02 0.00 -0.15 0.00 0.00 58.65 58.28 2k2b h GLN 32 Cb 0.17 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 2k2b h GLN 32 CO 0.03 0.88 -0.43 1.49 -2.65 0.00 0.00 178.83 178.15 2k2b h GLU 33 N 1.07 -0.98 -0.49 1.69 4.22 -0.73 -2.44 114.58 116.92 2k2b h GLU 33 Ca 0.25 0.07 -0.07 0.00 0.08 0.00 0.00 59.36 59.69 2k2b h GLU 33 Cb 0.16 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2k2b h GLU 33 CO -0.03 -0.65 0.00 1.79 -2.18 0.00 0.00 179.01 177.94 2k2b h THR 34 N -1.02 1.24 0.00 0.32 1.35 -0.85 0.67 112.91 114.63 2k2b h THR 34 Ca -0.08 -1.01 -0.03 0.00 -0.55 0.00 0.00 66.41 64.74 2k2b h THR 34 Cb 0.83 0.86 -0.00 0.00 -1.73 0.00 0.00 68.15 68.11 2k2b h THR 34 CO 0.06 0.36 -0.13 0.00 -0.25 0.00 0.00 175.52 175.56 2k2b h THR 35 N 0.77 0.62 0.00 6.82 1.03 -1.35 0.16 112.91 120.95 2k2b h THR 35 Ca 0.15 -0.56 0.00 0.00 -0.01 0.00 0.00 66.41 65.99 2k2b h THR 35 Cb 0.46 1.36 0.00 0.00 -1.07 0.00 0.00 68.15 68.89 2k2b h THR 35 CO 0.02 0.13 -0.75 0.11 -0.01 0.00 0.00 175.52 175.02 2k2b h LYS 36 N 0.00 0.00 -4.34 0.00 1.79 -0.66 -3.48 116.57 109.87 2k2b h LYS 36 Ca -0.00 0.00 -0.41 0.00 -2.18 0.00 0.00 60.65 58.06 2k2b h LYS 36 Cb 0.35 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 31.04 2k2b h LYS 36 CO 0.02 0.00 -0.59 1.19 -1.08 0.00 0.00 179.45 178.98 2k2b n PHE 37 N -2.37 -1.84 -2.33 -1.35 3.72 0.22 -4.23 117.46 109.28 2k2b n PHE 37 Ca 0.02 0.45 -0.03 0.00 -0.05 0.00 0.00 57.45 57.84 2k2b n PHE 37 Cb 0.49 -4.34 -0.03 0.00 -0.94 0.00 0.00 39.48 34.66 2k2b n PHE 37 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2k2b n VAL 38 N -4.41-11.71 0.01 -4.37 0.31 -0.37 -4.95 118.33 92.83 2k2b n VAL 38 Ca -0.13 2.54 -0.03 0.00 -0.01 0.00 0.00 64.34 66.72 2k2b n VAL 38 Cb 0.63 -5.97 -0.01 0.00 -0.91 0.00 0.00 33.84 27.58 2k2b n VAL 38 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2k2b n THR 39 N 1.51 1.25 -3.46 2.52 -2.24 -1.26 -5.09 114.28 107.51 2k2b n THR 39 Ca -0.23 0.32 -0.21 0.00 -2.27 0.00 0.00 64.05 61.65 2k2b n THR 39 Cb 0.36 -1.79 -0.00 0.00 -2.10 0.00 0.00 70.33 66.80 2k2b n THR 39 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2k2b s GLU 40 N -2.21 2.46 0.44 -0.78 0.41 -1.26 -5.00 118.70 112.76 2k2b s GLU 40 Ca -0.08 -1.63 0.18 0.00 -0.41 0.00 0.00 54.97 53.02 2k2b s GLU 40 Cb 0.01 -2.41 1.12 0.00 -1.78 0.00 0.00 34.13 31.06 2k2b s GLU 40 CO 0.12 -0.43 1.91 -0.09 -0.49 0.00 0.00 175.26 176.28 2k2b h ARG 41 N 0.74 0.34 -0.95 1.61 9.65 -1.99 -1.41 114.38 122.37 2k2b h ARG 41 Ca -0.38 -0.02 0.29 0.00 -1.10 0.00 0.00 59.98 58.77 2k2b h ARG 41 Cb 1.28 -0.08 -0.16 0.00 -1.39 0.00 0.00 29.97 29.62 2k2b h ARG 41 CO 0.52 0.22 0.25 0.93 2.80 0.00 0.00 179.97 184.70 2k2b h GLU 42 N 0.35 0.10 0.06 0.20 5.08 -1.94 0.85 114.58 119.28 2k2b h GLU 42 Ca 0.38 -0.01 -0.30 0.00 -1.00 0.00 0.00 59.36 58.43 2k2b h GLU 42 Cb 0.98 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 2k2b h GLU 42 CO -0.11 0.07 -1.65 1.88 -1.00 0.00 0.00 179.01 178.20 2k2b h TYR 43 N 0.10 0.24 0.00 4.33 0.05 -1.39 -1.68 116.97 118.61 2k2b h TYR 43 Ca 0.64 -0.17 -0.03 0.00 0.05 0.00 0.00 58.73 59.22 2k2b h TYR 43 Cb 1.43 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 39.15 2k2b h TYR 43 CO -0.28 1.28 -0.15 1.88 -1.05 0.00 0.00 178.16 179.84 2k2b h TYR 44 N 0.04 0.00 0.01 4.88 0.05 -1.00 -3.37 116.97 117.58 2k2b h TYR 44 Ca -0.27 0.00 -0.32 0.00 0.05 0.00 0.00 58.73 58.19 2k2b h TYR 44 Cb 2.00 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 39.69 2k2b h TYR 44 CO 0.04 0.15 -1.74 -1.91 -1.05 0.00 0.00 178.16 173.64 2k2b n GLU 45 N -3.24 0.60 0.01 4.88 2.13 0.28 -4.65 120.64 120.64 2k2b n GLU 45 Ca 0.01 0.44 0.00 0.00 0.66 0.00 0.00 57.16 58.27 2k2b n GLU 45 Cb 0.43 -1.67 0.00 0.00 0.27 0.00 0.00 31.44 30.48 2k2b n GLU 45 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2k2b n ASP 46 N -4.23 -0.03 -4.55 4.31 8.00 -1.17 -4.92 116.55 113.95 2k2b n ASP 46 Ca -0.39 0.02 -0.41 0.00 0.71 0.00 0.00 54.79 54.72 2k2b n ASP 46 Cb 0.79 0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.99 2k2b n ASP 46 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2k2b s PHE 47 N -2.00 2.50 0.00 1.24 0.08 -0.64 -4.22 117.98 114.94 2k2b s PHE 47 Ca 0.00 -0.70 0.00 0.00 0.12 0.00 0.00 56.93 56.35 2k2b s PHE 47 Cb 0.00 -4.66 0.00 0.00 -0.57 0.00 0.00 43.02 37.79 2k2b s PHE 47 CO 0.00 -1.95 0.00 0.41 -0.10 0.00 0.00 175.22 173.58 2k2b n GLY 48 N 6.51 -1.33 3.77 4.36 0.00 -1.26 -4.01 105.19 113.23 2k2b n GLY 48 Ca 0.26 0.51 -0.41 0.00 0.00 0.00 0.00 46.02 46.38 2k2b n GLY 48 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2k2b n TYR 49 N 0.00 2.98 0.00 1.61 4.02 -1.26 -4.54 117.16 119.97 2k2b n TYR 49 Ca 0.00 0.41 0.00 0.00 -0.01 0.00 0.00 57.90 58.30 2k2b n TYR 49 Cb 0.00 -2.55 0.00 0.00 -0.02 0.00 0.00 39.34 36.77 2k2b n TYR 49 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2k2b n GLY 50 N 0.74 0.76 0.09 2.72 0.00 -1.26 -4.49 105.19 103.75 2k2b n GLY 50 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.14 2k2b n GLY 50 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2k2b n GLU 51 N 0.00 0.11 0.00 1.61 0.28 -1.26 -0.73 120.64 120.65 2k2b n GLU 51 Ca 0.00 0.41 0.08 0.00 -0.16 