#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 -0.14 3.17 3.41 -1.26 -3.36 113.62 115.44 2k2b n SER 2 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 2k2b n SER 2 Cb 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.00 2k2b n SER 2 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 2k2b h TRP 3 N 0.00 0.02 -0.92 7.33 6.55 -2.01 0.24 115.95 127.15 2k2b h TRP 3 Ca 0.00 0.03 0.15 0.00 0.95 0.00 0.00 58.89 60.02 2k2b h TRP 3 Cb 0.00 0.06 -0.08 0.00 -0.86 0.00 0.00 29.16 28.29 2k2b h TRP 3 CO 0.00 -0.07 0.59 0.52 -1.05 0.00 0.00 178.44 178.42 2k2b h MET 4 N 0.14 0.68 -0.02 0.49 2.86 -1.87 -0.58 114.93 116.63 2k2b h MET 4 Ca 0.23 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.75 2k2b h MET 4 Cb 0.33 -0.15 0.01 0.00 0.06 0.00 0.00 31.60 31.84 2k2b h MET 4 CO -0.36 0.45 -0.29 1.96 1.06 0.00 0.00 176.91 179.74 2k2b h GLN 5 N 0.70 0.24 -0.05 1.72 7.50 -1.36 -1.69 115.11 122.17 2k2b h GLN 5 Ca 0.47 -0.22 -0.03 0.00 0.50 0.00 0.00 58.65 59.37 2k2b h GLN 5 Cb 0.76 0.06 -0.01 0.00 0.05 0.00 0.00 27.48 28.34 2k2b h GLN 5 CO -0.23 0.91 -0.12 -0.91 -1.50 0.00 0.00 178.83 176.99 2k2b h ASN 6 N -0.36 0.06 0.56 1.46 2.35 -0.42 -0.74 115.58 118.49 2k2b h ASN 6 Ca -0.03 -0.01 -0.28 0.00 -0.55 0.00 0.00 56.30 55.43 2k2b h ASN 6 Cb 0.99 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 39.32 2k2b h ASN 6 CO 0.06 0.19 -1.53 -0.07 -1.65 0.00 0.00 177.43 174.43 2k2b h LEU 7 N 0.07 0.15 0.00 1.61 4.07 -1.20 -3.35 115.31 116.65 2k2b h LEU 7 Ca 0.01 -0.24 0.00 0.00 0.08 0.00 0.00 57.88 57.74 2k2b h LEU 7 Cb 0.25 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.94 2k2b h LEU 7 CO 0.02 1.20 -0.23 1.17 -1.08 0.00 0.00 178.44 179.52 2k2b n LYS 8 N -3.27 0.19 -2.24 1.13 4.81 -0.64 -4.84 118.16 113.31 2k2b n LYS 8 Ca -0.14 0.11 -0.41 0.00 -0.87 0.00 0.00 58.31 56.99 2k2b n LYS 8 Cb 1.02 -1.67 -0.03 0.00 0.02 0.00 0.00 35.03 34.37 2k2b n LYS 8 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 2k2b s ASN 9 N -3.95 6.92 -0.31 3.14 3.84 -0.32 -4.01 114.94 120.26 2k2b s ASN 9 Ca 0.10 2.38 -0.11 0.00 0.21 0.00 0.00 52.86 55.44 2k2b s ASN 9 Cb 0.15 -2.61 0.01 0.00 -0.55 0.00 0.00 41.25 38.25 2k2b s ASN 9 CO 0.63 -0.50 0.43 0.00 -2.79 0.00 0.00 177.10 174.86 2k2b n TYR 10 N 2.58 -2.48 0.62 0.43 9.36 -1.26 -4.94 117.16 121.46 2k2b n TYR 10 Ca 0.06 1.00 0.06 0.00 3.32 0.00 0.00 57.90 62.34 2k2b n TYR 10 Cb 0.43 -3.35 0.18 0.00 -0.63 0.00 0.00 39.34 35.98 2k2b n TYR 10 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 2k2b n GLN 11 N -0.37 2.08 -2.40 2.98 6.02 -1.26 -4.78 117.38 119.65 2k2b n GLN 11 Ca 0.08 -1.50 -0.41 0.00 -0.01 0.00 0.00 57.00 55.16 2k2b n GLN 11 Cb 0.33 -1.38 -0.03 0.00 1.02 0.00 0.00 30.24 30.18 2k2b n GLN 11 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2k2b s HIS 12 N -1.51 2.27 -0.21 1.08 3.76 -1.26 -4.18 115.29 115.24 2k2b s HIS 12 Ca 0.28 0.42 -0.03 0.00 -0.15 0.00 0.00 55.06 55.58 2k2b s HIS 12 Cb 0.15 -4.41 0.00 0.00 1.11 0.00 0.00 32.58 29.43 2k2b s HIS 12 CO 0.17 -1.98 0.10 1.28 -0.85 0.00 0.00 174.74 173.47 2k2b n LEU 13 N 9.65 -5.62 0.00 0.89 7.99 -1.26 -5.11 117.00 123.54 2k2b n LEU 13 Ca 0.11 0.71 0.00 0.00 -0.01 0.00 0.00 56.01 56.82 2k2b n LEU 13 Cb 0.49 -2.43 0.00 0.00 -0.11 0.00 0.00 43.42 41.38 2k2b n LEU 13 CO 0.71 -1.79 0.00 0.54 -1.51 0.00 0.00 177.39 175.34 2k2b n ARG 14 N 0.19 0.00 -4.30 3.23 5.12 -1.26 -5.15 116.66 114.50 2k2b n ARG 14 Ca 0.02 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.70 2k2b n ARG 14 Cb 0.08 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.30 2k2b n ARG 14 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2k2b