#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 0.00 7.83 3.41 -1.26 -4.67 113.62 118.93 2k2b n SER 2 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.66 2k2b n SER 2 Cb 0.00 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.16 2k2b n SER 2 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2k2b n TRP 3 N 0.00 0.00 0.08 7.33 8.01 -1.26 -2.21 117.44 129.40 2k2b n TRP 3 Ca 0.00 0.00 -0.03 0.00 -1.31 0.00 0.00 57.50 56.16 2k2b n TRP 3 Cb 0.00 -0.45 -0.02 0.00 -2.01 0.00 0.00 31.31 28.83 2k2b n TRP 3 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 177.69 178.66 2k2b h MET 4 N 0.00 -0.20 -0.92 -0.99 4.05 -1.89 0.22 114.93 115.20 2k2b h MET 4 Ca 0.00 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.42 2k2b h MET 4 Cb 0.15 0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 30.95 2k2b h MET 4 CO 0.00 -0.14 0.53 0.37 0.23 0.00 0.00 176.91 177.91 2k2b h GLN 5 N -0.21 1.27 -0.72 0.39 5.75 -1.66 -2.55 115.11 117.38 2k2b h GLN 5 Ca -0.02 -0.13 -0.00 0.00 -0.15 0.00 0.00 58.65 58.34 2k2b h GLN 5 Cb 0.16 -0.26 -0.03 0.00 1.07 0.00 0.00 27.48 28.42 2k2b h GLN 5 CO 0.03 0.91 0.44 -0.97 -2.65 0.00 0.00 178.83 176.59 2k2b h ASN 6 N 1.28 0.87 -0.71 -0.69 -1.24 -1.47 0.23 115.58 113.85 2k2b h ASN 6 Ca 0.33 -0.06 -0.06 0.00 0.71 0.00 0.00 56.30 57.22 2k2b h ASN 6 Cb -0.01 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 38.79 2k2b h ASN 6 CO -0.06 0.67 0.20 0.25 -1.29 0.00 0.00 177.43 177.21 2k2b h LEU 7 N 0.99 1.06 -0.62 0.34 5.85 -0.37 -1.09 115.31 121.46 2k2b h LEU 7 Ca 0.26 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.78 2k2b h LEU 7 Cb -0.04 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.68 2k2b h LEU 7 CO -0.05 1.00 0.39 0.50 -0.34 0.00 0.00 178.44 179.94 2k2b h LYS 8 N 1.06 0.76 0.00 1.25 3.11 -1.00 -2.80 116.57 118.96 2k2b h LYS 8 Ca 0.23 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 58.02 2k2b h LYS 8 Cb 0.33 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 31.39 2k2b h LYS 8 CO -0.00 0.51 0.00 -0.91 -2.81 0.00 0.00 179.45 176.23 2k2b h ASN 9 N 0.79 0.00 -0.73 4.20 2.35 0.13 -2.70 115.58 119.61 2k2b h ASN 9 Ca 0.24 0.00 0.18 0.00 -0.55 0.00 0.00 56.30 56.17 2k2b h ASN 9 Cb -0.02 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.31 2k2b h ASN 9 CO -0.08 0.00 0.51 0.22 -1.65 0.00 0.00 177.43 176.42 2k2b h TYR 10 N 0.00 0.28 -1.53 1.19 3.20 -0.94 -3.45 116.97 115.72 2k2b h TYR 10 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2k2b h TYR 10 Cb 0.46 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.64 2k2b h TYR 10 CO 0.00 0.09 0.00 0.00 -1.64 0.00 0.00 178.16 176.61 2k2b n GLN 11 N -4.42 0.00 -0.02 1.82 0.00 -1.02 -5.07 117.38 108.66 2k2b n GLN 11 Ca 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 57.00 57.07 2k2b n GLN 11 Cb 0.65 0.00 -0.13 0.00 0.00 0.00 0.00 30.24 30.75 2k2b n GLN 11 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 2k2b n HIS 12 N 0.00 0.85 -3.77 2.61 8.25 -1.26 -4.91 115.22 116.99 2k2b n HIS 12 Ca 0.00 0.30 -0.13 0.00 -0.26 0.00 0.00 57.72 57.63 2k2b n HIS 12 Cb 0.00 -1.14 -0.14 0.00 1.12 0.00 0.00 29.99 29.84 2k2b n HIS 12 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 2k2b s LEU 13 N -5.94 0.94 0.34 2.41 0.05 -1.26 -5.05 118.68 110.18 2k2b s LEU 13 Ca -0.05 0.32 0.04 0.00 0.05 0.00 0.00 54.13 54.49 2k2b s LEU 13 Cb 0.08 0.45 -0.06 0.00 -2.05 0.00 0.00 46.19 44.61 2k2b s LEU 13 CO 0.82 -0.12 0.06 -0.60 -0.55 0.00 0.00 176.35 175.97 2k2b s ARG 14 N 0.80 1.71 -0.26 1.48 6.06 -1.26 -5.09 118.95 122.39 2k2b s ARG 14 Ca -0.06 -1.97 -0.28 0.00 -2.50 0.00 0.00 55.73 50.92 2k2b s ARG 14 Cb -0.08 -0.88 -0.04 0.00 0.06 