#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 -0.08 -0.11 7.83 7.64 -1.26 -4.84 113.62 122.80 2k2b n SER 2 Ca 0.00 -1.35 0.04 0.00 1.01 0.00 0.00 58.87 58.57 2k2b n SER 2 Cb 0.00 -0.81 0.36 0.00 -1.01 0.00 0.00 64.21 62.75 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 -1.68 0.70 -0.04 1.43 4.06 -2.04 -2.75 115.95 115.63 2k2b h TRP 3 Ca -0.34 0.02 0.01 0.00 2.06 0.00 0.00 58.89 60.63 2k2b h TRP 3 Cb 0.94 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 28.85 2k2b h TRP 3 CO 0.00 0.42 -0.10 0.52 -3.56 0.00 0.00 178.44 175.72 2k2b h MET 4 N 0.74 -0.10 -0.29 0.49 2.86 -1.98 0.36 114.93 117.01 2k2b h MET 4 Ca 0.23 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.94 2k2b h MET 4 Cb 0.02 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.65 2k2b h MET 4 CO -0.06 -0.07 -0.09 0.37 1.06 0.00 0.00 176.91 178.12 2k2b h GLN 5 N -0.10 -0.03 -0.35 1.72 4.15 -1.82 -2.25 115.11 116.43 2k2b h GLN 5 Ca 0.01 0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.53 2k2b h GLN 5 Cb 0.12 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 2k2b h GLN 5 CO -0.09 -0.02 0.25 -0.97 -1.93 0.00 0.00 178.83 176.07 2k2b h ASN 6 N -0.03 0.01 0.11 -0.69 -1.24 -1.14 -2.10 115.58 110.50 2k2b h ASN 6 Ca 0.14 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 56.99 2k2b h ASN 6 Cb 0.25 -0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.31 2k2b h ASN 6 CO -0.31 0.01 -0.72 -0.07 -1.29 0.00 0.00 177.43 175.04 2k2b h LEU 7 N 0.01 0.38 0.00 0.34 3.38 0.27 -3.32 115.31 116.37 2k2b h LEU 7 Ca 0.17 -0.95 0.00 0.00 0.09 0.00 0.00 57.88 57.18 2k2b h LEU 7 Cb 0.66 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2k2b h LEU 7 CO -0.00 1.34 0.00 2.29 0.09 0.00 0.00 178.44 182.16 2k2b n LYS 8 N -4.20 0.57 0.10 1.13 2.85 -0.95 -0.57 118.16 117.09 2k2b n LYS 8 Ca -0.14 0.03 0.10 0.00 -1.05 0.00 0.00 58.31 57.25 2k2b n LYS 8 Cb 0.77 -1.50 0.44 0.00 -0.65 0.00 0.00 35.03 34.09 2k2b n LYS 8 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2k2b n ASN 9 N -1.16 0.47 -4.25 -5.58 5.03 -0.83 -4.70 115.26 104.24 2k2b n ASN 9 Ca 0.15 0.64 -0.30 0.00 0.87 0.00 0.00 54.58 55.94 2k2b n ASN 9 Cb 0.15 -0.73 -0.16 0.00 -1.02 0.00 0.00 39.78 38.02 2k2b n ASN 9 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 2k2b s TYR 10 N -3.27 2.27 0.00 3.10 5.04 0.27 -5.07 117.35 119.69 2k2b s TYR 10 Ca 0.03 -0.62 0.00 0.00 -2.44 0.00 0.00 57.07 54.05 2k2b s TYR 10 Cb 0.08 -1.49 0.00 0.00 0.35 0.00 0.00 41.96 40.91 2k2b s TYR 10 CO 0.31 -0.17 0.00 1.04 -1.34 0.00 0.00 175.55 175.39 2k2b n GLN 11 N 2.87 0.00 -3.60 4.97 1.13 -1.26 -4.93 117.38 116.55 2k2b n GLN 11 Ca -0.17 0.00 -0.26 0.00 -1.94 0.00 0.00 57.00 54.63 2k2b n GLN 11 Cb 0.52 0.00 0.05 0.00 0.11 0.00 0.00 30.24 30.92 2k2b n GLN 11 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 2k2b n HIS 12 N -2.03 -2.43 -0.94 1.08 -0.00 -1.26 -2.01 115.22 107.64 2k2b n HIS 12 Ca 0.00 0.85 0.00 0.00 -0.00 0.00 0.00 57.72 58.57 2k2b n HIS 12 Cb 0.00 -4.38 0.00 0.00 -0.00 0.00 0.00 29.99 25.61 2k2b n HIS 12 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 2k2b n LEU 13 N -4.63 0.59 -5.01 0.27 7.94 -1.26 -4.98 117.00 109.93 2k2b n LEU 13 Ca 0.00 0.00 -0.23 0.00 -1.11 0.00 0.00 56.01 54.67 2k2b n LEU 13 Cb 0.55 -1.52 0.11 0.00 0.53 0.00 0.00 43.42 43.10 2k2b n LEU 13 CO 0.65 -0.53 0.52 -0.13 -1.11 0.00 0.00 177.39 176.79 2k2b s ARG 14 N -1.06 1.71 -0.53 1.96 1.81 -0.85 -5.08 118.95 116.92 2k2b s ARG 14 Ca 0.00 -1.35 -0.08 0.00 -1.72 0.00 0.00 55.73 52.58 2k2b s ARG 14 Cb 0.00 -2.40 0.14 0.00 -0.45 0.00 0.00 34.95 32.23 2k2b s ARG 14 CO 0.00 -1.41 0.39 0.16 -0.68 0.00 0.00 175.30 173.76 