0.00 0.00 57.16 57.49 2k2b n GLU 51 Cb 0.00 -1.74 0.35 0.00 1.43 0.00 0.00 31.44 31.48 2k2b n GLU 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2k2b n PHE 53 N -1.47 0.00 -1.30 0.00 -0.00 0.09 -2.26 117.46 112.52 2k2b n PHE 53 Ca 0.04 0.00 -0.32 0.00 -0.00 0.00 0.00 57.45 57.17 2k2b n PHE 53 Cb 0.18 -0.17 0.10 0.00 -0.00 0.00 0.00 39.48 39.59 2k2b n PHE 53 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 2k2b s ASN 54 N -5.75 4.19 0.25 -2.13 2.47 -0.48 -4.24 114.94 109.25 2k2b s ASN 54 Ca -0.08 2.11 0.10 0.00 0.42 0.00 0.00 52.86 55.41 2k2b s ASN 54 Cb 0.02 -2.56 0.28 0.00 -1.45 0.00 0.00 41.25 37.54 2k2b s ASN 54 CO 0.10 -2.25 1.56 -1.28 -3.72 0.00 0.00 177.10 171.51 2k2b h SER 55 N -0.78 0.00 -3.42 -4.21 0.87 -1.91 -3.43 113.55 100.67 2k2b h SER 55 Ca -0.45 0.00 -0.60 0.00 -1.23 0.00 0.00 61.79 59.50 2k2b h SER 55 Cb 1.26 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 63.12 2k2b h SER 55 CO 0.49 0.67 0.32 -0.89 -0.53 0.00 0.00 176.83 176.89 2k2b s THR 56 N -3.47 4.87 0.49 2.23 2.01 -1.26 -5.06 115.64 115.46 2k2b s THR 56 Ca -0.01 1.24 0.04 0.00 0.31 0.00 0.00 61.69 63.27 2k2b s THR 56 Cb 0.12 -4.06 0.04 0.00 0.01 0.00 0.00 72.50 68.61 2k2b s THR 56 CO 0.77 -0.11 0.35 -1.84 -0.69 0.00 0.00 174.62 173.10 2k2b n GLU 57 N 5.98 0.77 -1.27 4.92 0.28 -1.26 -4.63 120.64 125.42 2k2b n GLU 57 Ca 0.02 -3.09 0.00 0.00 -0.16 0.00 0.00 57.16 53.94 2k2b n GLU 57 Cb 0.48 0.35 0.00 0.00 1.43 0.00 0.00 31.44 33.71 2k2b n GLU 57 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2k2b n SER 58 N -1.82 0.00 -0.68 -1.84 2.88 -1.26 -5.05 113.62 105.85 2k2b n SER 58 Ca -0.03 -0.95 0.06 0.00 -1.33 0.00 0.00 58.87 56.63 2k2b n SER 58 Cb 0.56 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 64.16 2k2b n SER 58 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2k2b n GLU 59 N 0.00 2.22 -0.99 -1.46 2.13 -1.26 -4.92 120.64 116.36 2k2b n GLU 59 Ca 0.00 -1.88 -0.19 0.00 0.66 0.00 0.00 57.16 55.75 2k2b n GLU 59 Cb 0.00 -1.29 0.15 0.00 0.27 0.00 0.00 31.44 30.56 2k2b n GLU 59 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 2k2b n VAL 60 N 0.70 0.00 0.72 6.31 0.24 -1.26 -4.92 118.33 120.11 2k2b n VAL 60 Ca 0.12 -0.50 0.08 0.00 -2.04 0.00 0.00 64.34 62.00 2k2b n VAL 60 Cb 0.42 -1.46 0.39 0.00 -1.47 0.00 0.00 33.84 31.72 2k2b n VAL 60 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k2b n GLN 61 N -3.18 0.20 0.02 7.34 6.02 -1.26 -3.80 117.38 122.72 2k2b n GLN 61 Ca 0.10 0.15 -0.01 0.00 -0.01 0.00 0.00 57.00 57.23 2k2b n GLN 61 Cb 0.38 -1.50 0.27 0.00 1.02 0.00 0.00 30.24 30.40 2k2b n GLN 