0.00 0.00 34.95 34.02 2k2b s ARG 14 CO -0.04 -0.22 2.05 -0.51 -2.50 0.00 0.00 175.30 174.08 2k2b s ASP 15 N -3.52 5.63 0.00 -2.12 1.01 -1.26 -4.77 116.67 111.64 2k2b s ASP 15 Ca 0.34 1.66 0.00 0.00 0.71 0.00 0.00 52.55 55.26 2k2b s ASP 15 Cb 0.08 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.49 2k2b s ASP 15 CO 0.15 -1.86 0.57 -2.65 0.21 0.00 0.00 175.17 171.59 2k2b n PRO 16 N 8.62 0.00 -0.12 8.23 -0.02 -1.26 -4.27 135.00 146.18 2k2b n PRO 16 Ca 0.27 -0.28 -0.23 0.00 -2.02 0.00 0.00 63.50 61.24 2k2b n PRO 16 Cb 0.46 -1.56 -0.08 0.00 -0.02 0.00 0.00 33.50 32.29 2k2b n PRO 16 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2k2b n SER 17 N 3.90 1.90 -0.33 2.55 7.64 -1.26 -2.52 113.62 125.50 2k2b n SER 17 Ca 0.00 0.33 -0.01 0.00 1.01 0.00 0.00 58.87 60.20 2k2b n SER 17 Cb 0.00 -0.77 0.16 0.00 -1.01 0.00 0.00 64.21 62.58 2k2b n SER 17 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2k2b h GLU 18 N -0.97 1.21 0.54 1.43 9.09 -1.90 -1.35 114.58 122.64 2k2b h GLU 18 Ca -0.49 -0.07 -0.02 0.00 0.05 0.00 0.00 59.36 58.83 2k2b h GLU 18 Cb 1.42 -0.27 -0.00 0.00 -1.65 0.00 0.00 28.75 28.24 2k2b h GLU 18 CO -0.30 0.80 -0.32 1.88 0.05 0.00 0.00 179.01 181.12 2k2b h TYR 19 N 1.25 -0.84 -0.15 2.06 0.05 -1.86 0.59 116.97 118.06 2k2b h TYR 19 Ca 0.34 -0.01 0.04 0.00 0.05 0.00 0.00 58.73 59.16 2k2b h TYR 19 Cb -0.13 0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.90 2k2b h TYR 19 CO -0.00 -0.50 0.17 1.98 -1.05 0.00 0.00 178.16 178.76 2k2b h MET 20 N -0.82 0.00 -0.01 4.88 4.05 -1.39 0.67 114.93 122.32 2k2b h MET 20 Ca -0.07 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 2k2b h MET 20 Cb 0.66 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.46 2k2b h MET 20 CO 0.08 0.00 -0.53 0.43 0.23 0.00 0.00 176.91 177.12 2k2b n SER 21 N -3.82 1.22 -0.04 1.39 7.64 -0.52 -4.31 113.62 115.18 2k2b n SER 21 Ca 0.01 -0.98 -0.01 0.00 1.01 0.00 0.00 58.87 58.90 2k2b n SER 21 Cb 0.29 0.44 -0.11 0.00 -1.01 0.00 0.00 64.21 63.82 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 -0.81 1.27 -4.45 1.43 7.27 0.20 -4.88 117.38 117.41 2k2b n GLN 22 Ca 0.08 -0.06 -0.21 0.00 0.07 0.00 0.00 57.00 56.88 2k2b n GLN 22 Cb 0.38 -1.34 -0.14 0.00 2.41 0.00 0.00 30.24 31.55 2k2b n GLN 22 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2k2b s VAL 23 N -2.59 1.19 0.15 1.69 0.11 0.04 -4.34 120.40 116.64 2k2b s VAL 23 Ca -0.06 -0.95 -0.02 0.00 -2.93 0.00 0.00 61.98 58.02 2k2b s VAL 23 Cb 0.06 -1.06 -0.04 0.00 -1.53 0.00 0.00 36.38 33.82 2k2b s VAL 23 CO 0.56 0.10 0.10 -0.47 -3.33 0.00 0.00 175.10 172.05 2k2b s TYR 24 N -0.74 0.87 0.00 1.54 5.04 -1.26 -4.58 117.35 118.23 2k2b s TYR 24 Ca 0.03 -1.21 0.00 0.00 -2.44 0.00 0.00 57.07 53.45 2k2b s TYR 24 Cb -0.07 -0.45 0.00 0.00 0.35 0.00 0.00 41.96 41.79 2k2b s TYR 24 CO 0.01 -0.57 0.00 0.41 -1.34 0.00 0.00 175.55 174.06 2k2b n GLY 25 N -0.14 -0.57 3.66 8.97 0.00 -1.26 0.14 105.19 115.98 2k2b n GLY 25 Ca -0.04 0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 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 -4.00 6.64 0.14 1.61 1.01 -1.26 -4.93 116.67 115.87 2k2b s ASP 26 Ca 0.00 0.77 -0.27 0.00 0.71 0.00 0.00 52.55 53.76 2k2b s ASP 26 Cb 0.00 -2.33 -0.06 0.00 1.01 0.00 0.00 42.92 41.54 2k2b s ASP 26 CO 0.00 -0.25 1.45 -2.65 0.21 0.00 0.00 175.17 173.93 2k2b n PRO 27 N 5.01 -0.38 0.21 8.23 -0.02 -1.26 -0.22 135.00 146.57 2k2b n PRO 27 Ca -0.02 1.42 0.05 0.00 -2.02 0.00 0.00 63.50 62.92 2k2b n PRO 27 Cb 0.50 -2.09 0.47 0.00 -0.02 0.00 0.00 33.50 32.36 2k2b n PRO 27 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2k2b h LEU 28 N 0.00 0.01 0.35 2.45 -0.00 -1.98 -1.99 115.31 114.15 