2k2b s ASP 15 N -4.78 5.66 -0.24 0.23 1.47 -1.26 -4.99 116.67 112.76 2k2b s ASP 15 Ca 0.67 -2.18 -0.30 0.00 1.18 0.00 0.00 52.55 51.92 2k2b s ASP 15 Cb -0.04 -1.98 -0.07 0.00 -0.34 0.00 0.00 42.92 40.49 2k2b s ASP 15 CO 0.44 -0.60 2.20 -2.65 0.68 0.00 0.00 175.17 175.23 2k2b n PRO 16 N 4.51 1.78 0.21 2.11 -0.02 -1.26 -4.82 135.00 137.51 2k2b n PRO 16 Ca -0.02 0.50 0.18 0.00 -2.02 0.00 0.00 63.50 62.14 2k2b n PRO 16 Cb 0.41 -3.02 0.82 0.00 -0.02 0.00 0.00 33.50 31.69 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 14.05 0.00 0.19 2.55 0.02 -1.98 -0.34 113.55 128.05 2k2b h SER 17 Ca -0.38 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.58 2k2b h SER 17 Cb 1.26 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.77 2k2b h SER 17 CO 0.97 0.00 -0.27 -0.08 -1.14 0.00 0.00 176.83 176.31 2k2b h GLU 18 N 0.00 -0.51 -0.31 3.45 4.22 -1.89 -0.23 114.58 119.31 2k2b h GLU 18 Ca 0.10 0.03 0.06 0.00 0.08 0.00 0.00 59.36 59.63 2k2b h GLU 18 Cb 0.74 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 30.05 2k2b h GLU 18 CO -0.00 -0.34 -0.08 1.88 -2.18 0.00 0.00 179.01 178.29 2k2b h TYR 19 N -0.53 -0.18 -0.20 0.92 0.05 -1.45 1.60 116.97 117.18 2k2b h TYR 19 Ca 0.01 0.03 0.06 0.00 0.05 0.00 0.00 58.73 58.88 2k2b h TYR 19 Cb 0.52 0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.38 2k2b h TYR 19 CO -0.22 -0.14 0.29 0.52 -1.05 0.00 0.00 178.16 177.57 2k2b h MET 20 N -0.01 0.00 0.00 4.88 2.86 -1.27 -0.27 114.93 121.12 2k2b h MET 20 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2k2b h MET 20 Cb 0.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 2k2b h MET 20 CO -0.32 0.00 -1.57 0.43 1.06 0.00 0.00 176.91 176.51 2k2b n SER 21 N -3.52 0.98 0.05 1.22 7.64 0.36 -4.59 113.62 115.76 2k2b n SER 21 Ca 0.02 -0.20 -0.10 0.00 1.01 0.00 0.00 58.87 59.60 2k2b n SER 21 Cb 0.41 1.61 0.03 0.00 -1.01 0.00 0.00 64.21 65.25 2k2b n SER 21 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 2k2b h GLN 22 N 0.00 0.42 -5.09 1.43 3.07 0.40 -3.39 115.11 111.95 2k2b h GLN 22 Ca 0.00 -0.34 -0.65 0.00 0.09 0.00 0.00 58.65 57.75 2k2b h GLN 22 Cb 0.70 0.07 -0.23 0.00 0.08 0.00 0.00 27.48 28.10 2k2b h GLN 22 CO 0.00 0.98 -0.66 0.14 0.09 0.00 0.00 178.83 179.38 2k2b s VAL 23 N -3.64 3.97 -0.20 1.86 -7.23 -1.12 -3.63 120.40 110.41 2k2b s VAL 23 Ca -0.06 -0.30 0.29 0.00 -1.81 0.00 0.00 61.98 60.10 2k2b s VAL 23 Cb 0.10 -2.80 0.34 0.00 0.56 0.00 0.00 36.38 34.58 2k2b s VAL 23 CO 0.84 0.42 1.84 0.22 -0.31 0.00 0.00 175.10 178.11 2k2b h TYR 24 N 7.62 0.00 -2.67 2.82 3.20 -1.81 -3.47 116.97 122.66 2k2b h TYR 24 Ca -0.37 0.00 -0.53 0.00 3.14 0.00 0.00 58.73 60.97 2k2b h TYR 24 Cb 1.18 0.00 0.23 0.00 1.54 0.00 0.00 36.73 39.67 2k2b h TYR 24 CO 0.60 0.00 -1.23 0.41 -1.64 0.00 0.00 178.16 176.30 2k2b n GLY 25 N 0.29 -3.22 3.49 1.82 0.00 -1.26 -4.88 105.19 101.42 2k2b n GLY 25 Ca 0.02 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 2k2b n GLY 25 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k2b n ASP 26 N 0.92 -0.83 -0.29 1.61 9.92 -1.26 -4.78 116.55 121.83 2k2b n ASP 26 Ca 0.02 0.73 0.11 0.00 -0.53 0.00 0.00 54.79 55.13 2k2b n ASP 26 Cb 0.56 -1.20 0.27 0.00 -0.64 0.00 0.00 41.12 40.11 2k2b n ASP 26 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2k2b h PRO 27 N 0.22 0.38 0.00 -0.24 0.13 -1.97 0.58 132.00 131.10 2k2b h PRO 27 Ca -0.46 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2k2b h PRO 27 Cb 1.39 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 2k2b h PRO 27 CO 0.47 0.25 -0.06 -0.07 -0.23 0.00 0.00 178.00 178.36 2k2b h LEU 28 N 0.39 0.00 0.00 1.56 4.07 -1.98 -2.12 115.31 117.23 2k2b h LEU 28 Ca 0.52 