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k2b n GLU 63 N -4.21 2.36 -2.08 0.00 2.13 -1.25 -4.73 120.64 112.85 2k2b n GLU 63 Ca 0.01 -0.51 -0.33 0.00 0.66 0.00 0.00 57.16 56.99 2k2b n GLU 63 Cb 0.31 -1.04 -0.04 0.00 0.27 0.00 0.00 31.44 30.94 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 -1.68 3.23 0.00 4.31 2.96 -1.14 -4.81 118.68 121.55 2k2b s LEU 64 Ca 0.07 -0.26 0.21 0.00 -0.22 0.00 0.00 54.13 53.93 2k2b s LEU 64 Cb 0.07 -2.55 0.99 0.00 0.50 0.00 0.00 46.19 45.21 2k2b s LEU 64 CO 0.25 -2.51 1.66 -0.38 -1.32 0.00 0.00 176.35 174.06 2k2b n ILE 65 N 7.50 0.44 0.19 6.68 5.41 -1.26 -3.42 119.36 134.89 2k2b n ILE 65 Ca 0.30 0.11 0.05 0.00 1.00 0.00 0.00 62.75 64.20 2k2b n ILE 65 Cb 0.49 -0.76 0.21 0.00 -0.71 0.00 0.00 39.64 38.87 2k2b n ILE 65 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 2k2b n THR 66 N -1.36 1.49 0.00 1.39 5.66 -1.26 -4.74 114.28 115.46 2k2b n THR 66 Ca 0.08 0.45 0.00 0.00 -3.05 0.00 0.00 64.05 61.53 2k2b n THR 66 Cb 0.19 -1.37 0.00 0.00 -1.55 0.00 0.00 70.33 67.60 2k2b n THR 66 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k2b n GLY 67 N -0.94 0.91 0.17 1.09 0.00 -1.22 -4.98 105.19 100.21 2k2b n GLY 67 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 2k2b n GLY 67 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2k2b h GLU 68 N 0.00 0.38 0.04 1.61 4.39 -1.85 -2.59 114.58 116.57 2k2b h GLU 68 Ca 0.00 -0.33 -0.30 0.00 0.34 0.00 0.00 59.36 59.07 2k2b h GLU 68 Cb 0.00 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.69 2k2b h GLU 68 CO 0.00 0.98 -1.71 0.27 -1.16 0.00 0.00 179.01 177.39 2k2b h PHE 69 N 0.25 0.16 -2.77 4.33 -5.15 -1.68 -3.42 116.94 108.67 2k2b h PHE 69 Ca -0.04 -0.12 -0.57 0.00 -0.20 0.00 0.00 57.97 57.04 2k2b h PHE 69 Cb 1.34 -0.01 -0.40 0.00 0.22 0.00 0.00 35.95 37.11 2k2b h PHE 69 CO 0.04 1.22 -0.80 0.34 -2.00 0.00 0.00 178.31 177.11 2k2b s ASP 70 N -6.45 3.36 0.41 -0.68 2.15 -1.22 -4.88 116.67 109.35 2k2b s ASP 70 Ca -0.09 -1.96 -0.10 0.00 0.43 0.00 0.00 52.55 50.84 2k2b s ASP 70 Cb 0.08 -0.55 -0.06 0.00 -0.30 0.00 0.00 42.92 42.09 2k2b s ASP 70 CO 0.82 -0.35 0.76 -2.16 -0.17 0.00 0.00 175.17 174.07 2k2b s PRO 71 N 1.29 3.74 0.00 4.34 0.04 -0.98 -4.28 135.00 139.15 2k2b s PRO 71 Ca 0.15 0.41 0.14 0.00 0.04 0.00 0.00 61.00 61.74 2k2b s PRO 71 Cb -0.21 -2.40 0.83 0.00 0.04 0.00 0.00 34.50 32.76 2k2b s PRO 71 CO -0.12 -0.05 1.27 0.36 0.04 0.00 0.00 177.00 178.51 2k2b n LYS 72 N -1.40 0.42 0.17 4.56 2.85 -1.26 -2.10 118.16 121.41 2k2b n LYS 72 Ca 0.02 0.01 0.08 0.00 -1.05 0.00 0.00 58.31 57.38 2k2b n LYS 72 Cb 0.54 -1.50 0.09 0.00 -0.65 0.00 0.00 35.03 33.51 2k2b n LYS 72 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 2k2b h LEU 73 N 0.00 0.00 -9.68 -5.58 7.12 -1.96 -3.46 115.31 101.74 2k2b h LEU 73 Ca 0.00 0.00 -0.53 0.00 0.13 0.00 0.00 57.88 57.48 2k2b h LEU 73 Cb 0.01 0.00 0.05 0.00 -0.53 0.00 0.00 40.66 40.19 2k2b h LEU 73 CO 0.00 0.19 0.80 -0.22 -0.13 0.00 0.00 178.44 179.08 2k2b s LEU 74 N -6.18 4.38 0.03 2.25 0.20 -0.89 -4.97 118.68 113.50 2k2b s LEU 74 Ca 0.05 2.62 -0.30 0.00 0.69 0.00 0.00 54.13 57.19 2k2b s LEU 74 Cb 0.06 -3.61 -0.05 0.00 -0.43 0.00 0.00 46.19 42.16 2k2b s LEU 74 CO 0.71 -0.74 1.26 -2.16 -0.29 0.00 0.00 176.35 175.13 2k2b s PRO 75 N 0.25 4.38 -0.67 0.98 0.04 -1.26 -4.95 135.00 133.76 2k2b s PRO 75 Ca 0.63 1.82 -0.26 0.00 0.04 0.00 0.00 61.00 63.23 2k2b s PRO 75 Cb -0.42 -3.42 -0.02 0.00 0.04 0.00 0.00 34.50 30.68 2k2b s PRO 75 CO 0.38 -0.37 1.83 0.71 0.04 0.00 0.00 177.00 179.59 2k2b s TYR 76 N 1.56 1.73 -0.07 0.56 2.02 -1.26 -4.77 117.35 117.13 2k2b s TYR 76 Ca 0.60 0.68 0.01 0.00 -0.37 0.00 0.00 57.07 57.98 2k2b s TYR 76 Cb -0.30 -4.13 -0.03 0.00 -0.40 0.00 0.00 41.96 37.11 2k2b s TYR 76 CO 0.27 -2.20 -0.05 0.34 -1.57 0.00 0.00 175.55 172.34 2k2b s ASP 77 N 7.76 4.77 0.08 2.29 2.15 -1.26 -5.00 116.67 127.45 2k2b s ASP 77 Ca 0.65 0.00 -0.32 0.00 0.43 0.00 0.00 52.55 53.32 2k2b s ASP 77 Cb -0.11 -1.22 -0.15 0.00 -0.30 0.00 0.00 42.92 41.14 2k2b s ASP 77 CO 0.17 0.36 1.49 0.11 -0.17 0.00 0.00 175.17 177.13 2k2b h LYS 78 N 5.16 -0.83 0.19 4.34 1.57 -1.98 0.16 116.57 125.20 2k2b h LYS 78 Ca -0.49 0.06 -0.31 0.00 -1.87 0.00 0.00 60.65 58.03 2k2b h LYS 78 Cb 1.18 0.19 0.02 0.00 0.08 0.00 0.00 32.23 33.69 2k2b h LYS 78 CO 0.53 -0.55 -1.43 0.00 -0.57 0.00 0.00 179.45 177.43 2k2b h ARG 79 N -0.86 0.41 0.48 3.15 3.08 -1.98 -1.89 114.38 116.76 2k2b h ARG 79 Ca -0.05 -0.70 -0.02 0.00 0.07 0.00 0.00 59.98 59.28 2k2b h ARG 79 Cb 0.76 0.26 0.00 0.00 0.08 0.00 0.00 29.97 31.07 2k2b h ARG 79 CO -0.09 1.32 -0.25 1.25 -1.07 0.00 0.00 179.97 181.13 2k2b h LEU 80 N 0.11 -0.62 -1.23 3.04 6.46 -1.97 -2.54 115.31 118.57 2k2b h LEU 80 Ca -0.22 0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 57.51 2k2b h LEU 80 Cb 2.08 0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 42.17 2k2b h LEU 80 CO 0.23 -0.42 -0.05 0.00 -0.62 0.00 0.00 178.44 177.58 2k2b h ALA 81 N -0.16 1.37 -0.07 1.25 0.00 -0.79 -2.03 119.26 118.82 2k2b h ALA 81 Ca -0.06 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.65 2k2b h ALA 81 Cb 0.53 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2k2b h ALA 81 CO 