2k2b h LEU 28 Ca 0.14 -0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.00 2k2b h LEU 28 Cb 0.35 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.01 2k2b h LEU 28 CO -0.81 0.23 -0.17 0.00 -0.00 0.00 0.00 178.44 177.69 2k2b h ALA 29 N 1.77 -0.91 0.00 1.53 0.00 -0.92 -1.09 119.26 119.64 2k2b h ALA 29 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2k2b h ALA 29 Cb 0.38 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2k2b h ALA 29 CO 0.03 -0.88 0.00 0.10 0.00 0.00 0.00 179.25 178.50 2k2b h TYR 30 N -0.56 0.00 0.53 0.00 -0.00 -1.53 -0.33 116.97 115.08 2k2b h TYR 30 Ca -0.05 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.66 2k2b h TYR 30 Cb 0.36 0.00 0.01 0.00 0.00 0.00 0.00 36.73 37.09 2k2b h TYR 30 CO 0.10 0.00 -0.25 1.25 -0.00 0.00 0.00 178.16 179.26 2k2b h LEU 31 N 0.00 -0.60 -0.89 0.10 5.85 -1.33 -1.36 115.31 117.09 2k2b h LEU 31 Ca 0.00 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2k2b h LEU 31 Cb 0.48 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 2k2b h LEU 31 CO 0.00 -0.30 0.53 1.56 -0.34 0.00 0.00 178.44 179.89 2k2b h GLN 32 N -0.89 1.21 -0.00 1.25 4.20 -0.90 -0.53 115.11 119.45 2k2b h GLN 32 Ca -0.07 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.53 2k2b h GLN 32 Cb 0.61 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 2k2b h GLN 32 CO 0.12 0.85 -0.02 1.49 -0.67 0.00 0.00 178.83 180.60 2k2b h GLU 33 N 1.23 -0.03 -0.23 1.46 4.81 -1.05 0.81 114.58 121.58 2k2b h GLU 33 Ca 0.32 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.50 2k2b h GLU 33 Cb -0.04 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2k2b h GLU 33 CO -0.06 -0.02 -0.08 1.79 -0.73 0.00 0.00 179.01 179.91 2k2b h THR 34 N -0.03 1.19 0.00 0.32 1.35 -1.24 -1.14 112.91 113.36 2k2b h THR 34 Ca 0.00 -0.81 -0.06 0.00 -0.55 0.00 0.00 66.41 64.99 2k2b h THR 34 Cb 0.03 1.11 -0.01 0.00 -1.73 0.00 0.00 68.15 67.55 2k2b h THR 34 CO -0.02 0.26 -0.30 0.74 -0.25 0.00 0.00 175.52 175.96 2k2b h THR 35 N 0.35 1.17 0.00 6.82 2.02 -1.01 -3.32 112.91 118.93 2k2b h THR 35 Ca 0.07 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.22 2k2b h THR 35 Cb 0.37 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 2k2b h THR 35 CO 0.02 0.29 0.00 0.29 0.37 0.00 0.00 175.52 176.49 2k2b n LYS 36 N -4.12 0.00 -0.65 6.66 5.02 0.27 -5.06 118.16 120.28 2k2b n LYS 36 Ca -0.02 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 2k2b n LYS 36 Cb 0.35 -0.88 0.00 0.00 -0.02 0.00 0.00 35.03 34.48 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 -1.30 0.00 0.01 2.13 7.35 -0.58 -5.06 117.46 120.01 2k2b n PHE 37 Ca 0.00 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.71 2k2b n PHE 37 Cb 0.00 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 39.80 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 0.59 0.00 -3.82 -2.13 0.31 -1.26 -4.35 118.33 107.67 2k2b n VAL 38 Ca 0.00 -0.11 -0.30 0.00 -0.01 0.00 0.00 64.34 63.92 2k2b n VAL 38 Cb 0.00 0.48 -0.14 0.00 -0.91 0.00 0.00 33.84 33.26 2k2b n VAL 38 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2k2b s THR 39 N -2.15 1.53 -0.16 2.52 2.01 -1.26 -4.54 115.64 113.59 2k2b s THR 39 Ca -0.01 -2.13 -0.09 0.00 0.31 0.00 0.00 61.69 59.77 2k2b s THR 39 Cb 0.02 -2.12 0.05 0.00 0.01 0.00 0.00 72.50 70.47 2k2b s THR 39 CO 0.14 -0.73 0.39 -1.61 -0.69 0.00 0.00 174.62 172.13 2k2b s GLU 40 N 0.92 0.38 0.41 4.92 2.02 -1.26 -5.02 118.70 121.07 2k2b s GLU 40 Ca 0.13 0.72 0.12 0.00 0.02 0.00 0.00 54.97 55.96 2k2b s GLU 40 Cb -0.20 -0.00 0.95 0.00 0.10 0.00 0.00 34.13 34.98 2k2b s GLU 40 CO -0.12 -0.14 1.94 -0.09 0.02 0.00 0.00 175.26 176.87 2k2b h ARG 41 N 6.90 0.50 -0.89 1.61 