s ASP 15 N -0.40 4.27 0.27 0.55 1.11 -1.26 -5.03 116.67 116.17 2k2b s ASP 15 Ca 0.00 -0.96 0.23 0.00 0.18 0.00 0.00 52.55 52.00 2k2b s ASP 15 Cb 0.00 -0.56 1.00 0.00 1.07 0.00 0.00 42.92 44.43 2k2b s ASP 15 CO 0.00 -0.26 1.71 -0.81 1.18 0.00 0.00 175.17 176.99 2k2b n PRO 16 N -0.99 0.19 0.10 8.23 -0.04 -1.26 -3.54 135.00 137.69 2k2b n PRO 16 Ca -0.04 0.45 -0.13 0.00 -0.04 0.00 0.00 63.50 63.74 2k2b n PRO 16 Cb 0.62 -1.88 -0.06 0.00 -0.04 0.00 0.00 33.50 32.13 2k2b n PRO 16 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2k2b h SER 17 N 0.00 -0.30 -0.04 3.54 0.02 -1.99 0.52 113.55 115.30 2k2b h SER 17 Ca 0.00 0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.90 2k2b h SER 17 Cb 0.33 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 2k2b h SER 17 CO 0.00 -0.18 -0.19 1.05 -1.14 0.00 0.00 176.83 176.38 2k2b h GLU 18 N -0.25 0.41 -0.10 3.45 9.09 -1.88 -0.95 114.58 124.34 2k2b h GLU 18 Ca 0.00 -0.13 0.02 0.00 0.05 0.00 0.00 59.36 59.30 2k2b h GLU 18 Cb 0.24 -0.04 -0.02 0.00 -1.65 0.00 0.00 28.75 27.29 2k2b h GLU 18 CO -0.03 0.59 -0.01 1.88 0.05 0.00 0.00 179.01 181.49 2k2b h TYR 19 N 0.38 -0.02 -0.01 2.06 -1.99 -1.55 0.29 116.97 116.12 2k2b h TYR 19 Ca 0.06 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.81 2k2b h TYR 19 Cb 0.55 0.02 -0.00 0.00 2.00 0.00 0.00 36.73 39.30 2k2b h TYR 19 CO 0.02 -0.02 0.01 0.52 -0.00 0.00 0.00 178.16 178.68 2k2b h MET 20 N 0.02 0.00 -0.00 4.88 2.86 -0.54 -0.38 114.93 121.78 2k2b h MET 20 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2k2b h MET 20 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 2k2b h MET 20 CO -0.09 0.00 -0.30 0.43 1.06 0.00 0.00 176.91 178.01 2k2b n SER 21 N -4.43 0.37 0.00 1.22 7.64 -0.40 -4.41 113.62 113.61 2k2b n SER 21 Ca -0.03 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.78 2k2b n SER 21 Cb 0.10 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 2k2b n SER 21 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2k2b n GLN 22 N -1.42 0.00 -5.09 1.43 7.27 0.92 -4.81 117.38 115.68 2k2b n GLN 22 Ca 0.07 0.33 -0.32 0.00 0.07 0.00 0.00 57.00 57.15 2k2b n GLN 22 Cb 0.33 -0.82 -0.15 0.00 2.41 0.00 0.00 30.24 32.02 2k2b n GLN 22 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2k2b s VAL 23 N -0.82 2.52 -2.31 1.69 1.01 -1.09 -4.64 120.40 116.76 2k2b s VAL 23 Ca 0.00 -0.91 0.29 0.00 0.00 0.00 0.00 61.98 61.35 2k2b s VAL 23 Cb 0.00 -1.95 0.58 0.00 0.00 0.00 0.00 36.38 35.01 2k2b s VAL 23 CO 0.00 0.57 1.82 0.00 0.00 0.00 0.00 175.10 177.49 2k2b n TYR 24 N 2.67 0.00 -0.05 5.22 9.36 -1.26 -4.77 117.16 128.33 2k2b n TYR 24 Ca -0.17 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.05 2k2b n TYR 24 Cb 0.52 -0.02 0.00 0.00 -0.63 0.00 0.00 39.34 39.21 2k2b n TYR 24 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2k2b n GLY 25 N 1.16 -3.57 3.71 2.98 0.00 -1.26 -4.89 105.19 103.32 2k2b n GLY 25 Ca 0.19 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 2k2b n GLY 25 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k2b n ASP 26 N -2.70 3.07 -0.36 1.61 2.03 -1.26 -4.85 116.55 114.08 2k2b n ASP 26 Ca 0.00 1.20 0.04 0.00 0.52 0.00 0.00 54.79 56.55 2k2b n ASP 26 Cb 0.00 -1.51 0.12 0.00 -0.72 0.00 0.00 41.12 39.00 2k2b n ASP 26 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2k2b h PRO 27 N 3.04 -0.00 -0.05 -0.67 0.10 -1.96 0.19 132.00 132.66 2k2b h PRO 27 Ca -0.47 0.00 -0.04 0.00 0.10 0.00 0.00 66.00 65.60 2k2b h PRO 27 Cb 1.27 0.00 -0.01 0.00 0.10 0.00 0.00 31.00 32.36 2k2b h PRO 27 CO 0.66 -0.00 -0.13 -0.07 0.10 0.00 0.00 178.00 178.55 2k2b h LEU 28 N -0.00 0.07 0.00 2.35 -0.00 -1.98 -2.23 115.31 113.52 2k2b h LEU 28 Ca 0.45 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.32 2k2b h LEU 28 Cb 0.70 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.34 2k2b h LEU 28 CO -1.02 0.22 0.00 0.00 -0.00 0.00 0.00 178.44 177.64 2k2b n ALA 29 N -2.50 -0.26 0.19 1.53 0.00 0.67 -1.56 120.51 118.58 2k2b n ALA 29 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.47 2k2b n ALA 29 Cb 0.23 0.05 0.40 0.00 0.00 0.00 0.00 19.45 20.12 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 0.30 0.00 -0.00 -1.63 -0.93 116.97 114.71 2k2b h TYR 30 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.72 2k2b h TYR 30 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 2k2b h TYR 30 CO 0.05 0.35 -0.15 1.25 -0.00 0.00 0.00 178.16 179.67 2k2b h LEU 31 N 0.00 -0.34 -1.47 0.10 6.46 -1.46 -2.52 115.31 116.07 2k2b h LEU 31 Ca -0.00 0.01 0.09 0.00 -0.12 0.00 0.00 57.88 57.85 2k2b h LEU 31 Cb 0.70 0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.68 2k2b h LEU 31 CO 0.05 -0.23 0.45 1.56 -0.62 0.00 0.00 178.44 179.65 2k2b h GLN 32 N -0.45 0.59 0.02 1.25 1.08 -1.30 -0.11 115.11 116.19 2k2b h GLN 32 Ca -0.04 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2k2b h GLN 32 Cb 0.31 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 27.61 2k2b h GLN 32 CO 0.07 0.39 -0.05 1.49 -0.95 0.00 0.00 178.83 179.78 2k2b h GLU 33 N 0.61 -0.07 0.00 1.46 4.22 -1.13 -2.29 114.58 117.37 2k2b h GLU 33 Ca 0.31 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.76 2k2b h GLU 33 Cb 0.42 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2k2b h GLU 33 CO -0.10 -0.05 -0.57 0.25 -2.18 0.00 0.00 179.01 176.36 2k2b n THR 34 N -2.67 0.10 0.01 0.32 -2.24 -0.95 0.75 114.28 109.60 2k2b n THR 34 Ca -0.01 -0.09 -0.18 0.00 -2.27 0.00 0.00 64.05 61.50 2k2b n THR 34 Cb 0.04 0.15 -0.08 0.00 -2.10 0.00 0.00 70.33 68.33 2k2b n THR 34 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2k2b h THR 35 N 0.00 1.28 0.00 4.28 2.02 -1.07 -3.29 112.91 116.13 2k2b h THR 35 Ca 0.00 -2.12 -0.05 0.00 0.77 0.00 0.00 66.41 65.01 2k2b h THR 35 Cb 0.58 2.19 -0.01 0.00 -1.74 0.00 0.00 68.15 69.17 2k2b h THR 35 CO 0.00 0.66 -1.47 0.29 0.37 0.00 0.00 175.52 175.38 2k2b n LYS 36 N -3.89 0.63 -1.92 6.66 5.02 -0.86 -5.07 118.16 118.73 2k2b n LYS 36 Ca -0.09 0.03 -0.01 0.00 -2.02 0.00 0.00 58.31 56.21 2k2b n LYS 36 Cb 0.82 -1.71 -0.01 0.00 -0.02 0.00 0.00 35.03 34.11 2k2b n LYS 36 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2k2b n PHE 37 N -2.58 -1.61 -2.88 2.13 7.35 0.23 -4.73 117.46 115.36 2k2b n PHE 37 Ca -0.05 0.86 -0.27 0.00 -0.76 0.00 0.00 57.45 57.23 2k2b n PHE 37 Cb 0.64 -2.42 0.03 0.00 0.35 0.00 0.00 39.48 38.07 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 0.50 -2.69 0.00 -2.13 0.24 -0.92 -4.85 118.33 108.48 2k2b n VAL 38 Ca -0.10 0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 2k2b n VAL 38 Cb 0.16 -2.45 0.00 0.00 -1.47 0.00 0.00 33.84 30.08 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 -0.36 0.00 -3.68 3.34 -1.04 -1.26 -4.94 114.28 106.33 2k2b n THR 39 Ca -0.09 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.56 2k2b n THR 39 Cb 0.49 -0.01 -0.07 0.00 -1.82 0.00 0.00 70.33 68.93 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 -1.22 3.88 0.52 -2.82 0.41 -1.26 -4.96 118.70 113.25 2k2b s GLU 40 Ca 0.00 0.04 0.32 0.00 -0.41 0.00 0.00 54.97 54.92 2k2b s GLU 40 Cb 0.00 -3.30 1.21 0.00 -1.78 0.00 0.00 34.13 30.26 2k2b s GLU 40 CO 0.00 0.54 1.92 0.00 -0.49 0.00 0.00 175.26 177.23 2k2b h ARG 41 N 5.64 0.00 -0.97 1.61 2.47 -2.01 -2.95 114.38 118.17 2k2b h ARG 41 Ca -0.48 0.00 0.11 0.00 -1.26 0.00 0.00 59.98 58.35 2k2b h ARG 41 Cb 1.20 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 29.39 2k2b h ARG 41 CO 0.66 0.00 -0.50 0.39 0.56 0.00 0.00 179.97 181.08 2k2b n GLU 42 N -3.06 -0.36 0.01 0.04 1.02 -1.26 -0.58 120.64 116.46 2k2b n GLU 42 Ca 0.01 1.47 -0.21 0.00 -0.02 0.00 0.00 57.16 58.42 2k2b n GLU 42 Cb 0.34 -2.17 -0.14 0.00 -0.02 0.00 0.00 31.44 29.44 2k2b n GLU 42 CO 0.00 0.00 0.00 0.10 1.18 0.00 0.00 177.13 178.41 2k2b h TYR 43 N 0.00 0.49 -0.29 -0.32 -0.00 -1.89 -3.35 116.97 111.61 2k2b h TYR 43 Ca 0.22 -0.36 0.09 0.00 -0.00 0.00 0.00 58.73 58.68 2k2b h TYR 43 Cb 0.46 -0.02 -0.01 0.00 -0.00 0.00 0.00 36.73 37.16 2k2b h TYR 43 CO -0.95 1.73 0.25 1.88 -0.00 0.00 0.00 178.16 181.08 2k2b h TYR 44 N 0.07 0.00 0.00 0.10 0.05 -1.32 0.23 116.97 116.10 2k2b h TYR 44 Ca -0.41 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.37 2k2b h TYR 44 Cb 2.04 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.78 2k2b h TYR 44 CO 0.08 0.00 -0.09 1.49 -1.05 0.00 0.00 178.16 178.59 2k2b h GLU 45 N 0.00 0.00 0.00 4.88 4.81 -1.01 -3.35 114.58 119.92 2k2b h GLU 45 Ca 0.14 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2k2b h GLU 45 Cb 0.64 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.02 2k2b h GLU 45 CO -0.00 0.06 -1.32 -3.47 -0.73 0.00 0.00 179.01 173.55 2k2b n ASP 46 N -4.74 1.81 -0.33 1.04 2.03 -1.21 -4.54 116.55 110.61 2k2b n ASP 46 Ca -0.02 -0.19 0.08 0.00 0.52 0.00 0.00 54.79 55.19 2k2b n ASP 46 Cb 0.07 1.43 0.16 0.00 -0.72 0.00 0.00 41.12 42.06 2k2b n ASP 46 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2k2b n PHE 47 N -1.77 0.00 -0.84 -0.67 3.72 0.14 -4.98 117.46 113.05 2k2b n PHE 47 Ca -0.01 -1.18 -0.31 0.00 -0.05 0.00 0.00 57.45 55.90 2k2b n PHE 47 Cb 0.29 -0.19 0.15 0.00 -0.94 0.00 0.00 39.48 38.79 2k2b n PHE 47 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2k2b s GLY 48 N -2.97 1.68 0.00 1.37 0.00 0.58 -4.52 107.32 103.46 2k2b s GLY 48 Ca 0.34 0.47 0.00 0.00 0.00 0.00 0.00 44.72 45.52 2k2b s GLY 48 CO -0.02 0.88 0.00 -1.72 0.00 0.00 0.00 173.10 172.25 2k2b n TYR 49 N -4.08 0.00 0.00 1.90 4.02 -1.25 -4.53 117.16 113.22 2k2b n TYR 49 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.00 2k2b n TYR 49 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 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 0.00 0.11 0.22 2.72 0.00 -1.26 -4.74 105.19 102.25 2k2b n GLY 50 Ca 0.00 0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 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 0.44 0.17 1.61 0.00 -1.26 -4.36 120.64 117.24 2k2b n GLU 51 Ca 0.00 0.14 0.13 0.00 0.00 0.00 0.00 57.16 57.43 2k2b n GLU 51 Cb 0.00 -1.29 0.58 0.00 0.00 0.00 0.00 31.44 30.74 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 -2.13 0.00 3.04 -1.81 -3.28 116.94 112.77 2k2b h PHE 53 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2k2b h PHE 53 Cb 0.30 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.81 2k2b h PHE 53 CO 0.00 0.16 0.00 0.09 -2.02 0.00 0.00 178.31 176.54 2k2b n ASN 54 N -3.24 0.00 0.08 0.41 3.02 -0.63 -4.71 115.26 110.20 2k2b n ASN 54 Ca 0.01 -0.36 -0.03 0.00 -0.03 0.00 0.00 54.58 54.17 2k2b n ASN 54 Cb 0.46 0.00 0.18 0.00 -0.61 0.00 0.00 39.78 39.81 2k2b n ASN 54 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 2k2b h SER 55 N 0.00 0.28 -5.14 6.41 0.87 -1.89 -3.47 113.55 110.61 2k2b h SER 55 Ca 0.00 -0.13 -0.07 0.00 -1.23 0.00 0.00 61.79 60.35 2k2b h SER 55 Cb 0.00 -0.08 -0.13 0.00 -0.44 0.00 0.00 62.40 61.75 2k2b h SER 55 CO 0.00 0.72 -0.25 0.28 -0.53 0.00 0.00 176.83 177.05 2k2b s THR 56 N -4.01 0.10 0.76 2.23 -1.32 -1.26 -5.13 115.64 107.01 2k2b s THR 56 Ca -0.04 -1.00 -0.11 0.00 -1.21 0.00 0.00 61.69 59.33 2k2b s THR 56 Cb 0.13 -1.37 0.05 0.00 -1.51 0.00 0.00 72.50 69.80 2k2b s THR 56 CO 0.78 -0.47 1.08 -1.83 -2.21 0.00 0.00 174.62 171.97 2k2b s GLU 57 N -3.86 2.37 -0.12 7.08 -1.05 -1.26 -4.61 118.70 117.25 2k2b s GLU 57 Ca 0.06 0.94 -0.03 0.00 -0.15 0.00 0.00 54.97 55.79 2k2b s GLU 57 Cb 0.03 -1.93 -0.03 0.00 -0.44 0.00 0.00 34.13 31.77 2k2b s GLU 57 CO -0.09 -1.50 -0.01 -1.54 0.95 0.00 0.00 175.26 173.06 2k2b s SER 58 N -3.65 5.05 0.38 0.83 1.04 -1.26 -5.00 113.70 111.08 2k2b s SER 58 Ca 0.60 0.02 0.20 0.00 0.48 0.00 0.00 55.95 57.25 2k2b s SER 58 Cb -0.15 -1.60 0.66 0.00 0.10 0.00 0.00 66.02 65.03 2k2b s SER 58 CO 0.55 0.28 1.72 -0.33 0.98 0.00 0.00 173.24 176.44 2k2b h GLU 59 N 5.89 0.00 -7.27 4.02 3.07 -1.99 -3.45 114.58 114.85 2k2b h GLU 59 Ca -0.42 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 57.93 2k2b h GLU 59 Cb 1.19 0.00 0.11 0.00 -0.84 0.00 0.00 28.75 29.20 2k2b h GLU 59 CO 0.59 0.35 0.35 0.54 -1.40 0.00 0.00 179.01 179.44 2k2b s VAL 60 N -3.54 3.47 -0.43 3.13 0.11 -1.26 -4.89 120.40 116.99 2k2b s VAL 60 Ca 0.01 0.57 -0.30 0.00 -2.93 0.00 0.00 61.98 59.33 2k2b s VAL 60 Cb 0.10 -3.11 -0.09 0.00 -1.53 0.00 0.00 36.38 31.75 2k2b s VAL 60 CO 0.68 -0.54 2.33 0.00 -3.33 0.00 0.00 175.10 174.24 2k2b n GLN 61 N -2.92 1.19 0.00 1.54 6.02 -1.26 -4.74 117.38 117.21 2k2b n GLN 61 Ca 0.09 0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.31 2k2b n GLN 61 Cb 0.53 -2.90 0.00 0.00 1.02 0.00 0.00 30.24 28.88 2k2b n GLN 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k2b s GLU 63 N 0.65 4.21 0.00 0.00 -6.30 -1.26 -4.75 118.70 111.25 2k2b s GLU 63 Ca 0.00 0.05 0.00 0.00 -2.50 0.00 0.00 54.97 52.52 2k2b s GLU 63 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 34.13 30.72 2k2b s GLU 63 CO 0.00 0.28 0.60 -0.11 0.02 0.00 0.00 175.26 176.05 2k2b n LEU 64 N 3.46 0.46 -1.41 2.70 7.94 -1.26 -5.00 117.00 123.89 2k2b n LEU 64 Ca -0.13 -0.46 -0.01 0.00 -1.11 0.00 0.00 56.01 54.30 2k2b n LEU 64 Cb 0.52 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.46 2k2b n LEU 64 CO 0.39 0.11 -0.02 2.30 -1.11 0.00 0.00 177.39 179.07 2k2b n ILE 65 N -0.11 -0.02 -2.46 1.96 -5.35 -1.26 -4.76 119.36 107.35 2k2b n ILE 65 Ca 0.00 0.00 -0.17 0.00 -0.27 0.00 0.00 62.75 62.31 2k2b n ILE 65 Cb 0.43 -0.16 0.02 0.00 -1.74 0.00 0.00 39.64 38.20 2k2b n ILE 65 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 2k2b n THR 66 N -1.48 1.90 -2.80 7.28 -1.04 -1.26 -4.98 114.28 111.90 2k2b n THR 66 Ca -0.02 -3.95 0.00 0.00 -2.04 0.00 0.00 64.05 58.04 2k2b n THR 66 Cb 0.17 -0.32 0.00 0.00 -1.82 0.00 0.00 70.33 68.35 2k2b n THR 66 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k2b n GLY 67 N -0.47 1.61 0.11 3.41 0.00 -1.26 -4.74 105.19 103.85 2k2b n GLY 67 Ca 0.28 -0.73 0.09 0.00 0.00 0.00 0.00 46.02 45.65 2k2b n GLY 67 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k2b n GLU 68 N 0.00 0.12 -0.04 1.61 2.13 -1.26 -2.12 120.64 121.07 2k2b n GLU 68 Ca 0.00 0.52 0.23 0.00 0.66 0.00 0.00 57.16 58.58 2k2b n GLU 68 Cb 0.00 -1.81 0.72 0.00 0.27 0.00 0.00 31.44 30.61 2k2b n GLU 68 CO 0.00 0.00 0.00 0.74 -0.41 0.00 0.00 177.13 177.46 2k2b h PHE 69 N 0.00 0.00 -2.94 4.31 0.04 -1.96 -3.29 116.94 113.10 2k2b h PHE 69 Ca 0.00 0.00 -0.60 0.00 2.80 0.00 0.00 57.97 60.17 2k2b h PHE 69 Cb 0.11 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.23 2k2b h PHE 69 CO 0.00 0.00 -0.45 0.34 -0.60 0.00 0.00 178.31 177.60 2k2b s ASP 70 N -5.78 6.39 0.00 2.17 -1.08 -0.90 -4.80 116.67 112.67 2k2b s ASP 70 Ca -0.05 0.33 0.00 0.00 -0.52 