0.09 0.43 -0.36 2.35 0.00 0.00 0.00 179.25 181.76 2k2b h TRP 82 N 0.44 -1.06 -0.35 0.00 7.01 -1.06 0.76 115.95 121.68 2k2b h TRP 82 Ca 0.09 0.04 -0.14 0.00 2.11 0.00 0.00 58.89 60.99 2k2b h TRP 82 Cb 0.37 0.47 -0.01 0.00 -2.10 0.00 0.00 29.16 27.90 2k2b h TRP 82 CO 0.01 -0.36 -0.36 0.45 -2.79 0.00 0.00 178.44 175.39 2k2b h HIS 83 N -0.40 0.96 -0.66 2.65 3.86 -1.40 0.22 115.15 120.38 2k2b h HIS 83 Ca 0.02 -0.27 -0.02 0.00 -1.16 0.00 0.00 60.37 58.94 2k2b h HIS 83 Cb 0.45 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.69 2k2b h HIS 83 CO -0.52 1.05 0.34 0.74 0.86 0.00 0.00 177.93 180.40 2k2b h PHE 84 N 0.67 0.93 -0.10 2.45 -1.00 -1.26 0.05 116.94 118.69 2k2b h PHE 84 Ca 0.06 -0.04 -0.23 0.00 2.81 0.00 0.00 57.97 60.57 2k2b h PHE 84 Cb 0.92 -0.29 0.01 0.00 3.61 0.00 0.00 35.95 40.20 2k2b h PHE 84 CO 0.05 0.69 -0.85 0.87 -1.61 0.00 0.00 178.31 177.46 2k2b h LYS 85 N 0.91 0.75 -0.37 1.51 6.56 -0.80 -2.24 116.57 122.88 2k2b h LYS 85 Ca 0.23 -0.67 0.03 0.00 -1.06 0.00 0.00 60.65 59.18 2k2b h LYS 85 Cb 0.08 0.16 -0.03 0.00 -0.57 0.00 0.00 32.23 31.87 2k2b h LYS 85 CO -0.03 1.27 0.17 1.49 -2.06 0.00 0.00 179.45 180.29 2k2b h GLU 86 N 0.46 0.34 0.13 3.15 4.81 -0.25 0.43 114.58 123.65 2k2b h GLU 86 Ca -0.08 -0.02 -0.32 0.00 -0.13 0.00 0.00 59.36 58.81 2k2b h GLU 86 Cb 1.49 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.79 2k2b h GLU 86 CO 0.17 0.23 -1.64 0.74 -0.73 0.00 0.00 179.01 177.77 2k2b h PHE 87 N 0.35 0.52 0.00 0.92 -1.00 -1.11 -3.33 116.94 113.28 2k2b h PHE 87 Ca 0.16 -0.38 -0.02 0.00 2.81 0.00 0.00 57.97 60.55 2k2b h PHE 87 Cb 0.09 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 39.63 2k2b h PHE 87 CO -0.11 1.48 -0.57 0.00 -1.61 0.00 0.00 178.31 177.50 2k2b h TYR 89 N -1.00 0.35 -3.16 0.00 3.20 -0.63 -3.40 116.97 112.34 2k2b h TYR 89 Ca -0.02 -0.21 -0.76 0.00 3.14 0.00 0.00 58.73 60.88 2k2b h TYR 89 Cb 0.57 -0.03 -0.23 0.00 1.54 0.00 0.00 36.73 38.58 2k2b h TYR 89 CO -0.20 1.07 0.54 0.15 -1.64 0.00 0.00 178.16 178.08 2k2b s LYS 90 N -3.05 3.78 -0.31 1.82 -0.14 0.11 -5.01 119.74 116.96 2k2b s LYS 90 Ca -0.03 -2.43 -0.28 0.00 -1.36 0.00 0.00 55.97 51.87 2k2b s LYS 90 Cb 0.09 -4.68 -0.03 0.00 -1.68 0.00 0.00 37.83 31.54 2k2b s LYS 90 CO 0.84 -1.48 1.89 -0.08 -0.76 0.00 0.00 175.35 175.77 2k2b s THR 91 N 0.79 3.37 -0.32 2.17 -1.32 -1.26 -4.72 115.64 114.34 2k2b s THR 91 Ca 0.28 0.37 0.00 0.00 -1.21 0.00 0.00 61.69 61.14 2k2b s THR 91 Cb -0.08 -3.51 0.10 0.00 -1.51 0.00 0.00 72.50 67.51 2k2b s THR 91 CO -0.08 -0.33 0.09 -0.44 -2.21 0.00 0.00 174.62 171.66 2k2b s SER 92 N 