2.43 -1.98 -0.37 114.38 122.57 2k2b h ARG 41 Ca -0.36 -0.03 0.15 0.00 -0.81 0.00 0.00 59.98 58.93 2k2b h ARG 41 Cb 1.18 -0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 30.55 2k2b h ARG 41 CO 0.30 0.33 0.58 0.93 -1.51 0.00 0.00 179.97 180.60 2k2b h GLU 42 N 0.52 0.66 -0.04 0.20 5.08 -1.95 0.64 114.58 119.69 2k2b h GLU 42 Ca 0.33 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.66 2k2b h GLU 42 Cb 0.60 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2k2b h GLU 42 CO -0.11 0.44 -0.00 1.88 -1.00 0.00 0.00 179.01 180.22 2k2b h TYR 43 N 0.68 -0.00 0.00 4.33 0.05 -1.29 -2.10 116.97 118.64 2k2b h TYR 43 Ca 0.45 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.23 2k2b h TYR 43 Cb 0.74 0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.49 2k2b h TYR 43 CO -0.00 -0.00 0.00 0.66 -1.05 0.00 0.00 178.16 177.76 2k2b n TYR 44 N -5.10 0.80 -0.38 4.88 4.02 0.36 -2.85 117.16 118.89 2k2b n TYR 44 Ca -0.06 0.31 -0.10 0.00 -0.01 0.00 0.00 57.90 58.04 2k2b n TYR 44 Cb 0.04 -1.01 0.15 0.00 -0.02 0.00 0.00 39.34 38.51 2k2b n TYR 44 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2k2b n GLU 45 N -2.23 2.25 -2.36 -0.72 1.02 0.20 -4.35 120.64 114.45 2k2b n GLU 45 Ca 0.02 -1.97 -0.18 0.00 -0.02 0.00 0.00 57.16 55.01 2k2b n GLU 45 Cb 0.23 -1.82 -0.01 0.00 -0.02 0.00 0.00 31.44 29.82 2k2b n GLU 45 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2k2b n ASP 46 N -0.31 -5.34 -0.08 1.62 8.00 -1.13 -4.88 116.55 114.42 2k2b n ASP 46 Ca 0.33 -0.02 0.10 0.00 0.71 0.00 0.00 54.79 55.92 2k2b n ASP 46 Cb 1.16 -4.40 -0.05 0.00 -0.02 0.00 0.00 41.12 37.82 2k2b n ASP 46 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2k2b n PHE 47 N -4.02 0.00 0.00 1.24 3.72 -0.84 -4.98 117.46 112.57 2k2b n PHE 47 Ca -0.22 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 2k2b n PHE 47 Cb 0.67 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.17 2k2b n PHE 47 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k2b n GLY 48 N 1.48 1.77 3.56 1.37 0.00 -1.26 -4.83 105.19 107.29 2k2b n GLY 48 Ca 0.05 0.28 -0.06 0.00 0.00 0.00 0.00 46.02 46.30 2k2b n GLY 48 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2k2b s TYR 49 N 0.00 -0.23 0.98 1.61 -0.85 -1.26 -4.52 117.35 113.09 2k2b s TYR 49 Ca 0.00 0.13 -0.17 0.00 -0.52 0.00 0.00 57.07 56.51 2k2b s TYR 49 Cb 0.00 0.53 0.23 0.00 0.38 0.00 0.00 41.96 43.10 2k2b s TYR 49 CO 0.00 -0.38 1.25 0.41 -1.52 0.00 0.00 175.55 175.30 2k2b n GLY 50 N -0.19 -1.69 0.43 5.49 0.00 -1.26 -4.33 105.19 103.64 2k2b n GLY 50 Ca -0.04 -1.68 -0.12 0.00 0.00 0.00 0.00 46.02 44.18 2k2b n GLY 50 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2k2b h GLU 51 N 0.00 -0.34 -0.69 1.61 5.08 -0.52 1.00 114.58 120.71 2k2b h GLU 51 Ca -0.41 0.02 0.20 0.00 -1.00 0.00 0.00 59.36 58.17 2k2b h GLU 51 Cb 1.15 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 2k2b h GLU 51 CO 0.29 -0.23 0.56 0.00 -1.00 0.00 0.00 179.01 178.63 2k2b n PHE 53 N -4.06 0.22 -2.54 0.00 -0.00 -0.40 -4.55 117.46 106.13 2k2b n PHE 53 Ca 0.14 0.06 -0.28 0.00 -0.00 0.00 0.00 57.45 57.37 2k2b n PHE 53 Cb 0.82 -0.54 0.00 0.00 -0.00 0.00 0.00 39.48 39.76 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 -4.49 6.26 0.00 -2.13 2.47 0.80 -4.97 114.94 112.88 2k2b s ASN 54 Ca -0.04 0.99 0.16 0.00 0.42 0.00 0.00 52.86 54.39 2k2b s ASN 54 Cb 0.13 -2.28 0.80 0.00 -1.45 0.00 0.00 41.25 38.45 2k2b s ASN 54 CO 0.87 -0.61 1.53 -0.24 -3.72 0.00 0.00 177.10 174.93 2k2b n SER 55 N -2.31 0.50 -3.75 -4.21 2.88 -1.26 -4.77 113.62 100.70 2k2b n SER 55 Ca 0.01 -1.62 -0.12 0.00 -1.33 0.00 0.00 58.87 55.81 2k2b n SER 55 Cb 0.55 -0.04 -0.11 0.00 -0.75 0.00 0.00 64.21 63.86 2k2b n SER 55 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2k2b s THR 56 N -1.92 -0.01 0.30 2.46 2.01 -1.26 -5.18 115.64 112.05 2k2b s THR 56 Ca 0.24 0.