0.00 0.00 52.55 52.32 2k2b s ASP 70 Cb 0.19 -1.99 0.00 0.00 -1.46 0.00 0.00 42.92 39.67 2k2b s ASP 70 CO 0.70 0.13 0.48 -2.65 0.52 0.00 0.00 175.17 174.35 2k2b n PRO 71 N 0.16 0.00 -0.36 4.34 -0.02 -1.26 -2.60 135.00 135.26 2k2b n PRO 71 Ca -0.05 0.09 -0.03 0.00 -2.02 0.00 0.00 63.50 61.50 2k2b n PRO 71 Cb 0.51 -1.77 0.01 0.00 -0.02 0.00 0.00 33.50 32.24 2k2b n PRO 71 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2k2b n LYS 72 N -0.98 -0.25 -0.01 -0.52 0.00 -1.26 -3.64 118.16 111.50 2k2b n LYS 72 Ca 0.00 1.41 -0.01 0.00 0.00 0.00 0.00 58.31 59.71 2k2b n LYS 72 Cb 0.27 -2.09 -0.02 0.00 0.00 0.00 0.00 35.03 33.19 2k2b n LYS 72 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2k2b n LEU 73 N -5.32 0.00 -4.68 3.14 4.32 -1.07 -5.04 117.00 108.35 2k2b n LEU 73 Ca 0.08 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.65 2k2b n LEU 73 Cb 0.35 0.05 -0.03 0.00 -1.62 0.00 0.00 43.42 42.17 2k2b n LEU 73 CO -0.13 0.05 1.27 -0.22 -1.22 0.00 0.00 177.39 177.15 2k2b s LEU 74 N -3.99 4.33 0.76 2.23 2.96 -1.15 -5.01 118.68 118.81 2k2b s LEU 74 Ca -0.01 2.28 -0.14 0.00 -0.22 0.00 0.00 54.13 56.04 2k2b s LEU 74 Cb 0.01 -3.55 0.06 0.00 0.50 0.00 0.00 46.19 43.21 2k2b s LEU 74 CO 0.12 -0.85 1.18 -2.84 -1.32 0.00 0.00 176.35 172.64 2k2b s PRO 75 N 3.03 2.00 -0.39 0.98 0.02 -1.26 -4.40 135.00 134.97 2k2b s PRO 75 Ca 0.70 1.63 0.03 0.00 0.02 0.00 0.00 61.00 63.38 2k2b s PRO 75 Cb -0.35 -1.83 0.11 0.00 0.02 0.00 0.00 34.50 32.45 2k2b s PRO 75 CO 0.29 -1.91 0.12 1.52 -0.33 0.00 0.00 177.00 176.69 2k2b s TYR 76 N -2.22 3.64 0.09 6.54 1.13 -1.26 -4.70 117.35 120.57 2k2b s TYR 76 Ca 0.71 -2.92 0.09 0.00 -1.41 0.00 0.00 57.07 53.54 2k2b s TYR 76 Cb -0.26 -2.98 -0.04 0.00 -1.10 0.00 0.00 41.96 37.59 2k2b s TYR 76 CO 0.48 -0.92 -0.21 -0.51 -2.51 0.00 0.00 175.55 171.88 2k2b s ASP 77 N 0.89 3.68 0.00 -0.18 1.01 -1.26 -4.97 116.67 115.84 2k2b s ASP 77 Ca 0.12 -0.56 0.00 0.00 0.71 0.00 0.00 52.55 52.81 2k2b s ASP 77 Cb -0.21 -0.47 0.00 0.00 1.01 0.00 0.00 42.92 43.25 2k2b s ASP 77 CO -0.06 0.21 0.30 0.29 0.21 0.00 0.00 175.17 176.12 2k2b n LYS 78 N 1.14 0.00 0.07 8.23 5.02 -1.26 -0.23 118.16 131.13 2k2b n LYS 78 Ca -0.16 0.30 -0.05 0.00 -2.02 0.00 0.00 58.31 56.37 2k2b n LYS 78 Cb 0.52 -0.77 -0.09 0.00 -0.02 0.00 0.00 35.03 34.67 2k2b n LYS 78 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k2b h ARG 79 N 0.00 0.00 0.90 1.97 3.08 -1.99 -2.43 114.38 115.92 2k2b h ARG 79 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 2k2b h ARG 79 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.06 2k2b h ARG 79 CO 0.00 0.85 -0.43 -0.07 -1.07 0.00 0.00 179.97 179.25 2k2b h LEU 80 N 0.00 -1.03 -0.56 3.04 4.07 -1.91 -1.43 115.31 117.49 2k2b h LEU 80 Ca -0.03 0.03 -0.08 0.00 0.08 0.00 0.00 57.88 57.88 2k2b h LEU 80 Cb 1.71 0.27 -0.02 0.00 1.08 0.00 0.00 40.66 43.70 2k2b h LEU 80 CO 0.11 -0.73 0.05 0.00 -1.08 0.00 0.00 178.44 176.79 2k2b h ALA 81 N -1.13 0.76 -0.05 1.53 0.00 -0.72 -2.52 119.26 117.12 2k2b h ALA 81 Ca -0.12 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.55 2k2b h ALA 81 Cb 0.93 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 2k2b h ALA 81 CO 0.20 0.54 -0.37 2.35 0.00 0.00 0.00 179.25 181.98 2k2b h TRP 82 N 0.85 -1.02 0.14 0.00 2.91 -1.43 0.79 115.95 118.18 2k2b h TRP 82 Ca 0.17 0.04 -0.01 0.00 1.13 0.00 0.00 58.89 60.22 2k2b h TRP 82 Cb 0.48 0.46 0.00 0.00 -0.51 0.00 0.00 29.16 29.59 2k2b h TRP 82 CO 0.04 -0.45 -0.07 0.45 -1.03 0.00 0.00 178.44 177.38 2k2b h HIS 83 N -0.49 -0.17 0.46 2.65 3.86 -1.21 0.11 115.15 120.36 2k2b h HIS 83 Ca 0.07 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.25 