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.48 2k2b h LEU 28 Cb 0.95 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.69 2k2b h LEU 28 CO -0.51 0.06 0.00 0.00 -1.08 0.00 0.00 178.44 176.91 2k2b n ALA 29 N -2.24 -0.28 0.25 1.53 0.00 0.20 -1.98 120.51 117.98 2k2b n ALA 29 Ca -0.02 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.55 2k2b n ALA 29 Cb 0.17 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.30 2k2b n ALA 29 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 2k2b h TYR 30 N 0.00 0.00 -0.31 0.00 -0.00 -1.68 0.95 116.97 115.93 2k2b h TYR 30 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.73 2k2b h TYR 30 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.72 2k2b h TYR 30 CO 0.13 0.00 0.18 1.25 -0.00 0.00 0.00 178.16 179.72 2k2b h LEU 31 N 0.00 0.37 -0.38 0.10 7.12 -1.33 -1.86 115.31 119.33 2k2b h LEU 31 Ca 0.00 -0.06 -0.19 0.00 0.13 0.00 0.00 57.88 57.77 2k2b h LEU 31 Cb 0.11 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.14 2k2b h LEU 31 CO 0.00 0.32 -0.76 1.56 -0.13 0.00 0.00 178.44 179.42 2k2b h GLN 32 N 0.39 0.36 -0.39 1.25 1.08 -0.22 -0.97 115.11 116.61 2k2b h GLN 32 Ca 0.11 -0.31 0.08 0.00 -1.45 0.00 0.00 58.65 57.08 2k2b h GLN 32 Cb 0.02 0.07 -0.07 0.00 -0.05 0.00 0.00 27.48 27.45 2k2b h GLN 32 CO -0.02 0.96 -0.06 1.49 -0.95 0.00 0.00 178.83 180.26 2k2b h GLU 33 N 0.23 0.04 0.00 1.46 4.81 -1.08 -0.21 114.58 119.83 2k2b h GLU 33 Ca -0.04 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2k2b h GLU 33 Cb 1.34 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.72 2k2b h GLU 33 CO 0.13 0.03 -0.03 1.79 -0.73 0.00 0.00 179.01 180.20 2k2b h THR 34 N 0.04 0.62 -0.94 0.32 1.35 -1.37 -1.41 112.91 111.52 2k2b h THR 34 Ca 0.19 -1.47 0.01 0.00 -0.55 0.00 0.00 66.41 64.59 2k2b h THR 34 Cb 0.28 1.18 -0.05 0.00 -1.73 0.00 0.00 68.15 67.83 2k2b h THR 34 CO -0.37 0.21 0.63 0.74 -0.25 0.00 0.00 175.52 176.48 2k2b h THR 35 N -1.00 1.24 -0.00 6.82 2.02 -1.23 -2.62 112.91 118.14 2k2b h THR 35 Ca -0.00 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.74 2k2b h THR 35 Cb 0.36 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 2k2b h THR 35 CO -0.00 0.23 -0.91 0.29 0.37 0.00 0.00 175.52 175.50 2k2b n LYS 36 N -4.43 0.08 -3.29 6.66 4.76 -0.10 -5.03 118.16 116.81 2k2b n LYS 36 Ca 0.11 -0.06 -0.08 0.00 -2.87 0.00 0.00 58.31 55.41 2k2b n LYS 36 Cb 0.02 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.71 2k2b n LYS 36 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2k2b n PHE 37 N -1.41 -2.69 -2.26 2.13 7.35 -0.58 -4.02 117.46 115.98 2k2b n PHE 37 Ca 0.05 1.04 -0.16 0.00 -0.76 0.00 0.00 57.45 57.61 2k2b n PHE 37 Cb 0.34 -3.71 0.02 0.00 0.35 0.00 0.00 39.48 36.48 2k2b n PHE 37 CO 0.00 0.00 0.00 1.33 -0.76 0.00 0.00 176.76 177.33 2k2b n VAL 38 N -2.07 -1.82 0.16 -2.13 0.24 -0.90 -4.90 118.33 106.91 2k2b n VAL 38 Ca -0.10 0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 2k2b n VAL 38 Cb 0.56 -1.82 0.00 0.00 -1.47 0.00 0.00 33.84 31.11 2k2b n VAL 38 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2k2b n THR 39 N 0.14 0.00 -1.86 3.34 -1.04 -1.26 -4.79 114.28 108.81 2k2b n THR 39 Ca -0.04 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.58 2k2b n THR 39 Cb 0.35 -0.32 0.02 0.00 -1.82 0.00 0.00 70.33 68.56 2k2b n THR 39 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2k2b s GLU 40 N -1.89 3.61 0.20 -2.82 0.41 -1.26 -4.91 118.70 112.04 2k2b s GLU 40 Ca 0.00 2.30 -0.11 0.00 -0.41 0.00 0.00 54.97 56.75 2k2b s GLU 40 Cb 0.00 -2.57 0.18 0.00 -1.78 0.00 0.00 34.13 29.96 2k2b s GLU 40 CO 0.00 -0.83 1.84 0.07 -0.49 0.00 0.00 175.26 175.85 2k2b h ARG 41 N 2.17 