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.24 2k2b s THR 56 Cb 0.12 -0.47 -0.01 0.00 0.01 0.00 0.00 72.50 72.15 2k2b s THR 56 CO 0.19 0.01 0.41 -1.83 -0.69 0.00 0.00 174.62 172.71 2k2b s GLU 57 N 0.49 1.73 -0.23 4.92 1.03 -1.26 -4.69 118.70 120.69 2k2b s GLU 57 Ca -0.03 -1.66 -0.16 0.00 0.03 0.00 0.00 54.97 53.15 2k2b s GLU 57 Cb -0.04 0.42 -0.17 0.00 -0.80 0.00 0.00 34.13 33.54 2k2b s GLU 57 CO -0.03 -0.70 -0.03 0.45 -1.33 0.00 0.00 175.26 173.63 2k2b n SER 58 N -1.06 1.93 -3.19 0.83 2.88 -1.26 -5.06 113.62 108.69 2k2b n SER 58 Ca 0.01 0.33 -0.19 0.00 -1.33 0.00 0.00 58.87 57.69 2k2b n SER 58 Cb 0.62 -0.86 -0.06 0.00 -0.75 0.00 0.00 64.21 63.16 2k2b n SER 58 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2k2b n GLU 59 N -4.20 0.47 0.26 -1.46 1.02 -1.26 -5.04 120.64 110.43 2k2b n GLU 59 Ca -0.42 -2.92 0.11 0.00 -0.02 0.00 0.00 57.16 53.91 2k2b n GLU 59 Cb 0.82 2.03 0.70 0.00 -0.02 0.00 0.00 31.44 34.97 2k2b n GLU 59 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2k2b h VAL 60 N 1.77 0.76 -3.09 2.62 2.07 -2.00 -3.43 116.25 114.95 2k2b h VAL 60 Ca -0.23 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 66.92 2k2b h VAL 60 Cb 1.04 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 2k2b h VAL 60 CO 0.36 0.09 0.00 0.00 0.02 0.00 0.00 177.57 178.04 2k2b n GLN 61 N -3.98 1.96 -0.49 1.57 3.00 -1.26 -4.68 117.38 113.49 2k2b n GLN 61 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2k2b n GLN 61 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.42 2k2b n GLN 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2k2b n GLU 63 N -0.49 1.63 -3.60 0.00 4.07 -1.26 -4.90 120.64 116.09 2k2b n GLU 63 Ca 0.00 0.60 -0.17 0.00 -0.06 0.00 0.00 57.16 57.53 2k2b n GLU 63 Cb 0.00 -2.35 -0.05 0.00 -0.06 0.00 0.00 31.44 28.98 2k2b n GLU 63 CO 0.00 0.00 0.00 1.47 -0.06 0.00 0.00 177.13 178.54 2k2b n LEU 64 N 5.75 0.00 -1.86 4.31 -0.00 -1.26 -4.67 117.00 119.27 2k2b n LEU 64 Ca 0.24 -2.09 -0.07 0.00 -0.00 0.00 0.00 56.01 54.09 2k2b n LEU 64 Cb 0.21 0.73 -0.02 0.00 -0.00 0.00 0.00 43.42 44.34 2k2b n LEU 64 CO 0.76 -0.33 -0.08 2.30 -0.00 0.00 0.00 177.39 180.05 2k2b n ILE 65 N -0.60 -0.17 -0.08 1.47 -5.35 -1.26 -4.82 119.36 108.55 2k2b n ILE 65 Ca -0.03 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.35 2k2b n ILE 65 Cb 0.41 -0.83 -0.05 0.00 -1.74 0.00 0.00 39.64 37.43 2k2b n ILE 65 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 2k2b h THR 66 N 0.00 0.28 0.00 7.28 1.35 -1.90 -3.49 112.91 116.43 2k2b h THR 66 Ca -0.15 -1.36 0.00 0.00 -0.55 0.00 0.00 66.41 64.35 2k2b h THR 66 Cb 0.80 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 2k2b h THR 66 CO 0.20 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 176.18 2k2b n GLY 67 N 1.56 -1.28 2.39 5.82 0.00 -1.26 -4.61 105.19 107.81 2k2b n GLY 67 Ca -0.15 0.87 -0.20 0.00 0.00 0.00 0.00 46.02 46.54 2k2b n GLY 67 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k2b n GLU 68 N 0.00 -1.60 0.27 1.61 -0.58 -1.26 -3.93 120.64 115.15 2k2b n GLU 68 Ca 0.00 0.98 0.18 0.00 -0.42 0.00 0.00 57.16 57.90 2k2b n GLU 68 Cb 0.00 -5.59 0.75 0.00 -0.57 0.00 0.00 31.44 26.02 2k2b n GLU 68 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2k2b h PHE 69 N 0.00 0.00 -3.11 -0.32 -0.00 -1.96 -3.34 116.94 108.21 2k2b h PHE 69 Ca -0.48 0.00 -0.44 0.00 -0.00 0.00 0.00 57.97 57.06 2k2b h PHE 69 Cb 1.35 0.00 0.22 0.00 -0.00 0.00 0.00 35.95 37.52 2k2b h PHE 69 CO 0.54 0.00 -0.10 -0.25 -0.00 0.00 0.00 