6.62 4.18 -0.04 8.08 0.01 -1.23 -5.09 113.70 126.23 2k2b s SER 92 Ca 0.84 -1.78 -0.04 0.00 1.31 0.00 0.00 55.95 56.29 2k2b s SER 92 Cb -0.25 -1.04 -0.04 0.00 0.21 0.00 0.00 66.02 64.91 2k2b s SER 92 CO 0.34 -0.40 0.15 0.00 0.41 0.00 0.00 173.24 173.73 2k2b s ALA 93 N 1.43 3.85 0.00 1.44 0.00 -0.96 -4.13 121.76 123.39 2k2b s ALA 93 Ca 0.10 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.32 2k2b s ALA 93 Cb -0.18 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.10 2k2b s ALA 93 CO -0.21 0.70 0.00 1.58 0.00 0.00 0.00 175.76 177.83 2k2b n HIS 94 N 1.31 0.00 -2.77 0.00 -0.00 -1.26 -4.65 115.22 107.85 2k2b n HIS 94 Ca -0.14 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.16 2k2b n HIS 94 Cb 0.53 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.49 2k2b n HIS 94 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 2k2b s GLY 95 N 0.00 1.66 -0.83 1.57 0.00 -1.26 -3.98 107.32 104.48 2k2b s GLY 95 Ca 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 44.72 44.55 2k2b s GLY 95 CO 0.00 2.03 0.70 1.39 0.00 0.00 0.00 173.10 177.22 2k2b n ILE 96 N 5.58 -7.95 0.84 0.90 5.41 -1.26 -4.88 119.36 118.00 2k2b n ILE 96 Ca 0.08 -0.34 0.01 0.00 1.00 0.00 0.00 62.75 63.50 2k2b n ILE 96 Cb 0.47 -5.63 0.05 0.00 -0.71 0.00 0.00 39.64 33.82 2k2b n ILE 96 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2k2b n PRO 97 N -2.34 1.46 -3.83 0.38 -0.04 -1.26 -4.63 135.00 124.74 2k2b n PRO 97 Ca -0.10 -0.39 -0.13 0.00 -0.04 0.00 0.00 63.50 62.85 2k2b n PRO 97 Cb 0.57 -1.56 -0.14 0.00 -0.04 0.00 0.00 33.50 32.33 2k2b n PRO 97 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 2k2b s MET 98 N -1.27 0.08 0.00 0.54 0.00 -1.26 -4.82 119.30 112.58 2k2b s MET 98 Ca 0.07 0.14 -0.05 0.00 0.00 0.00 0.00 55.69 55.85 2k2b s MET 98 Cb 0.05 -0.01 -0.22 0.00 0.00 0.00 0.00 34.83 34.66 2k2b s MET 98 CO 0.02 -0.04 3.27 -0.89 0.00 0.00 0.00 175.02 177.38 2k2b n ILE 99 N 3.27 2.75 0.00 10.11 2.08 -1.26 -4.04 119.36 132.26 2k2b n ILE 99 Ca -0.15 -1.29 0.00 0.00 0.56 0.00 0.00 62.75 61.86 2k2b n ILE 99 Cb 0.58 -1.90 0.00 0.00 -0.75 0.00 0.00 39.64 37.57 2k2b n ILE 99 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2k2b n GLY 100 N 2.35 -1.40 3.51 7.39 0.00 -1.26 -5.17 105.19 110.62 2k2b n GLY 100 Ca 0.35 0.36 -0.25 0.00 0.00 0.00 0.00 46.02 46.48 2k2b n GLY 100 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k2b s GLU 101 N -0.60 1.89 -0.37 1.61 -1.05 -1.26 -5.14 118.70 113.79 2k2b s GLU 101 Ca 0.00 -2.14 -0.01 0.00 -0.15 0.00 0.00 54.97 52.67 2k2b s GLU 101 Cb 0.00 -0.68 0.09 0.00 -0.44 0.00 0.00 34.13 33.11 