0.80 0.00 1.61 -0.00 -2.00 -0.25 114.38 116.72 2k2b h ARG 41 Ca -0.51 -0.05 0.00 0.00 -0.00 0.00 0.00 59.98 59.43 2k2b h ARG 41 Cb 1.27 -0.18 0.00 0.00 -0.00 0.00 0.00 29.97 31.06 2k2b h ARG 41 CO 0.60 0.53 0.00 0.39 -0.00 0.00 0.00 179.97 181.50 2k2b n GLU 42 N -4.68 0.80 -0.10 0.08 1.02 -1.26 0.27 120.64 116.77 2k2b n GLU 42 Ca 0.07 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.99 2k2b n GLU 42 Cb 0.08 -1.36 -0.12 0.00 -0.02 0.00 0.00 31.44 30.03 2k2b n GLU 42 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 2k2b h TYR 43 N 0.00 0.03 0.00 -0.32 3.20 -1.40 -3.22 116.97 115.25 2k2b h TYR 43 Ca 0.00 -0.02 -0.30 0.00 3.14 0.00 0.00 58.73 61.55 2k2b h TYR 43 Cb 0.00 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.22 2k2b h TYR 43 CO 0.00 1.49 -1.86 2.48 -1.64 0.00 0.00 178.16 178.63 2k2b n TYR 44 N -4.39 0.73 -0.02 -3.82 0.18 -1.11 -0.26 117.16 108.47 2k2b n TYR 44 Ca -0.32 0.26 0.05 0.00 1.88 0.00 0.00 57.90 59.77 2k2b n TYR 44 Cb 0.70 -1.12 0.23 0.00 -0.38 0.00 0.00 39.34 38.77 2k2b n TYR 44 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 2k2b n GLU 45 N -2.95 3.13 0.04 -3.48 1.02 0.14 -3.64 120.64 114.91 2k2b n GLU 45 Ca -0.20 -1.82 0.00 0.00 -0.02 0.00 0.00 57.16 55.11 2k2b n GLU 45 Cb 1.06 -1.87 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 2k2b n GLU 45 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2k2b n ASP 46 N 0.43 -0.39 0.07 1.62 -0.08 -1.25 -4.88 116.55 112.07 2k2b n ASP 46 Ca 0.16 0.13 -0.13 0.00 -1.51 0.00 0.00 54.79 53.44 2k2b n ASP 46 Cb 0.75 0.56 -0.08 0.00 2.34 0.00 0.00 41.12 44.69 2k2b n ASP 46 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 2k2b h PHE 47 N 0.00 -0.16 0.00 -0.67 -1.00 -1.51 -3.50 116.94 110.11 2k2b h PHE 47 Ca 0.00 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2k2b h PHE 47 Cb 0.00 0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.61 2k2b h PHE 47 CO 0.00 0.13 0.00 0.41 -1.61 0.00 0.00 178.31 177.24 2k2b n GLY 48 N -0.41 1.20 0.00 -1.45 0.00 0.64 -4.86 105.19 100.31 2k2b n GLY 48 Ca -0.09 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 0.00 1.61 4.01 -1.26 -4.15 117.16 117.37 2k2b n TYR 49 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2k2b n TYR 49 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 2k2b n TYR 49 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2k2b n GLY 50 N 5.00 0.48 0.08 2.72 0.00 -1.26 -4.82 105.19 107.37 2k2b n GLY 50 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 1.19 0.27 1.61 0.00 -1.26 -4.32 120.64 118.13 2k2b n GLU 51 Ca 0.00 0.04 0.18 0.00 0.00 0.00 0.00 57.16 57.38 2k2b n GLU 51 Cb 0.00 -1.37 0.93 0.00 0.00 0.00 0.00 31.44 31.00 2k2b n GLU 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2k2b h PHE 53 N 0.00 0.00 -4.13 0.00 3.57 -1.82 -3.38 116.94 111.18 2k2b h PHE 53 Ca 0.00 0.00 -0.49 0.00 3.53 0.00 0.00 57.97 61.01 2k2b h PHE 53 Cb 0.08 0.00 0.06 0.00 2.79 0.00 0.00 35.95 38.87 2k2b h PHE 53 CO 0.00 0.22 0.39 1.21 -2.23 0.00 0.00 178.31 177.90 2k2b s ASN 54 N -5.96 5.89 0.32 0.41 2.47 -0.31 -4.24 114.94 113.53 2k2b s ASN 54 Ca 0.02 1.95 0.08 0.00 0.42 0.00 0.00 52.86 55.34 2k2b s ASN 54 Cb 0.08 -2.55 0.80 0.00 -1.45 0.00 0.00 41.25 38.12 2k2b s ASN 54 CO 0.75 -1.09 1.78 -1.28 -3.72 0.00 0.00 177.10 173.53 2k2b h SER 55 N 0.95 0.73 -3.36 -4.21 0.87 -1.85 -3.35 113.55 103.33 2k2b h SER 55 Ca -0.48 0.09 -0.57 0.00 -1.23 0.00 0.00 61.79 59.60 2k2b h SER 55 Cb 1.23 -0.04 -0.38 0.00 -0.44 0.00 0.00 62.40 62.78 2k2b h SER 55 CO 0.57 0.25 -0.80 0.42 -0.53 0.00 0.00 176.83 176.75 2k2b s THR 56 N -5.79 1.22 0.00 2.23 -4.23 -1.26 -4.69 115.64 103.13 2k2b s THR 56 Ca -0.11 -0.