178.31 178.50 2k2b n ASP 70 N -2.98 -1.86 0.09 -0.68 9.92 -1.26 -4.82 116.55 114.95 2k2b n ASP 70 Ca 0.00 -0.18 0.03 0.00 -0.53 0.00 0.00 54.79 54.11 2k2b n ASP 70 Cb 0.26 -1.23 0.18 0.00 -0.64 0.00 0.00 41.12 39.68 2k2b n ASP 70 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 2k2b n PRO 71 N -4.80 0.05 0.00 -0.24 -0.02 -1.26 -3.74 135.00 124.98 2k2b n PRO 71 Ca 0.02 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 2k2b n PRO 71 Cb 0.55 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 2k2b n PRO 71 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2k2b n LYS 72 N -1.68 0.00 -0.01 -0.52 4.76 -1.26 -4.40 118.16 115.05 2k2b n LYS 72 Ca -0.00 0.46 0.06 0.00 -2.87 0.00 0.00 58.31 55.95 2k2b n LYS 72 Cb 0.30 -1.14 -0.09 0.00 -1.84 0.00 0.00 35.03 32.26 2k2b n LYS 72 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2k2b n LEU 73 N -1.32 0.00 -4.63 -0.35 -0.00 -1.25 -4.98 117.00 104.48 2k2b n LEU 73 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.59 2k2b n LEU 73 Cb 0.00 0.01 -0.03 0.00 -0.00 0.00 0.00 43.42 43.40 2k2b n LEU 73 CO 0.00 0.01 1.67 -0.22 -0.00 0.00 0.00 177.39 178.85 2k2b s LEU 74 N -3.84 4.01 0.79 -1.96 0.20 -1.25 -4.96 118.68 111.67 2k2b s LEU 74 Ca -0.04 2.27 -0.14 0.00 0.69 0.00 0.00 54.13 56.91 2k2b s LEU 74 Cb 0.08 -3.52 0.06 0.00 -0.43 0.00 0.00 46.19 42.38 2k2b s LEU 74 CO 0.49 -1.41 1.14 -2.65 -0.29 0.00 0.00 176.35 173.63 2k2b n PRO 75 N 8.01 0.27 -3.90 0.98 -0.02 -1.26 -4.96 135.00 134.12 2k2b n PRO 75 Ca 0.23 0.16 -0.33 0.00 -2.02 0.00 0.00 63.50 61.55 2k2b n PRO 75 Cb 0.43 -2.39 -0.13 0.00 -0.02 0.00 0.00 33.50 31.39 2k2b n PRO 75 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 2k2b s TYR 76 N -2.04 3.62 -0.54 6.00 1.13 -1.26 -4.81 117.35 119.45 2k2b s TYR 76 Ca 0.73 -2.78 -0.18 0.00 -1.41 0.00 0.00 57.07 53.43 2k2b s TYR 76 Cb -0.30 -3.05 0.09 0.00 -1.10 0.00 0.00 41.96 37.59 2k2b s TYR 76 CO 0.51 -0.93 0.60 -0.51 -2.51 0.00 0.00 175.55 172.71 2k2b s ASP 77 N 1.13 6.19 0.01 -0.18 1.01 -1.26 -4.95 116.67 118.62 2k2b s ASP 77 Ca 0.11 -1.30 -0.01 0.00 0.71 0.00 0.00 52.55 52.05 2k2b s ASP 77 Cb -0.21 -2.27 -0.00 0.00 1.01 0.00 0.00 42.92 41.45 2k2b s ASP 77 CO -0.05 -0.94 0.12 1.17 0.21 0.00 0.00 175.17 175.67 2k2b n LYS 78 N 5.96 -0.02 -0.08 8.23 3.00 -1.26 0.82 118.16 134.81 2k2b n LYS 78 Ca -0.10 0.12 -0.15 0.00 -0.00 0.00 0.00 58.31 58.18 2k2b n LYS 78 Cb 0.43 -0.17 -0.05 0.00 0.00 0.00 0.00 35.03 35.24 2k2b n LYS 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k2b h ARG 79 N 0.00 0.78 -0.38 1.64 3.08 -2.00 -2.34 114.38 115.17 2k2b h ARG 79 Ca 0.01 -0.49 -0.04 0.00 0.07 0.00 0.00 59.98 59.53 2k2b h ARG 79 Cb 0.02 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 2k2b h ARG 79 CO -0.04 1.11 0.07 -0.07 -1.07 0.00 0.00 179.97 179.97 2k2b h LEU 80 N 0.53 0.59 -0.65 3.04 -0.00 0.04 -2.51 115.31 116.34 2k2b h LEU 80 Ca 0.02 -0.25 0.01 0.00 -0.00 0.00 0.00 57.88 57.66 2k2b h LEU 80 Cb 1.07 -0.16 -0.04 0.00 -0.00 0.00 0.00 40.66 41.53 2k2b h LEU 80 CO 0.10 0.69 0.42 0.00 -0.00 0.00 0.00 178.44 179.66 2k2b h ALA 81 N 0.92 0.84 0.24 1.53 0.00 -0.60 -0.74 119.26 121.45 2k2b h ALA 81 Ca 0.12 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2k2b h ALA 81 Cb 0.34 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2k2b h ALA 81 CO 0.00 0.22 -0.32 2.35 0.00 0.00 0.00 179.25 181.51 2k2b h TRP 82 N 0.85 -0.87 -0.48 0.00 2.91 -1.29 -1.21 115.95 115.87 2k2b h TRP 82 Ca 0.25 0.01 -0.11 0.00 1.13 0.00 0.00 58.89 60.17 2k2b h TRP 82 Cb -0.06 0.35 -0.02 0.00 -0.51 0.00 0.00 29.16 28.92 2k2b h TRP 82 CO -0.04 -0.44 -0.13 0.45 -1.03 0.00 0.00 178.44 177.25 2k2b h HIS 