2k2b h HIS 83 Cb 0.60 0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.13 2k2b h HIS 83 CO -0.41 -0.09 -0.22 0.35 0.86 0.00 0.00 177.93 178.42 2k2b h PHE 84 N -0.20 -0.57 -0.03 2.45 3.57 -1.36 -0.62 116.94 120.18 2k2b h PHE 84 Ca -0.02 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.49 2k2b h PHE 84 Cb 0.16 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 2k2b h PHE 84 CO -0.06 -0.33 -0.11 -0.22 -2.23 0.00 0.00 178.31 175.36 2k2b h LYS 85 N -0.68 -0.18 -0.95 1.11 3.64 -0.85 -2.40 116.57 116.26 2k2b h LYS 85 Ca -0.06 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.43 2k2b h LYS 85 Cb 0.51 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.29 2k2b h LYS 85 CO 0.10 -0.12 0.59 1.49 -2.27 0.00 0.00 179.45 179.24 2k2b h GLU 86 N -0.18 0.93 -0.69 1.90 4.57 -0.71 1.32 114.58 121.72 2k2b h GLU 86 Ca 0.05 -0.06 0.10 0.00 -1.18 0.00 0.00 59.36 58.27 2k2b h GLU 86 Cb 0.25 -0.21 -0.07 0.00 -0.16 0.00 0.00 28.75 28.56 2k2b h GLU 86 CO -0.13 0.62 0.32 0.35 -1.18 0.00 0.00 179.01 178.98 2k2b h PHE 87 N 0.96 0.56 -0.46 0.92 3.57 -0.67 -2.41 116.94 119.41 2k2b h PHE 87 Ca 0.46 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.99 2k2b h PHE 87 Cb 0.40 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.99 2k2b h PHE 87 CO -0.02 0.18 0.00 0.00 -2.23 0.00 0.00 178.31 176.23 2k2b n TYR 89 N 0.41 0.00 -2.36 0.00 9.36 0.44 -4.91 117.16 120.10 2k2b n TYR 89 Ca 0.22 0.00 -0.18 0.00 3.32 0.00 0.00 57.90 61.26 2k2b n TYR 89 Cb 0.84 -0.20 -0.01 0.00 -0.63 0.00 0.00 39.34 39.35 2k2b n TYR 89 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2k2b n LYS 90 N -1.20 -1.54 -2.14 2.98 5.02 -1.26 -4.94 118.16 115.07 2k2b n LYS 90 Ca 0.17 0.87 -0.42 0.00 -2.02 0.00 0.00 58.31 56.91 2k2b n LYS 90 Cb 0.20 -5.38 -0.03 0.00 -0.02 0.00 0.00 35.03 29.80 2k2b n LYS 90 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2k2b s THR 91 N -2.91 3.59 -0.59 -0.18 2.01 -1.26 -4.91 115.64 111.39 2k2b s THR 91 Ca 0.01 0.55 -0.26 0.00 0.31 0.00 0.00 61.69 62.30 2k2b s THR 91 Cb -0.00 -3.94 -0.08 0.00 0.01 0.00 0.00 72.50 68.49 2k2b s THR 91 CO 0.01 -0.70 2.31 -0.44 -0.69 0.00 0.00 174.62 175.11 2k2b s SER 92 N 5.80 4.46 -0.08 3.53 0.01 -1.26 -4.72 113.70 121.45 2k2b s SER 92 Ca 0.69 0.68 -0.29 0.00 1.31 0.00 0.00 55.95 58.34 2k2b s SER 92 Cb -0.17 -2.52 -0.06 0.00 0.21 0.00 0.00 66.02 63.49 2k2b s SER 92 CO 0.29 -3.02 1.80 0.00 0.41 0.00 0.00 173.24 172.72 2k2b s ALA 93 N 12.24 3.45 0.00 1.44 0.00 -1.24 -4.75 121.76 132.91 2k2b s ALA 93 Ca 0.91 0.95 0.00 0.00 0.00 0.00 0.00 51.96 53.82 2k2b s ALA 93 Cb -0.15 -3.83 0.00 0.00 0.00 0.00 0.00 23.12 19.14 2k2b s ALA 93 CO 0.20 -1.69 0.00 0.72 0.00 0.00 0.00 175.76 174.99 2k2b n HIS 94 N 7.96 0.00 -0.08 0.00 8.25 -1.26 -4.86 115.22 125.23 2k2b n HIS 94 Ca 0.20 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.53 2k2b n HIS 94 Cb 0.43 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.47 2k2b n HIS 94 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2k2b h GLY 95 N 0.00 0.00 -7.32 -1.41 0.00 -1.93 -3.44 103.07 88.97 2k2b h GLY 95 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 2k2b h GLY 95 CO 0.00 0.00 -0.76 -0.26 0.00 0.00 0.00 176.54 175.52 2k2b s ILE 96 N -2.24 0.98 0.28 2.60 -0.00 -1.26 -3.39 121.20 118.17 2k2b s ILE 96 Ca -0.20 -1.15 -0.02 0.00 -0.00 0.00 0.00 60.65 59.28 2k2b s ILE 96 Cb 0.03 -1.55 0.33 0.00 -0.00 0.00 0.00 42.46 41.27 2k2b s ILE 96 CO 0.40 -0.41 1.62 -0.65 -0.00 0.00 0.00 174.94 175.90 2k2b h PRO 97 N 8.08 0.10 -6.31 0.37 0.11 -1.79 -3.40 132.00 129.17 2k2b h PRO 97 Ca -0.15 -0.01 -0.69 0.00 0.11 0.00 