#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2b h SER 2 N 0.00 0.00 -0.79 7.83 0.02 -2.00 -2.70 113.55 115.91 2k2b h SER 2 Ca 0.00 0.00 0.18 0.00 -0.84 0.00 0.00 61.79 61.13 2k2b h SER 2 Cb 0.00 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.40 2k2b h SER 2 CO 0.00 0.00 -0.05 -0.50 -1.14 0.00 0.00 176.83 175.14 2k2b h TRP 3 N 0.00 -0.15 0.28 3.45 6.55 -2.03 0.47 115.95 124.51 2k2b h TRP 3 Ca 0.00 0.06 -0.00 0.00 0.95 0.00 0.00 58.89 59.90 2k2b h TRP 3 Cb 0.27 0.19 -0.03 0.00 -0.86 0.00 0.00 29.16 28.74 2k2b h TRP 3 CO 0.00 -0.29 -0.45 0.52 -1.05 0.00 0.00 178.44 177.17 2k2b h MET 4 N 0.06 -0.75 0.00 0.49 2.86 -1.91 -2.32 114.93 113.36 2k2b h MET 4 Ca 0.42 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 58.11 2k2b h MET 4 Cb 0.74 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.57 2k2b h MET 4 CO -0.74 -0.50 0.00 -0.56 1.06 0.00 0.00 176.91 176.18 2k2b h GLN 5 N -0.77 0.00 -0.43 1.72 3.07 -1.63 -0.08 115.11 116.99 2k2b h GLN 5 Ca -0.03 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.58 2k2b h GLN 5 Cb 0.72 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.26 2k2b h GLN 5 CO -0.15 0.00 -0.22 -0.97 0.09 0.00 0.00 178.83 177.58 2k2b h ASN 6 N 0.00 0.90 0.15 0.06 -0.73 0.43 0.12 115.58 116.51 2k2b h ASN 6 Ca 0.00 -0.33 0.00 0.00 1.87 0.00 0.00 56.30 57.84 2k2b h ASN 6 Cb 0.50 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 38.84 2k2b h ASN 6 CO 0.00 1.08 -1.01 0.18 -0.37 0.00 0.00 177.43 177.31 2k2b n LEU 7 N -4.11 0.77 -0.07 0.34 4.32 -0.95 -3.64 117.00 113.66 2k2b n LEU 7 Ca 0.00 -0.30 -0.08 0.00 -0.02 0.00 0.00 56.01 55.61 2k2b n LEU 7 Cb 0.45 -0.06 -0.06 0.00 -1.62 0.00 0.00 43.42 42.14 2k2b n LEU 7 CO 0.46 0.17 -0.07 0.50 -1.22 0.00 0.00 177.39 177.23 2k2b h LYS 8 N 0.00 0.00 -0.43 3.23 1.63 -0.89 -3.36 116.57 116.74 2k2b h LYS 8 Ca 0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 2k2b h LYS 8 Cb 0.58 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.19 2k2b h LYS 8 CO 0.00 0.42 0.18 -0.91 -3.45 0.00 0.00 179.45 175.70 2k2b h ASN 9 N -1.00 0.58 -2.39 4.20 -0.26 -0.98 -3.27 115.58 112.46 2k2b h ASN 9 Ca -0.06 -0.15 -0.75 0.00 -0.56 0.00 0.00 56.30 54.78 2k2b h ASN 9 Cb 0.59 -0.15 -0.19 0.00 -1.06 0.00 0.00 38.32 37.51 2k2b h ASN 9 CO -0.04 0.58 1.21 -0.47 -1.06 0.00 0.00 177.43 177.65 2k2b s TYR 10 N -5.61 3.62 0.00 1.19 5.04 -1.24 -4.84 117.35 115.51 2k2b s TYR 10 Ca -0.13 -2.21 0.00 0.00 -2.44 0.00 0.00 57.07 52.29 2k2b s TYR 10 Cb 0.11 -4.24 0.00 0.00 0.35 0.00 0.00 41.96 38.17 2k2b s TYR 10 CO 0.76 -1.33 0.00 0.94 -1.34 0.00 0.00 175.55 174.58 2k2b n GLN 11 N 5.21 0.00 -3.70 4.97 -0.06 -1.24 -4.61 117.38 117.95 2k2b n GLN 11 Ca 0.35 0.00 -0.33 0.00 -2.00 0.00 0.00 57.00 55.02 2k2b n GLN 11 Cb 0.42 -0.07 