83 N -0.62 1.00 0.13 2.65 3.86 -1.25 0.20 115.15 121.13 2k2b h HIS 83 Ca 0.00 -0.20 -0.01 0.00 -1.16 0.00 0.00 60.37 59.00 2k2b h HIS 83 Cb 0.59 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.82 2k2b h HIS 83 CO -0.23 0.97 -0.06 0.35 0.86 0.00 0.00 177.93 179.82 2k2b h PHE 84 N 0.81 -0.16 -0.36 2.45 3.57 -1.11 -2.13 116.94 120.00 2k2b h PHE 84 Ca 0.13 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.70 2k2b h PHE 84 Cb 0.66 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 2k2b h PHE 84 CO 0.04 0.14 0.25 0.87 -2.23 0.00 0.00 178.31 177.38 2k2b h LYS 85 N -0.46 0.16 0.62 1.11 6.56 -1.15 -2.56 116.57 120.85 2k2b h LYS 85 Ca -0.02 -0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.54 2k2b h LYS 85 Cb 0.37 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.99 2k2b h LYS 85 CO 0.03 0.10 -0.44 1.49 -2.06 0.00 0.00 179.45 178.57 2k2b h GLU 86 N 0.16 -0.98 -0.88 3.15 4.57 -0.10 0.55 114.58 121.04 2k2b h GLU 86 Ca 0.17 0.07 0.12 0.00 -1.18 0.00 0.00 59.36 58.53 2k2b h GLU 86 Cb 0.46 0.22 -0.07 0.00 -0.16 0.00 0.00 28.75 29.20 2k2b h GLU 86 CO -0.02 -0.65 0.57 0.74 -1.18 0.00 0.00 179.01 178.46 2k2b h PHE 87 N -1.01 0.87 0.00 0.92 0.04 -1.11 0.77 116.94 117.42 2k2b h PHE 87 Ca -0.08 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.67 2k2b h PHE 87 Cb 0.83 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.69 2k2b h PHE 87 CO -0.13 0.36 -0.75 0.00 -0.60 0.00 0.00 178.31 177.20 2k2b n TYR 89 N -2.89 0.00 -2.03 0.00 9.36 0.19 -3.57 117.16 118.22 2k2b n TYR 89 Ca -0.00 -0.14 -0.41 0.00 3.32 0.00 0.00 57.90 60.67 2k2b n TYR 89 Cb 0.62 -0.04 -0.02 0.00 -0.63 0.00 0.00 39.34 39.27 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 -0.37 4.28 0.00 2.98 2.36 0.26 -4.91 119.74 124.34 2k2b s LYS 90 Ca 0.03 2.31 0.00 0.00 -2.55 0.00 0.00 55.97 55.76 2k2b s LYS 90 Cb 0.03 -3.04 0.00 0.00 -1.05 0.00 0.00 37.83 33.77 2k2b s LYS 90 CO 0.00 -0.28 0.00 0.25 1.55 0.00 0.00 175.35 176.87 2k2b n THR 91 N 0.69 0.00 -2.27 3.43 -2.24 -1.26 -4.60 114.28 108.03 2k2b n THR 91 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 2k2b n THR 91 Cb 0.41 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.61 2k2b n THR 91 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2k2b s SER 92 N 1.00 6.89 -0.75 3.42 0.01 -1.26 -4.96 113.70 118.04 2k2b s SER 92 Ca 0.00 2.05 -0.23 0.00 1.31 0.00 0.00 55.95 59.08 2k2b s SER 92 Cb 0.00 -2.56 0.07 0.00 0.21 0.00 0.00 66.02 63.74 2k2b s SER 92 CO 0.00 -0.69 1.10 0.00 0.41 0.00 0.00 173.24 174.05 2k2b s ALA 93 N 2.37 3.05 -0.73 1.44 0.00 -1.26 -4.97 121.76 121.66 2k2b s ALA 93 Ca 0.62 -1.95 -0.26 0.00 0.00 0.00 0.00 51.96 50.38 2k2b s ALA 93 Cb -0.30 -4.03 -0.03 0.00 0.00 0.00 0.00 23.12 18.76 2k2b s ALA 93 CO 0.25 -2.99 1.88 -1.58 0.00 0.00 0.00 175.76 173.33 2k2b s HIS 94 N 4.24 1.74 0.00 0.00 5.65 -1.24 -4.68 115.29 120.99 2k2b s HIS 94 Ca 0.29 0.69 0.00 0.00 0.25 0.00 0.00 55.06 56.29 2k2b s HIS 94 Cb -0.12 -4.09 0.00 0.00 -1.18 0.00 0.00 32.58 27.20 2k2b s HIS 94 CO 0.06 -2.08 0.00 0.41 -0.65 0.00 0.00 174.74 172.48 2k2b n GLY 95 N 6.17 2.08 1.04 1.59 0.00 -1.26 -4.00 105.19 110.81 2k2b n GLY 95 Ca 0.28 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.97 -0.69 -0.61 2.08 -1.26 -4.82 119.36 115.03 2k2b n ILE 96 Ca 0.00 0.32 -0.06 0.00 0.56 0.00 0.00 62.75 63.57 2k2b n ILE 96 Cb 0.00 -1.57 -0.01 0.00 -0.75 0.00 0.00 39.64 37.31 2k2b n ILE 96 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 2k2b n PRO 97 N -3.39 1.36 0.00 0.38 -0.02 -1.26 -4.92 135.00 127.14 2k2b n PRO 97 Ca 0.00 -0.59 0.00 0.00 -2.02 0.00 0.00 63.50 60.89 2k2b n PRO 97 Cb 0.11 -1.30 