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.68 2k2b s THR 56 Cb 0.25 -1.39 0.00 0.00 1.34 0.00 0.00 72.50 72.70 2k2b s THR 56 CO 0.80 0.12 0.00 -1.84 -0.54 0.00 0.00 174.62 173.16 2k2b n GLU 57 N 4.83 0.10 -3.72 3.99 0.28 -1.26 -4.99 120.64 119.87 2k2b n GLU 57 Ca -0.12 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.58 2k2b n GLU 57 Cb 0.47 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 33.20 2k2b n GLU 57 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2k2b s SER 58 N -1.58 3.86 0.26 -1.84 0.01 -1.26 -5.03 113.70 108.12 2k2b s SER 58 Ca 0.00 -2.08 -0.10 0.00 1.31 0.00 0.00 55.95 55.08 2k2b s SER 58 Cb 0.00 -0.94 0.39 0.00 0.21 0.00 0.00 66.02 65.68 2k2b s SER 58 CO 0.00 -0.35 1.58 -0.33 0.41 0.00 0.00 173.24 174.55 2k2b h GLU 59 N 7.47 -0.00 -6.22 12.44 3.07 -1.96 -1.88 114.58 127.50 2k2b h GLU 59 Ca -0.07 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.23 2k2b h GLU 59 Cb 0.98 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.85 2k2b h GLU 59 CO 0.47 -0.00 0.69 0.08 -1.40 0.00 0.00 179.01 178.84 2k2b s VAL 60 N -6.24 4.58 -0.97 3.13 1.01 -1.26 -3.42 120.40 117.22 2k2b s VAL 60 Ca -0.15 1.88 0.00 0.00 0.00 0.00 0.00 61.98 63.71 2k2b s VAL 60 Cb 0.25 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.42 2k2b s VAL 60 CO 0.77 -0.05 0.00 0.00 0.00 0.00 0.00 175.10 175.81 2k2b n GLN 61 N 5.51 -0.68 -2.54 2.72 6.02 -1.25 -5.01 117.38 122.14 2k2b n GLN 61 Ca 0.11 0.76 -0.43 0.00 -0.01 0.00 0.00 57.00 57.43 2k2b n GLN 61 Cb 0.47 -4.69 -0.02 0.00 1.02 0.00 0.00 30.24 27.02 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 6.66 0.00 0.15 0.00 0.28 -1.24 -0.79 120.64 125.69 2k2b n GLU 63 Ca 0.13 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.25 2k2b n GLU 63 Cb 0.46 0.00 0.54 0.00 1.43 0.00 0.00 31.44 33.87 2k2b n GLU 63 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 2k2b n LEU 64 N 0.00 0.63 0.14 -1.84 -0.00 -1.26 -0.75 117.00 113.92 2k2b n LEU 64 Ca 0.00 0.72 0.07 0.00 -0.00 0.00 0.00 56.01 56.80 2k2b n LEU 64 Cb 0.00 -0.71 0.05 0.00 -0.00 0.00 0.00 43.42 42.77 2k2b n LEU 64 CO 0.00 -0.76 0.39 0.40 -0.00 0.00 0.00 177.39 177.42 2k2b h ILE 65 N 0.00 0.35 0.00 1.47 1.08 -1.27 -3.38 117.51 115.76 2k2b h ILE 65 Ca 0.00 -1.53 -0.14 0.00 -0.39 0.00 0.00 64.86 62.80 2k2b h ILE 65 Cb 0.19 2.04 -0.03 0.00 -3.07 0.00 0.00 36.82 35.95 2k2b h ILE 65 CO 0.00 0.20 -1.52 1.07 -0.69 0.00 0.00 178.15 177.21 2k2b n THR 66 N -3.03 0.52 -4.45 -0.27 5.66 -0.65 -4.60 114.28 107.47 2k2b n THR 66 Ca 0.01 -0.32 -0.24 0.00 -3.05 0.00 0.00 64.05 60.44 2k2b n THR 66 Cb 0.64 -0.78 -0.10 0.00 -1.55 0.00 0.00 70.33 68.54 2k2b n THR 66 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2k2b s GLY 67 N -3.93 1.80 -0.58 1.09 0.00 0.07 -4.74 107.32 101.02 2k2b s GLY 67 Ca -0.04 -1.81 -0.18 0.00 0.00 0.00 0.00 44.72 42.70 2k2b s GLY 67 CO 0.31 -1.88 0.65 -0.54 0.00 0.00 0.00 173.10 171.64 2k2b s GLU 68 N -3.34 3.04 -1.22 2.90 2.02 -1.26 -4.25 118.70 116.59 2k2b s GLU 68 Ca 0.27 -1.44 -0.06 0.00 0.02 0.00 0.00 54.97 53.76 2k2b s GLU 68 Cb -0.05 -4.28 0.20 0.00 0.10 0.00 0.00 34.13 30.10 2k2b s GLU 68 CO 0.13 -1.49 1.94 1.19 0.02 0.00 0.00 175.26 177.06 2k2b n PHE 69 N 6.02 2.65 -2.89 1.61 3.01 -1.26 -4.65 117.46 121.95 2k2b n PHE 69 Ca -0.10 -2.72 -0.35 0.00 1.01 0.00 0.00 57.45 55.29 2k2b n PHE 69 Cb 0.42 -1.66 -0.06 0.00 -0.01 0.00 0.00 39.48 38.16 2k2b n PHE 69 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2k2b s ASP 70 N -0.17 7.13 0.00 4.37 1.11 -1.26 -4.94 116.67 122.92 2k2b s ASP 70 Ca 0.42 1.66 0.00 0.00 0.18 0.00 0.00 52.55 54.81 2k2b s ASP 70 Cb 0.13 