0.04 0.00 -4.06 0.00 0.00 30.24 26.57 2k2b n GLN 11 CO 0.00 0.00 0.00 1.58 -0.20 0.00 0.00 177.06 178.44 2k2b n HIS 12 N -0.70 -1.88 -3.34 3.69 -0.00 -1.26 -3.30 115.22 108.44 2k2b n HIS 12 Ca 0.00 0.42 -0.17 0.00 -0.00 0.00 0.00 57.72 57.97 2k2b n HIS 12 Cb 0.00 -3.40 0.06 0.00 -0.00 0.00 0.00 29.99 26.65 2k2b n HIS 12 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2k2b n LEU 13 N -4.24 -5.07 0.00 0.27 4.77 -1.26 -5.03 117.00 106.44 2k2b n LEU 13 Ca -0.09 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 2k2b n LEU 13 Cb 0.59 -3.01 0.00 0.00 -2.33 0.00 0.00 43.42 38.67 2k2b n LEU 13 CO 0.68 0.06 0.00 -1.14 -1.33 0.00 0.00 177.39 175.65 2k2b n ARG 14 N -3.28 1.53 -2.38 3.23 0.63 -1.21 -5.07 116.66 110.12 2k2b n ARG 14 Ca -0.07 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.44 2k2b n ARG 14 Cb 0.60 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.48 2k2b n ARG 14 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2k2b s ASP 15 N -0.95 7.01 0.00 6.15 1.01 -1.26 -4.93 116.67 123.70 2k2b s ASP 15 Ca 0.00 1.98 0.29 0.00 0.71 0.00 0.00 52.55 55.53 2k2b s ASP 15 Cb 0.00 -2.57 1.55 0.00 1.01 0.00 0.00 42.92 42.91 2k2b s ASP 15 CO 0.00 -0.58 2.02 -0.81 0.21 0.00 0.00 175.17 176.01 2k2b n PRO 16 N 4.71 1.22 0.14 8.23 -0.04 -1.26 -4.21 135.00 143.80 2k2b n PRO 16 Ca 0.11 -0.33 -0.13 0.00 -0.04 0.00 0.00 63.50 63.11 2k2b n PRO 16 Cb 0.45 -1.47 -0.06 0.00 -0.04 0.00 0.00 33.50 32.38 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 0.78 -0.66 -0.97 3.54 0.02 -1.99 0.38 113.55 114.65 2k2b h SER 17 Ca 0.00 0.07 0.04 0.00 -0.84 0.00 0.00 61.79 61.06 2k2b h SER 17 Cb 0.17 0.24 -0.06 0.00 0.14 0.00 0.00 62.40 62.89 2k2b h SER 17 CO 0.00 -0.34 0.63 -0.33 -1.14 0.00 0.00 176.83 175.65 2k2b h GLU 18 N -0.48 1.17 -0.66 3.45 3.07 -1.99 -1.96 114.58 117.19 2k2b h GLU 18 Ca 0.01 -0.07 0.02 0.00 -0.50 0.00 0.00 59.36 58.82 2k2b h GLU 18 Cb 0.47 -0.26 -0.04 0.00 -0.84 0.00 0.00 28.75 28.08 2k2b h GLU 18 CO -0.09 0.77 0.42 1.88 -1.40 0.00 0.00 179.01 180.59 2k2b h TYR 19 N 1.20 0.78 -0.86 4.33 -1.99 -1.66 0.53 116.97 119.31 2k2b h TYR 19 Ca 0.39 0.02 0.12 0.00 2.00 0.00 0.00 58.73 61.26 2k2b h TYR 19 Cb 0.04 -0.26 -0.06 0.00 2.00 0.00 0.00 36.73 38.45 2k2b h TYR 19 CO -0.00 0.46 0.55 1.98 -0.00 0.00 0.00 178.16 181.15 2k2b h MET 20 N 0.82 0.70 0.00 4.88 4.05 -0.22 0.01 114.93 125.17 2k2b h MET 20 Ca 0.26 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.64 2k2b h MET 20 Cb -0.01 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 30.64 2k2b h MET 20 CO -0.09 0.47 -0.35 0.45 0.23 0.00 0.00 176.91 177.62 2k2b n SER 21 N -4.54 0.40 -0.11 1.39 2.88 -0.12 -3.84 113.62 109.68 2k2b n SER 21 Ca 0.16 0.07 -0.12 0.00 -1.33 0.00 0.00 58.87 57.65 2k2b n SER 21 Cb 