0.00 66.00 65.27 2k2b h PRO 97 Cb 1.06 -0.02 -0.21 0.00 0.11 0.00 0.00 31.00 31.94 2k2b h PRO 97 CO 0.42 0.07 -0.74 1.41 -0.21 0.00 0.00 178.00 178.95 2k2b s MET 98 N -6.03 2.52 0.23 1.05 -2.45 -1.25 -4.85 119.30 108.51 2k2b s MET 98 Ca -0.13 -0.70 -0.07 0.00 -1.25 0.00 0.00 55.69 53.54 2k2b s MET 98 Cb 0.25 -2.43 0.35 0.00 1.25 0.00 0.00 34.83 34.25 2k2b s MET 98 CO 0.77 0.62 1.76 0.82 1.05 0.00 0.00 175.02 180.04 2k2b h ILE 99 N 4.14 0.79 0.00 10.11 1.08 -1.90 -3.32 117.51 128.41 2k2b h ILE 99 Ca -0.48 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 63.81 2k2b h ILE 99 Cb 1.16 0.21 0.00 0.00 -3.07 0.00 0.00 36.82 35.13 2k2b h ILE 99 CO 0.51 0.10 0.00 0.61 -0.69 0.00 0.00 178.15 178.68 2k2b n GLY 100 N -1.30 -1.74 2.68 5.37 0.00 -1.26 -4.85 105.19 104.09 2k2b n GLY 100 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.91 -0.08 1.61 2.12 -1.26 -5.10 118.70 116.91 2k2b s GLU 101 Ca 0.00 -1.48 0.01 0.00 0.36 0.00 0.00 54.97 53.85 2k2b s GLU 101 Cb 0.00 -2.01 0.02 0.00 0.26 0.00 0.00 34.13 32.40 2k2b s GLU 101 CO 0.00 -1.09 -0.08 0.00 -0.54 0.00 0.00 175.26 173.55 2k2b s ALA 102 N 1.03 1.10 0.50 6.30 0.00 -1.25 -4.92 121.76 124.51 2k2b s ALA 102 Ca 0.14 -0.35 -0.22 0.00 0.00 0.00 0.00 51.96 51.53 2k2b s ALA 102 Cb -0.21 -0.67 -0.06 0.00 0.00 0.00 0.00 23.12 22.18 2k2b s ALA 102 CO -0.11 -0.15 1.21 -2.14 0.00 0.00 0.00 175.76 174.58 2k2b s PRO 103 N 1.20 3.50 0.61 0.00 0.02 -1.26 -4.06 135.00 135.01 2k2b s PRO 103 Ca -0.05 1.88 0.32 0.00 0.02 0.00 0.00 61.00 63.17 2k2b s PRO 103 Cb -0.14 -2.29 1.84 0.00 0.02 0.00 0.00 34.50 33.92 2k2b s PRO 103 CO -0.02 -0.80 2.18 1.37 -0.33 0.00 0.00 177.00 179.40 2k2b h LEU 104 N 1.73 0.00 -8.65 -5.54 8.10 -1.85 -3.39 115.31 105.71 2k2b h LEU 104 Ca -0.50 0.00 -0.68 0.00 0.11 0.00 0.00 57.88 56.81 2k2b h LEU 104 Cb 1.27 0.00 -0.18 0.00 -0.44 0.00 0.00 40.66 41.30 2k2b h LEU 104 CO 0.59 0.00 -0.33 -1.83 -4.11 0.00 0.00 178.44 172.75 2k2b s GLU 105 N -4.51 3.35 0.19 0.17 -1.05 -1.26 -4.96 118.70 110.63 2k2b s GLU 105 Ca -0.05 -0.64 0.11 0.00 -0.15 0.00 0.00 54.97 54.25 2k2b s GLU 105 Cb 0.14 -3.87 -0.04 0.00 -0.44 0.00 0.00 34.13 29.92 2k2b s GLU 105 CO 0.50 -0.62 -0.22 -3.38 0.95 0.00 0.00 175.26 172.49 2k2b s HIS 106 N 1.93 2.34 0.28 4.83 -3.43 -1.26 -5.14 115.29 114.84 2k2b s HIS 106 Ca 0.10 -0.34 -0.04 0.00 -0.80 0.00 0.00 55.06 53.97 2k2b s HIS 106 Cb -0.17 -1.17 -0.05 0.00 -1.43 0.00 0.00 32.58 29.76 2k2b s HIS 106 CO 0.12 0.49 0.53 -1.58 -2.00 0.00 0.00 174.74 172.30 2k2b s HIS 107 N -1.63 3.48 -0.81 0.38 2.46 -1.26 -5.02 115.29 112.89 2k2b s HIS 107 Ca 0.21 0.60 -0.26 0.00 0.47 0.00 0.00 55.06 56.08 2k2b s HIS 107 Cb -0.08 -2.07 0.03 0.00 -0.13 0.00 0.00 32.58 30.33 2k2b s HIS 107 CO 0.10 0.20 1.43 -1.01 -2.47 0.00 0.00 174.74 172.99 2k2b s HIS 108 N -2.06 2.25 -0.13 3.88 3.76 -1.26 -4.78 115.29 116.94 2k2b s HIS 108 Ca 0.43 -0.13 0.18 0.00 -0.15 0.00 0.00 55.06 55.40 2k2b s HIS 108 Cb -0.11 -4.55 -0.16 0.00 1.11 0.00 0.00 32.58 28.87 2k2b s HIS 108 CO 0.30 -2.05 0.70 1.58 -0.85 0.00 0.00 174.74 174.42 2k2b n HIS 109 N 9.90 0.73 -3.17 1.40 -0.00 -1.26 -4.80 115.22 118.02 2k2b n HIS 109 Ca 0.15 0.24 -0.41 0.00 0.46 0.00 0.00 57.72 58.16 2k2b n HIS 109 Cb 0.50 -0.99 -0.07 0.00 -0.12 0.00 0.00 29.99 29.31 2k2b n HIS 109 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2k2b s HIS 110 N -2.99 3.18 -1.55 1.57 5.65 -1.26 -5.21 115.29 114.68 2k2b s HIS 110 Ca -0.04 0.34 0.12 0.00 0.25 0.00 0.00 55.06 55.73 2k2b s HIS 110 Cb 0.09 -3.00 0.10 0.00 -1.18 0.00 0.00 32.58 28.59 2k2b s HIS 110 CO 0.82 -0.54 0.89 -2.39 -0.65 0.00 0.00 174.74 172.87