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.60 2k2b s ASP 70 CO -0.02 -0.13 0.84 -0.81 1.18 0.00 0.00 175.17 176.23 2k2b n PRO 71 N 0.22 0.00 0.33 8.23 -0.04 -1.26 -2.05 135.00 140.42 2k2b n PRO 71 Ca 0.02 0.36 0.22 0.00 -0.04 0.00 0.00 63.50 64.05 2k2b n PRO 71 Cb 0.51 -1.56 1.15 0.00 -0.04 0.00 0.00 33.50 33.57 2k2b n PRO 71 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2k2b h LYS 72 N 0.00 0.00 -0.38 0.54 1.57 -1.97 -1.45 116.57 114.87 2k2b h LYS 72 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k2b h LYS 72 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2k2b h LYS 72 CO 0.00 0.00 0.00 1.47 -0.57 0.00 0.00 179.45 180.35 2k2b n LEU 73 N -3.18 0.92 -4.56 2.94 -0.00 -0.87 -4.91 117.00 107.33 2k2b n LEU 73 Ca -0.03 -0.46 -0.47 0.00 -0.00 0.00 0.00 56.01 55.05 2k2b n LEU 73 Cb 0.09 -0.22 -0.05 0.00 -0.00 0.00 0.00 43.42 43.24 2k2b n LEU 73 CO 0.21 0.19 1.75 -0.11 -0.00 0.00 0.00 177.39 179.43 2k2b n LEU 74 N -0.11 2.87 0.00 1.47 0.00 -0.55 -4.95 117.00 115.74 2k2b n LEU 74 Ca 0.04 0.48 0.00 0.00 0.00 0.00 0.00 56.01 56.52 2k2b n LEU 74 Cb 0.18 -1.39 0.00 0.00 0.00 0.00 0.00 43.42 42.21 2k2b n LEU 74 CO 0.03 -0.55 0.00 -0.81 0.00 0.00 0.00 177.39 176.06 2k2b n PRO 75 N 8.03 2.65 0.00 1.96 -0.04 -1.26 -5.11 135.00 141.22 2k2b n PRO 75 Ca 0.33 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 2k2b n PRO 75 Cb 0.32 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.78 2k2b n PRO 75 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2k2b n TYR 76 N 0.00 -0.48 -0.88 0.54 9.36 -1.26 -4.85 117.16 119.59 2k2b n TYR 76 Ca 0.00 0.00 -0.36 0.00 3.32 0.00 0.00 57.90 60.86 2k2b n TYR 76 Cb 0.00 0.00 0.08 0.00 -0.63 0.00 0.00 39.34 38.79 2k2b n TYR 76 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 2k2b n ASP 77 N -0.02 -3.20 -0.32 2.98 9.92 -1.26 -3.77 116.55 120.88 2k2b n ASP 77 Ca 0.00 0.02 0.20 0.00 -0.53 0.00 0.00 54.79 54.48 2k2b n ASP 77 Cb 0.00 -0.74 0.41 0.00 -0.64 0.00 0.00 41.12 40.15 2k2b n ASP 77 CO 0.00 0.00 0.00 0.07 0.13 0.00 0.00 177.20 177.40 2k2b h LYS 78 N -1.37 0.20 0.04 -1.24 -0.00 -1.98 0.26 116.57 112.48 2k2b h LYS 78 Ca -0.45 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.65 60.19 2k2b h LYS 78 Cb 1.36 -0.05 0.00 0.00 -0.00 0.00 0.00 32.23 33.55 2k2b h LYS 78 CO 0.28 0.13 -0.02 0.00 -0.00 0.00 0.00 179.45 179.84 2k2b h ARG 79 N 0.21 -0.05 -0.11 0.07 3.08 -1.99 0.15 114.38 115.74 2k2b h ARG 79 Ca 0.67 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.75 2k2b h ARG 79 Cb 1.51 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.55 2k2b h ARG 79 CO -0.68 0.44 -0.05 1.25 -1.07 0.00 0.00 179.97 179.86 2k2b h LEU 80 N -0.56 -0.17 -0.36 3.04 7.12 -1.59 -1.81 115.31 120.98 2k2b h LEU 80 Ca -0.01 0.04 0.02 0.00 0.13 0.00 0.00 57.88 58.07 2k2b h LEU 80 Cb 0.51 0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 40.71 2k2b h LEU 80 CO 0.01 -0.07 0.20 0.00 -0.13 0.00 0.00 178.44 178.45 2k2b h ALA 81 N 1.07 0.45 -0.26 1.25 0.00 -1.00 -2.50 119.26 118.25 2k2b h ALA 81 Ca 0.06 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.02 2k2b h ALA 81 Cb 0.13 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2k2b h ALA 81 CO -0.14 -0.16 -0.01 2.35 0.00 0.00 0.00 179.25 181.29 2k2b h TRP 82 N 0.41 -0.03 0.69 0.00 -0.00 -0.46 -0.34 115.95 116.20 2k2b h TRP 82 Ca 0.14 0.02 -0.03 0.00 -0.00 0.00 0.00 58.89 59.02 2k2b h TRP 82 Cb 0.02 0.05 0.00 0.00 -0.00 0.00 0.00 29.16 29.24 2k2b h TRP 82 CO -0.08 -0.05 -0.36 0.45 -0.00 0.00 0.00 178.44 178.40 2k2b h HIS 83 N 0.07 -0.94 -0.12 2.65 3.86 -1.18 -1.20 115.15 118.29 2k2b h HIS 83 Ca 0.13 -0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.33 