0.40 -0.04 -0.03 0.00 -0.75 0.00 0.00 64.21 63.79 2k2b n SER 21 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2k2b h GLN 22 N 0.00 0.68 -6.09 -1.46 1.08 0.20 -3.44 115.11 106.08 2k2b h GLN 22 Ca 0.00 -0.28 -0.60 0.00 -1.45 0.00 0.00 58.65 56.32 2k2b h GLN 22 Cb 0.55 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.91 2k2b h GLN 22 CO 0.00 0.87 -0.22 0.54 -0.95 0.00 0.00 178.83 179.07 2k2b s VAL 23 N -4.67 5.06 0.03 -0.54 0.11 -1.12 -3.71 120.40 115.56 2k2b s VAL 23 Ca -0.13 0.61 0.09 0.00 -2.93 0.00 0.00 61.98 59.62 2k2b s VAL 23 Cb 0.09 -3.67 -0.22 0.00 -1.53 0.00 0.00 36.38 31.05 2k2b s VAL 23 CO 0.81 0.39 0.94 0.22 -3.33 0.00 0.00 175.10 174.12 2k2b h TYR 24 N 4.05 0.03 0.00 1.54 3.20 -1.86 -3.46 116.97 120.48 2k2b h TYR 24 Ca -0.50 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.35 2k2b h TYR 24 Cb 1.20 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.47 2k2b h TYR 24 CO 0.68 1.03 0.00 0.41 -1.64 0.00 0.00 178.16 178.64 2k2b n GLY 25 N 1.48 0.15 3.59 1.82 0.00 -1.26 -4.88 105.19 106.09 2k2b n GLY 25 Ca -0.10 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.19 5.70 0.25 1.61 1.01 -1.06 -4.85 116.67 118.14 2k2b s ASP 26 Ca 0.00 1.06 0.17 0.00 0.71 0.00 0.00 52.55 54.48 2k2b s ASP 26 Cb 0.00 -2.53 0.90 0.00 1.01 0.00 0.00 42.92 42.31 2k2b s ASP 26 CO 0.00 -1.90 1.51 -2.65 0.21 0.00 0.00 175.17 172.34 2k2b n PRO 27 N 8.61 0.11 -0.30 8.23 -0.02 -1.26 -2.32 135.00 148.05 2k2b n PRO 27 Ca 0.23 0.60 0.02 0.00 -2.02 0.00 0.00 63.50 62.33 2k2b n PRO 27 Cb 0.48 -1.85 0.15 0.00 -0.02 0.00 0.00 33.50 32.26 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 0.74 -0.21 2.45 -0.00 -1.93 -0.19 115.31 116.18 2k2b h LEU 28 Ca 0.00 0.03 -0.02 0.00 -0.00 0.00 0.00 57.88 57.89 2k2b h LEU 28 Cb 0.00 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 40.54 2k2b h LEU 28 CO 0.00 0.45 0.06 0.00 -0.00 0.00 0.00 178.44 178.96 2k2b h ALA 29 N 1.42 0.27 -0.22 1.53 0.00 -1.78 -2.17 119.26 118.32 2k2b h ALA 29 Ca 0.38 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 2k2b h ALA 29 Cb 0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2k2b h ALA 29 CO -0.21 -0.10 -0.16 -0.92 0.00 0.00 0.00 179.25 177.86 2k2b h TYR 30 N 0.16 0.40 -0.36 0.00 5.03 -1.61 0.11 116.97 120.70 2k2b h TYR 30 Ca 0.07 -0.06 0.01 0.00 2.58 0.00 0.00 58.73 61.32 2k2b h TYR 30 Cb 0.23 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 38.39 2k2b h TYR 30 CO 0.00 0.52 0.23 1.25 -1.32 0.00 0.00 178.16 178.84 2k2b h LEU 31 N 0.34 0.39 -0.83 2.82 5.85 -0.90 0.38 115.31 123.37 2k2b h LEU 31 Ca 0.06 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.66 2k2b h LEU 31 Cb 0.49 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2k2b h LEU 31 CO 0.03 0.28 -0.43 1.56 -0.34 0.00 0.00 