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 2k2b n PRO 97 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 2k2b n MET 98 N 1.28 0.00 0.00 -0.52 0.00 -1.26 -0.81 117.12 115.81 2k2b n MET 98 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.84 2k2b n MET 98 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.78 2k2b n MET 98 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 2k2b n ILE 99 N 0.00 0.00 -0.17 1.12 5.41 -1.26 -3.61 119.36 120.85 2k2b n ILE 99 Ca 0.00 -0.08 -0.07 0.00 1.00 0.00 0.00 62.75 63.60 2k2b n ILE 99 Cb 0.00 0.77 0.02 0.00 -0.71 0.00 0.00 39.64 39.72 2k2b n ILE 99 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2k2b h GLY 100 N 0.00 0.71 -2.54 7.39 0.00 -1.35 -3.44 103.07 103.84 2k2b h GLY 100 Ca 0.00 -0.28 -0.34 0.00 0.00 0.00 0.00 47.33 46.71 2k2b h GLY 100 CO 0.00 0.27 -0.66 1.85 0.00 0.00 0.00 176.54 178.01 2k2b s GLU 101 N -6.06 1.25 0.02 4.80 2.12 -1.24 -5.09 118.70 114.49 2k2b s GLU 101 Ca -0.13 -1.63 -0.01 0.00 0.36 0.00 0.00 54.97 53.56 2k2b s GLU 101 Cb 0.12 -0.44 -0.04 0.00 0.26 0.00 0.00 34.13 34.03 2k2b s GLU 101 CO 0.74 -0.13 0.17 0.00 -0.54 0.00 0.00 175.26 175.50 2k2b s ALA 102 N -3.55 3.90 -0.41 6.30 0.00 -1.26 -4.34 121.76 122.40 2k2b s ALA 102 Ca 0.28 -0.82 -0.29 0.00 0.00 0.00 0.00 51.96 51.13 2k2b s ALA 102 Cb 0.06 -1.79 0.02 0.00 0.00 0.00 0.00 23.12 21.41 2k2b s ALA 102 CO 0.07 0.77 1.21 -1.25 0.00 0.00 0.00 175.76 176.56 2k2b s PRO 103 N -2.13 3.78 0.69 0.00 0.04 -1.26 -4.95 135.00 131.17 2k2b s PRO 103 Ca 0.29 0.84 -0.04 0.00 0.04 0.00 0.00 61.00 62.14 2k2b s PRO 103 Cb -0.13 -3.90 0.14 0.00 0.04 0.00 0.00 34.50 30.66 2k2b s PRO 103 CO 0.21 -1.30 0.94 1.28 0.04 0.00 0.00 177.00 178.17 2k2b n LEU 104 N 7.85 0.00 -0.34 -3.56 4.77 -1.26 -4.99 117.00 119.48 2k2b n LEU 104 Ca 0.13 -1.67 0.04 0.00 -0.03 0.00 0.00 56.01 54.48 2k2b n LEU 104 Cb 0.48 -0.64 0.22 0.00 -2.33 0.00 0.00 43.42 41.15 2k2b n LEU 104 CO 0.68 -1.03 1.25 -0.08 -1.33 0.00 0.00 177.39 176.89 2k2b h GLU 105 N 0.00 1.04 -5.97 3.23 4.81 -2.09 -3.46 114.58 112.14 2k2b h GLU 105 Ca -0.31 -0.06 -0.44 0.00 -0.13 0.00 0.00 59.36 58.42 2k2b h GLU 105 Cb 1.05 -0.24 0.04 0.00 0.63 0.00 0.00 28.75 30.23 2k2b h GLU 105 CO 0.29 0.69 -0.71 1.58 -0.73 0.00 0.00 179.01 180.14 2k2b n HIS 106 N -4.52 -2.50 -1.68 0.92 -0.00 -1.26 -4.88 115.22 101.31 2k2b n HIS 106 Ca 0.15 0.91 -0.48 0.00 -0.00 0.00 0.00 57.72 58.30 2k2b n HIS 106 Cb 0.23 -4.40 -0.05 0.00 -0.00 0.00 0.00 29.99 25.77 2k2b n HIS 106 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2k2b n HIS 107 N -4.78 2.28 -1.53 1.57 -0.00 -1.26 -4.74 115.22 106.75 2k2b n HIS 107 Ca 0.02 0.13 -0.35 0.00 -0.00 0.00 0.00 57.72 57.52 2k2b n HIS 107 Cb 0.54 -2.60 -0.10 0.00 -0.00 0.00 0.00 29.99 27.83 2k2b n HIS 107 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k2b n HIS 108 N 5.32 0.94 -2.63 1.57 8.25 -1.26 -4.90 115.22 122.50 2k2b n HIS 108 Ca 0.21 0.20 -0.41 0.00 -0.26 0.00 0.00 57.72 57.45 2k2b n HIS 108 Cb 0.28 -2.36 -0.04 0.00 1.12 0.00 0.00 29.99 28.99 2k2b n HIS 108 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2k2b s HIS 109 N 10.21 3.70 -0.05 4.41 2.46 -1.26 -4.99 115.29 129.77 2k2b s HIS 109 Ca 1.15 1.69 -0.29 0.00 0.47 0.00 0.00 55.06 58.08 2k2b s HIS 109 Cb -0.66 -3.16 -0.07 0.00 -0.13 0.00 0.00 32.58 28.56 2k2b s HIS 109 CO 0.36 -0.19 2.02 -1.01 -2.47 0.00 0.00 174.74 173.44 2k2b s HIS 110 N 0.12 1.30 -2.00 3.88 3.76 -1.26 -5.29 115.29 115.81 2k2b s HIS 110 Ca 0.49 -0.11 0.19 0.00 -0.15 0.00 0.00 55.06 55.48 2k2b s HIS 110 Cb -0.25 -4.13 1.16 0.00 1.11 0.00 0.00 32.58 30.46 2k2b s HIS 110 CO 0.31 -4.99 1.55 1.58 -0.85 0.00 0.00 174.74 172.34