2k2b h HIS 83 Cb 0.17 0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.94 2k2b h HIS 83 CO -0.21 -0.57 0.01 0.35 0.86 0.00 0.00 177.93 178.37 2k2b h PHE 84 N -0.96 0.02 0.20 2.45 3.57 -1.38 -2.21 116.94 118.63 2k2b h PHE 84 Ca -0.09 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.43 2k2b h PHE 84 Cb 0.75 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.47 2k2b h PHE 84 CO -0.05 0.00 -0.28 -0.22 -2.23 0.00 0.00 178.31 175.53 2k2b h LYS 85 N 0.06 -0.53 -0.43 1.11 1.63 -1.06 -2.64 116.57 114.72 2k2b h LYS 85 Ca 0.05 0.04 0.02 0.00 -0.85 0.00 0.00 60.65 59.91 2k2b h LYS 85 Cb 0.05 0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 2k2b h LYS 85 CO -0.08 -0.35 0.28 1.49 -3.45 0.00 0.00 179.45 177.35 2k2b h GLU 86 N -0.54 0.50 -0.77 1.90 4.57 -1.12 0.66 114.58 119.77 2k2b h GLU 86 Ca 0.01 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 2k2b h GLU 86 Cb 0.54 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.98 2k2b h GLU 86 CO -0.11 0.33 0.44 0.74 -1.18 0.00 0.00 179.01 179.22 2k2b h PHE 87 N 0.51 1.04 0.00 0.92 -1.00 -1.06 -2.25 116.94 115.10 2k2b h PHE 87 Ca 0.17 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.93 2k2b h PHE 87 Cb 0.04 -0.34 0.00 0.00 3.61 0.00 0.00 35.95 39.26 2k2b h PHE 87 CO -0.00 0.71 -0.64 0.00 -1.61 0.00 0.00 178.31 176.77 2k2b n TYR 89 N -1.84 0.41 -0.27 0.00 9.36 0.22 -4.92 117.16 120.11 2k2b n TYR 89 Ca 0.04 -1.53 -0.04 0.00 3.32 0.00 0.00 57.90 59.70 2k2b n TYR 89 Cb 0.40 -1.32 -0.04 0.00 -0.63 0.00 0.00 39.34 37.75 2k2b n TYR 89 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 2k2b n LYS 90 N 1.87 0.00 -0.00 2.98 4.81 -1.26 -4.70 118.16 121.85 2k2b n LYS 90 Ca 0.36 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.86 2k2b n LYS 90 Cb 0.75 -0.19 -0.09 0.00 0.02 0.00 0.00 35.03 35.52 2k2b n LYS 90 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2k2b n THR 91 N 1.02 0.00 -3.98 3.15 -1.04 -1.26 -5.02 114.28 107.14 2k2b n THR 91 Ca 0.11 -0.20 -0.32 0.00 -2.04 0.00 0.00 64.05 61.60 2k2b n THR 91 Cb 0.04 0.83 -0.05 0.00 -1.82 0.00 0.00 70.33 69.33 2k2b n THR 91 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2k2b s SER 92 N -2.59 6.04 0.00 8.00 0.01 -1.26 -4.98 113.70 118.91 2k2b s SER 92 Ca 0.03 0.21 0.04 0.00 1.31 0.00 0.00 55.95 57.54 2k2b s SER 92 Cb 0.10 -1.80 0.06 0.00 0.21 0.00 0.00 66.02 64.59 2k2b s SER 92 CO 0.58 0.22 0.85 0.00 0.41 0.00 0.00 173.24 175.30 2k2b n ALA 93 N 0.74 2.29 0.00 1.44 0.00 -1.26 -4.64 120.51 119.08 2k2b n ALA 93 Ca -0.09 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.55 2k2b n ALA 93 Cb 0.52 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.64 2k2b n ALA 93 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2k2b n HIS 94 N 0.07 -0.10 0.00 0.00 -0.00 -1.26 -4.59 115.22 109.34 2k2b n HIS 94 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.69 2k2b n HIS 94 Cb 0.69 0.02 0.00 0.00 -0.00 0.00 0.00 29.99 30.70 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 -1.21 -0.36 2.87 1.57 0.00 -1.26 -4.74 105.19 102.05 2k2b n GLY 95 Ca 0.00 0.37 -0.08 0.00 0.00 0.00 0.00 46.02 46.30 2k2b n GLY 95 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2k2b n ILE 96 N 0.00-10.86 -1.43 -0.61 5.41 -1.26 -4.67 119.36 105.94 2k2b n ILE 96 Ca 0.00 0.98 -0.35 0.00 1.00 0.00 0.00 62.75 64.38 2k2b n ILE 96 Cb 0.00 -7.07 0.10 0.00 -0.71 0.00 0.00 39.64 31.96 2k2b n ILE 96 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2k2b s PRO 97 N -2.47 2.11 0.59 0.38 0.04 -1.23 -4.87 135.00 129.56 2k2b s PRO 97 Ca 0.22 1.86 0.27 0.00 0.04 0.00 0.00 61.00 63.39 2k2b s PRO 97 Cb -0.06 -1.82 1.46 0.00 0.04 