178.44 179.54 2k2b h GLN 32 N 0.47 0.33 0.00 1.25 1.08 -0.68 -2.42 115.11 115.14 2k2b h GLN 32 Ca 0.13 -0.17 -0.08 0.00 -1.45 0.00 0.00 58.65 57.08 2k2b h GLN 32 Cb -0.04 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 2k2b h GLN 32 CO -0.04 0.71 -0.38 1.05 -0.95 0.00 0.00 178.83 179.23 2k2b h GLU 33 N 0.27 0.00 -0.65 1.46 4.11 -0.61 0.17 114.58 119.33 2k2b h GLU 33 Ca 0.02 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.42 2k2b h GLU 33 Cb 0.88 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 2k2b h GLU 33 CO 0.07 0.38 0.29 1.15 0.07 0.00 0.00 179.01 180.97 2k2b h THR 34 N 0.00 1.23 0.03 -1.06 2.02 -0.45 0.46 112.91 115.14 2k2b h THR 34 Ca -0.00 -0.68 -0.10 0.00 0.77 0.00 0.00 66.41 66.39 2k2b h THR 34 Cb 0.98 0.47 0.01 0.00 -1.74 0.00 0.00 68.15 67.86 2k2b h THR 34 CO 0.05 0.28 -0.41 0.71 0.37 0.00 0.00 175.52 176.52 2k2b h THR 35 N 0.91 1.55 0.00 3.16 1.35 -1.26 -3.36 112.91 115.27 2k2b h THR 35 Ca 0.22 -2.16 -0.00 0.00 -0.55 0.00 0.00 66.41 63.92 2k2b h THR 35 Cb 0.16 2.92 0.00 0.00 -1.73 0.00 0.00 68.15 69.50 2k2b h THR 35 CO -0.02 0.60 -0.00 0.11 -0.25 0.00 0.00 175.52 175.95 2k2b h LYS 36 N -0.46 -0.00 0.00 4.72 1.79 -0.68 -3.47 116.57 118.46 2k2b h LYS 36 Ca -0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2k2b h LYS 36 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 2k2b h LYS 36 CO 0.08 0.24 0.00 0.34 -1.08 0.00 0.00 179.45 179.03 2k2b n PHE 37 N -4.97 0.00 0.00 -1.35 7.35 0.16 -4.78 117.46 113.87 2k2b n PHE 37 Ca -0.08 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.61 2k2b n PHE 37 Cb 0.14 -0.93 0.00 0.00 0.35 0.00 0.00 39.48 39.04 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 -2.17 0.00 -3.85 -2.13 0.31 -1.26 -4.94 118.33 104.29 2k2b n VAL 38 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 2k2b n VAL 38 Cb 0.11 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.02 2k2b n VAL 38 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2k2b s THR 39 N 0.43 0.00 0.00 2.52 -1.32 -1.26 -4.74 115.64 111.27 2k2b s THR 39 Ca 0.00 -0.98 0.00 0.00 -1.21 0.00 0.00 61.69 59.50 2k2b s THR 39 Cb 0.00 -1.97 0.00 0.00 -1.51 0.00 0.00 72.50 69.02 2k2b s THR 39 CO 0.00 -0.00 0.00 1.21 -2.21 0.00 0.00 174.62 173.62 2k2b n GLU 40 N -0.46 0.00 -0.24 7.08 4.07 -1.26 -5.04 120.64 124.80 2k2b n GLU 40 Ca -0.04 0.00 0.08 0.00 -0.06 0.00 0.00 57.16 57.14 2k2b n GLU 40 Cb 0.59 0.00 0.35 0.00 -0.06 0.00 0.00 31.44 32.32 2k2b n GLU 40 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2k2b h ARG 41 N 0.00 0.75 -0.99 5.31 3.08 -2.01 -1.72 114.38 118.80 2k2b h ARG 41 Ca 0.00 -0.04 0.26 0.00 0.07 0.00 0.00 59.98 60.27 2k2b h ARG 41 Cb 0.00 -0.17 -0.13 0.00 0.08 0.00 0.00 29.97 29.75 2k2b h ARG 41 CO 0.00 0.49 0.56 0.93 -1.07 0.00 