2k2b s GLU 101 CO 0.00 -0.43 0.12 0.00 0.95 0.00 0.00 175.26 175.90 2k2b s ALA 102 N -3.22 3.02 -0.29 -0.84 0.00 -1.26 -4.12 121.76 115.05 2k2b s ALA 102 Ca 0.25 -2.35 -0.28 0.00 0.00 0.00 0.00 51.96 49.58 2k2b s ALA 102 Cb 0.03 -2.21 -0.06 0.00 0.00 0.00 0.00 23.12 20.89 2k2b s ALA 102 CO 0.14 -1.65 2.27 -2.30 0.00 0.00 0.00 175.76 174.22 2k2b n PRO 103 N 4.53 1.70 0.08 0.00 -0.02 -1.26 -4.84 135.00 135.20 2k2b n PRO 103 Ca -0.04 0.41 0.11 0.00 -2.02 0.00 0.00 63.50 61.96 2k2b n PRO 103 Cb 0.42 -3.21 0.44 0.00 -0.02 0.00 0.00 33.50 31.13 2k2b n PRO 103 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2k2b n LEU 104 N 12.41 0.46 0.47 2.45 4.77 -1.26 -3.94 117.00 132.36 2k2b n LEU 104 Ca 0.33 0.60 -0.18 0.00 -0.03 0.00 0.00 56.01 56.73 2k2b n LEU 104 Cb 0.45 -0.52 -0.09 0.00 -2.33 0.00 0.00 43.42 40.93 2k2b n LEU 104 CO 0.68 -0.41 0.53 -0.33 -1.33 0.00 0.00 177.39 176.54 2k2b h GLU 105 N 0.00 -1.14 -5.55 3.23 4.39 -1.97 -3.40 114.58 110.14 2k2b h GLU 105 Ca 0.00 0.08 -0.63 0.00 0.34 0.00 0.00 59.36 59.14 2k2b h GLU 105 Cb 0.38 0.26 -0.14 0.00 -0.10 0.00 0.00 28.75 29.15 2k2b h GLU 105 CO 0.00 -0.76 0.91 -3.38 -1.16 0.00 0.00 179.01 174.62 2k2b s HIS 106 N -5.57 2.75 -0.68 4.33 -3.43 -1.25 -4.83 115.29 106.60 2k2b s HIS 106 Ca -0.17 -0.85 -0.07 0.00 -0.80 0.00 0.00 55.06 53.18 2k2b s HIS 106 Cb 0.02 -4.42 0.18 0.00 -1.43 0.00 0.00 32.58 26.93 2k2b s HIS 106 CO 0.52 -1.71 0.54 -1.01 -2.00 0.00 0.00 174.74 171.08 2k2b s HIS 107 N 3.99 3.52 -1.51 0.38 3.76 -1.26 -4.66 115.29 119.51 2k2b s HIS 107 Ca 0.33 -2.46 -0.18 0.00 -0.15 0.00 0.00 55.06 52.59 2k2b s HIS 107 Cb -0.08 -3.41 0.18 0.00 1.11 0.00 0.00 32.58 30.38 2k2b s HIS 107 CO -0.00 -0.89 0.51 -2.39 -0.85 0.00 0.00 174.74 171.12 2k2b n HIS 108 N 3.69 -1.41 -3.78 1.40 1.44 -1.26 -4.93 115.22 110.36 2k2b n HIS 108 Ca 0.09 0.57 -0.13 0.00 -2.01 0.00 0.00 57.72 56.24 2k2b n HIS 108 Cb 0.41 -1.91 -0.09 0.00 0.12 0.00 0.00 29.99 28.51 2k2b n HIS 108 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2k2b s HIS 109 N -3.02 -0.16 0.76 -1.40 4.02 -1.26 -5.18 115.29 109.05 2k2b s HIS 109 Ca 0.66 0.27 -0.03 0.00 1.02 0.00 0.00 55.06 56.98 2k2b s HIS 109 Cb -0.38 0.07 0.14 0.00 -1.02 0.00 0.00 32.58 31.39 2k2b s HIS 109 CO 0.81 -0.33 1.05 -3.38 1.02 0.00 0.00 174.74 173.90 2k2b s HIS 110 N -1.10 1.49 0.00 1.40 0.00 -1.26 -4.22 115.29 111.60 2k2b s HIS 110 Ca -0.12 -0.23 0.00 0.00 -3.00 0.00 0.00 55.06 51.72 2k2b s HIS 110 Cb -0.05 -3.14 0.00 0.00 -4.00 0.00 0.00 32.58 25.38 2k2b s HIS 110 CO 0.03 -1.88 0.40 -2.39 -1.00 0.00 0.00 174.74 169.90