0.00 0.00 34.50 34.12 2k2b s PRO 97 CO 0.77 -1.88 1.80 0.00 0.04 0.00 0.00 177.00 177.73 2k2b h MET 98 N -0.22 0.00 -0.19 4.56 -0.00 -1.90 -0.44 114.93 116.74 2k2b h MET 98 Ca -0.48 0.00 0.06 0.00 -0.00 0.00 0.00 59.70 59.27 2k2b h MET 98 Cb 1.31 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.90 2k2b h MET 98 CO 0.50 0.00 0.17 0.97 -0.00 0.00 0.00 176.91 178.55 2k2b h ILE 99 N 0.00 0.63 0.00 -0.10 2.10 -1.92 -3.46 117.51 114.76 2k2b h ILE 99 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 2k2b h ILE 99 Cb 0.61 0.87 0.00 0.00 -1.09 0.00 0.00 36.82 37.21 2k2b h ILE 99 CO 0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 177.68 2k2b n GLY 100 N -1.47 1.26 3.86 8.18 0.00 -0.17 -5.10 105.19 111.76 2k2b n GLY 100 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2k2b n GLY 100 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k2b s GLU 101 N -0.04 3.84 -0.54 1.61 2.12 -1.26 -4.94 118.70 119.48 2k2b s GLU 101 Ca 0.00 0.29 -0.03 0.00 0.36 0.00 0.00 54.97 55.60 2k2b s GLU 101 Cb 0.00 -2.88 0.14 0.00 0.26 0.00 0.00 34.13 31.65 2k2b s GLU 101 CO 0.00 0.47 0.35 0.00 -0.54 0.00 0.00 175.26 175.53 2k2b s ALA 102 N -1.54 3.41 -0.91 6.30 0.00 -1.26 -3.46 121.76 124.30 2k2b s ALA 102 Ca 0.39 -3.00 -0.06 0.00 0.00 0.00 0.00 51.96 49.29 2k2b s ALA 102 Cb -0.14 -2.55 -0.08 0.00 0.00 0.00 0.00 23.12 20.36 2k2b s ALA 102 CO 0.20 -1.99 2.33 -2.30 0.00 0.00 0.00 175.76 174.00 2k2b n PRO 103 N 3.88 2.27 0.00 0.00 -0.02 -1.26 -4.74 135.00 135.12 2k2b n PRO 103 Ca 0.04 -1.47 0.00 0.00 -2.02 0.00 0.00 63.50 60.05 2k2b n PRO 103 Cb 0.39 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 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 3.86 0.00 -2.12 2.45 7.99 -1.26 -4.74 117.00 123.17 2k2b n LEU 104 Ca 0.48 0.00 -0.03 0.00 -0.01 0.00 0.00 56.01 56.46 2k2b n LEU 104 Cb 0.22 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.51 2k2b n LEU 104 CO 0.65 0.00 -0.36 -0.62 -1.51 0.00 0.00 177.39 175.55 2k2b n GLU 105 N 0.00 -2.47 -3.96 3.23 -0.58 -1.26 -4.92 120.64 110.68 2k2b n GLU 105 Ca 0.00 2.09 -0.34 0.00 -0.42 0.00 0.00 57.16 58.49 2k2b n GLU 105 Cb 0.00 -3.32 -0.14 0.00 -0.57 0.00 0.00 31.44 27.41 2k2b n GLU 105 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2k2b s HIS 106 N -0.48 3.11 -0.50 -0.32 3.76 -1.26 -4.90 115.29 114.70 2k2b s HIS 106 Ca -0.13 -1.66 -0.29 0.00 -0.15 0.00 0.00 55.06 52.83 2k2b s HIS 106 Cb 0.01 -2.06 0.02 0.00 1.11 0.00 0.00 32.58 31.66 2k2b s HIS 106 CO 0.45 -0.75 1.23 -3.38 -0.85 0.00 0.00 174.74 171.43 2k2b s HIS 107 N 1.30 2.62 -0.77 1.40 -3.43 -1.26 -4.93 115.29 110.22 2k2b s HIS 107 Ca -0.01 0.60 -0.32 0.00 -0.80 0.00 0.00 55.06 54.52 2k2b s HIS 107 Cb -0.17 -4.44 -0.18 0.00 -1.43 0.00 0.00 32.58 26.36 2k2b s HIS 107 CO -0.04 -1.56 2.52 1.58 -2.00 0.00 0.00 174.74 175.24 2k2b n HIS 108 N 8.38 0.91 -0.55 0.38 -0.00 -1.26 -4.78 115.22 118.30 2k2b n HIS 108 Ca 0.12 0.36 0.07 0.00 0.46 0.00 0.00 57.72 58.73 2k2b n HIS 108 Cb 0.49 -2.44 0.20 0.00 -0.12 0.00 0.00 29.99 28.12 2k2b n HIS 108 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2k2b n HIS 109 N 11.17 0.68 -3.20 1.57 1.44 -1.26 -4.84 115.22 120.78 2k2b n HIS 109 Ca 0.56 -0.67 -0.44 0.00 -2.01 0.00 0.00 57.72 55.16 2k2b n HIS 109 Cb 0.15 -0.16 -0.07 0.00 0.12 0.00 0.00 29.99 30.03 2k2b n HIS 109 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2k2b s HIS 110 N -1.83 3.09 0.00 -1.40 3.76 -1.26 -5.34 115.29 112.30 2k2b s HIS 110 Ca 0.32 -0.55 0.00 0.00 -0.15 0.00 0.00 55.06 54.68 2k2b s HIS 110 Cb 0.22 -3.43 0.00 0.00 1.11 0.00 0.00 32.58 30.48 2k2b s HIS 110 CO 0.12 -0.97 0.04 1.58 -0.85 0.00 0.00 174.74 174.67