0.00 179.97 180.88 2k2b h GLU 42 N 0.77 0.47 0.00 0.04 5.08 -1.96 0.52 114.58 119.49 2k2b h GLU 42 Ca 0.38 -0.03 -0.35 0.00 -1.00 0.00 0.00 59.36 58.36 2k2b h GLU 42 Cb 0.44 -0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.52 2k2b h GLU 42 CO -0.15 0.31 -2.24 0.66 -1.00 0.00 0.00 179.01 176.59 2k2b n TYR 43 N -4.96 0.23 1.50 4.33 4.01 -0.86 -2.94 117.16 118.47 2k2b n TYR 43 Ca 0.28 0.08 0.14 0.00 -0.16 0.00 0.00 57.90 58.24 2k2b n TYR 43 Cb 0.80 -1.04 0.66 0.00 -0.31 0.00 0.00 39.34 39.45 2k2b n TYR 43 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2k2b n TYR 44 N -2.83 0.00 -0.13 -0.72 4.02 -0.70 -3.94 117.16 112.86 2k2b n TYR 44 Ca -0.30 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.59 2k2b n TYR 44 Cb 1.13 -0.15 0.00 0.00 -0.02 0.00 0.00 39.34 40.30 2k2b n TYR 44 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2k2b n GLU 45 N -0.89 1.87 -3.78 -0.72 2.13 0.17 -3.68 120.64 115.74 2k2b n GLU 45 Ca 0.16 -0.03 -0.04 0.00 0.66 0.00 0.00 57.16 57.91 2k2b n GLU 45 Cb 0.26 -0.27 -0.01 0.00 0.27 0.00 0.00 31.44 31.68 2k2b n GLU 45 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2k2b s ASP 46 N -0.28 -0.19 0.00 4.31 -1.08 -1.15 -4.71 116.67 113.57 2k2b s ASP 46 Ca 0.00 -0.46 0.00 0.00 -0.52 0.00 0.00 52.55 51.57 2k2b s ASP 46 Cb 0.00 0.54 0.00 0.00 -1.46 0.00 0.00 42.92 42.00 2k2b s ASP 46 CO 0.00 -1.00 0.00 0.49 0.52 0.00 0.00 175.17 175.18 2k2b n PHE 47 N -0.47 0.00 0.07 -5.34 3.72 -1.26 -3.95 117.46 110.22 2k2b n PHE 47 Ca -0.06 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.39 2k2b n PHE 47 Cb 0.60 0.00 0.23 0.00 -0.94 0.00 0.00 39.48 39.38 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 0.00 -0.60 3.55 1.37 0.00 -1.25 -2.55 105.19 105.71 2k2b n GLY 48 Ca 0.00 0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 2k2b n GLY 48 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k2b s TYR 49 N -3.15 1.10 0.00 1.61 1.51 -1.26 -4.73 117.35 112.42 2k2b s TYR 49 Ca -0.01 1.78 0.00 0.00 -1.01 0.00 0.00 57.07 57.83 2k2b s TYR 49 Cb 0.02 -3.51 0.00 0.00 -0.11 0.00 0.00 41.96 38.36 2k2b s TYR 49 CO 0.08 -2.07 0.00 0.41 -1.11 0.00 0.00 175.55 172.86 2k2b n GLY 50 N 6.39 -0.34 1.61 0.71 0.00 -1.26 -4.19 105.19 108.11 2k2b n GLY 50 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 2k2b n GLY 50 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k2b n GLU 51 N -1.86 0.00 -0.05 1.61 0.00 -1.26 -4.32 120.64 114.76 2k2b n GLU 51 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.03 2k2b n GLU 51 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 31.44 31.25 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 0.59 0.26 -4.44 0.00 3.57 -1.84 -3.44 116.94 111.63 2k2b h PHE 53 Ca 0.01 -0.15 -0.49 0.00 3.53 0.00 0.00 57.97 60.87 2k2b h PHE 53 Cb 1.16 -0.03 0.09 0.00 2.79 0.00 0.00 35.95 39.97 2k2b h PHE 53 CO 0.07 0.97 0.39 1.21 -2.23 0.00 0.00 178.31 178.72 2k2b s ASN 54 N -6.91 5.10 0.25 0.41 3.84 -1.22 -4.58 114.94 111.82 2k2b s ASN 54 Ca -0.02 1.13 0.13 0.00 0.21 0.00 0.00 52.86 54.31 2k2b s ASN 54 Cb 0.10 -1.88 0.01 0.00 -0.55 0.00 0.00 41.25 38.93 2k2b s ASN 54 CO 0.83 -1.56 1.40 0.77 -2.79 0.00 0.00 177.10 175.75 2k2b h SER 55 N -0.81 0.00 -3.17 -4.21 4.64 -1.89 -3.34 113.55 104.77 2k2b h SER 55 Ca -0.46 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.41 2k2b h SER 55 Cb 1.27 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 63.48 2k2b h SER 55 CO 0.63 0.60 0.28 0.42 -0.87 0.00 0.00 176.83 177.89 2k2b s THR 56 N -2.91 2.06 0.03 2.95 -4.23 -1.26 -4.70 115.64 107.59 2k2b s THR 56 Ca 0.03 -0.27 0.01 0.00 -1.18 0.00 0.00 61.69 60.28 2k2b s THR 56 Cb 0.08 -2.79 -0.02 0.00 1.34 0.00 0.00 72.50 71.11 2k2b s THR 56 CO 0.76 0.00 -0.05 -1.83 -0.54 0.00 0.00 174.62 172.97 2k2b s GLU 57 N -5.54 0.43 0.21 3.99 -1.05 -1.26 -4.61 118.70 110.86 2k2b s GLU 57 Ca 0.70 -0.75 0.10 0.00 -0.15 0.00 0.00 54.97 54.87 2k2b s GLU 57 Cb -0.05 -0.01 -0.05 0.00 -0.44 0.00 0.00 34.13 33.59 2k2b s GLU 57 CO 0.49 -0.03 -0.19 0.45 0.95 0.00 0.00 175.26 176.94 2k2b s SER 58 N -1.72 3.02 0.00 0.83 0.15 -1.26 -5.02 113.70 109.70 2k2b s SER 58 Ca -0.11 -0.94 0.11 0.00 0.70 0.00 0.00 55.95 55.71 2k2b s SER 58 Cb -0.07 -0.21 -0.06 0.00 -1.71 0.00 0.00 66.02 63.97 2k2b s SER 58 CO -0.02 -0.02 0.57 -0.62 1.20 0.00 0.00 173.24 174.35 2k2b n GLU 59 N -0.11 2.74 -3.87 5.44 1.02 -1.26 -4.96 120.64 119.65 2k2b n GLU 59 Ca -0.10 -0.32 -0.10 0.00 -0.02 0.00 0.00 57.16 56.63 2k2b n GLU 59 Cb 0.58 -1.07 -0.08 0.00 -0.02 0.00 0.00 31.44 30.85 2k2b n GLU 59 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2k2b s VAL 60 N -1.76 0.12 -0.49 2.62 0.11 -1.26 -4.92 120.40 114.83 2k2b s VAL 60 Ca 0.07 -0.99 -0.00 0.00 -2.93 0.00 0.00 61.98 58.13 2k2b s VAL 60 Cb 0.09 -0.98 0.00 0.00 -1.53 0.00 0.00 36.38 33.96 2k2b s VAL 60 CO 0.37 -0.54 0.00 0.00 -3.33 0.00 0.00 175.10 171.59 2k2b n GLN 61 N 0.59 -2.65 -3.62 1.54 10.64 -1.26 -4.93 117.38 117.70 2k2b n GLN 61 Ca -0.18 0.27 -0.23 0.00 -1.83 0.00 0.00 57.00 55.03 2k2b n GLN 61 Cb 0.59 -4.82 -0.01 0.00 -0.86 0.00 0.00 30.24 25.14 2k2b n GLN 61 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2k2b h GLU 63 N 0.80 -0.45 -4.37 0.00 9.09 -1.92 -3.45 114.58 114.28 2k2b h GLU 63 Ca -0.38 0.03 -0.07 0.00 0.05 0.00 0.00 59.36 58.99 2k2b h GLU 63 Cb 1.28 0.10 -0.01 0.00 -1.65 0.00 0.00 28.75 28.48 2k2b h GLU 63 CO 0.55 -0.30 -0.08 -0.11 0.05 0.00 0.00 179.01 179.11 2k2b n LEU 64 N -3.58 -0.31 -3.57 3.06 7.94 -1.26 -0.98 117.00 118.30 2k2b n LEU 64 Ca -0.06 0.38 -0.25 0.00 -1.11 0.00 0.00 56.01 54.98 2k2b n LEU 64 Cb 0.20 -1.27 -0.05 0.00 0.53 0.00 0.00 43.42 42.84 2k2b n LEU 64 CO 0.13 -0.05 -0.09 2.30 -1.11 0.00 0.00 177.39 178.57 2k2b n ILE 65 N -2.58 0.00 0.20 1.96 -5.35 -1.26 -4.78 119.36 107.55 2k2b n ILE 65 Ca -0.04 0.00 0.14 0.00 -0.27 0.00 0.00 62.75 62.58 2k2b n ILE 65 Cb 0.48 -0.29 0.74 0.00 -1.74 0.00 0.00 39.64 38.84 2k2b n ILE 65 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2k2b h THR 66 N -0.50 0.75 -1.04 7.28 2.02 -1.36 -3.45 112.91 116.61 2k2b h THR 66 Ca -0.34 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.10 2k2b h THR 66 Cb 1.15 0.91 -0.27 0.00 -1.74 0.00 0.00 68.15 68.20 2k2b h THR 66 CO 0.52 0.00 0.97 -0.83 0.37 0.00 0.00 175.52 176.55 2k2b s GLY 67 N -4.05 0.06 0.00 2.16 0.00 -1.26 -4.95 107.32 99.29 2k2b s GLY 67 Ca -0.05 2.74 0.00 0.00 0.00 0.00 0.00 44.72 47.41 2k2b s GLY 67 CO 0.64 1.05 0.00 -1.84 0.00 0.00 0.00 173.10 172.95 2k2b n GLU 68 N 0.44 -1.33 0.00 2.90 -0.00 -1.26 -4.60 120.64 116.80 2k2b n GLU 68 Ca 0.01 0.16 0.11 0.00 -0.00 0.00 0.00 57.16 57.43 2k2b n GLU 68 Cb 0.59 -3.33 0.01 0.00 -0.00 0.00 0.00 31.44 28.70 2k2b n GLU 68 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2k2b n PHE 69 N -0.76 0.00 -4.24 -1.84 3.72 -1.26 -4.75 117.46 108.33 2k2b n PHE 69 Ca 0.00 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.08 2k2b n PHE 69 Cb 0.16 -0.06 -0.08 0.00 -0.94 0.00 0.00 39.48 38.56 2k2b n PHE 69 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 2k2b s ASP 70 N -2.87 5.16 0.00 4.37 -4.77 -1.26 -4.23 116.67 113.07 2k2b s ASP 70 Ca 0.12 -0.02 0.03 0.00 -3.30 0.00 0.00 52.55 49.38 2k2b s ASP 70 Cb 0.17 -1.34 0.20 0.00 -1.09 0.00 0.00 42.92 40.86 2k2b s ASP 70 CO 0.76 0.26 0.64 -2.65 0.70 0.00 0.00 175.17 174.88 2k2b n PRO 71 N 1.22 0.45 -0.09 2.11 -0.02 -1.26 -2.60 135.00 134.80 2k2b n PRO 71 Ca -0.14 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.25 2k2b n PRO 71 Cb 0.52 -1.12 -0.03 0.00 -0.02 0.00 0.00 33.50 32.85 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 -0.62 0.51 0.04 -0.52 4.81 -1.26 -4.47 118.16 116.66 2k2b n LYS 72 Ca 0.03 0.36 -0.06 0.00 -0.87 0.00 0.00 58.31 57.76 2k2b n LYS 72 Cb 0.01 -1.55 0.13 0.00 0.02 0.00 0.00 35.03 33.64 2k2b n LYS 72 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2k2b h LEU 73 N -1.00 0.44 -7.88 3.14 4.07 -1.97 -3.38 115.31 108.74 2k2b h LEU 73 Ca -0.07 -0.21 -0.73 0.00 0.08 0.00 0.00 57.88 56.95 2k2b h LEU 73 Cb 0.87 -0.12 -0.30 0.00 1.08 0.00 0.00 40.66 42.19 2k2b h LEU 73 CO -0.04 0.85 -0.33 -0.22 -1.08 0.00 0.00 178.44 177.62 2k2b s LEU 74 N -8.28 5.76 -0.57 1.67 0.20 -1.07 -4.89 118.68 111.49 2k2b s LEU 74 Ca -0.06 -2.16 -0.22 0.00 0.69 0.00 0.00 54.13 52.39 2k2b s LEU 74 Cb 0.12 -2.01 0.06 0.00 -0.43 0.00 0.00 46.19 43.93 2k2b s LEU 74 CO 0.81 -0.63 0.84 -2.16 -0.29 0.00 0.00 176.35 174.92 2k2b s PRO 75 N 0.99 3.19 0.27 0.98 0.04 -1.26 -4.45 135.00 134.75 2k2b s PRO 75 Ca 0.09 -0.68 -0.12 0.00 0.04 0.00 0.00 61.00 60.33 2k2b s PRO 75 Cb -0.23 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.18 2k2b s PRO 75 CO -0.02 -1.50 0.50 -0.47 0.04 0.00 0.00 177.00 175.55 2k2b s TYR 76 N 3.50 0.40 0.95 0.56 5.04 -1.26 -5.15 117.35 121.40 2k2b s TYR 76 Ca 0.22 -0.77 -0.13 0.00 -2.44 0.00 0.00 57.07 53.95 2k2b s TYR 76 Cb -0.17 0.22 0.03 0.00 0.35 0.00 0.00 41.96 42.39 2k2b s TYR 76 CO 0.14 -1.05 0.34 -0.25 -1.34 0.00 0.00 175.55 173.39 2k2b n ASP 77 N -0.55 -2.29 0.32 4.32 9.92 -1.26 -4.66 116.55 122.35 2k2b n ASP 77 Ca -0.02 0.32 0.21 0.00 -0.53 0.00 0.00 54.79 54.77 2k2b n ASP 77 Cb 0.62 -1.18 1.13 0.00 -0.64 0.00 0.00 41.12 41.05 2k2b n ASP 77 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2k2b h LYS 78 N -1.54 0.00 0.02 -1.24 1.57 -2.02 -2.45 116.57 110.91 2k2b h LYS 78 Ca -0.44 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.34 2k2b h LYS 78 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 2k2b h LYS 78 CO 0.34 0.00 -0.01 0.00 -0.57 0.00 0.00 179.45 179.21 2k2b h ARG 79 N 0.00 -0.03 -0.96 3.15 3.08 -1.99 0.27 114.38 117.90 2k2b h ARG 79 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.09 2k2b h ARG 79 Cb 0.03 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.03 2k2b h ARG 79 CO 0.00 -0.02 0.63 1.25 -1.07 0.00 0.00 179.97 180.76 2k2b h LEU 80 N -0.03 1.05 -0.31 3.04 5.85 -1.90 -2.03 115.31 120.97 2k2b h LEU 80 Ca -0.00 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.77 2k2b h LEU 80 Cb 0.02 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.76 2k2b h LEU 80 CO 0.01 0.72 -0.05 0.00 -0.34 0.00 0.00 178.44 178.77 2k2b h ALA 81 N 1.44 0.23 -0.95 1.25 0.00 -1.48 -2.04 119.26 117.71 2k2b h ALA 81 Ca 0.38 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.46 2k2b h ALA 81 Cb 0.00 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 2k2b h ALA 81 CO -0.12 -0.45 0.62 2.35 0.00 0.00 0.00 179.25 181.65 2k2b h TRP 82 N 0.03 1.12 0.12 0.00 7.01 0.23 0.25 115.95 124.70 2k2b h TRP 82 Ca 0.15 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.17 2k2b h TRP 82 Cb 0.22 -0.37 -0.00 0.00 -2.10 0.00 0.00 29.16 26.91 2k2b h TRP 82 CO -0.27 0.59 -0.07 0.45 -2.79 0.00 0.00 178.44 176.35 2k2b h HIS 83 N 1.10 -0.19 -0.40 2.65 3.86 -0.87 0.13 115.15 121.43 2k2b h HIS 83 Ca 0.40 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.63 2k2b h HIS 83 Cb 0.17 0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 2k2b h HIS 83 CO -0.00 -0.11 0.27 0.74 0.86 0.00 0.00 177.93 179.69 2k2b h PHE 84 N -0.18 0.45 0.50 2.45 -1.00 -1.42 -2.44 116.94 115.30 2k2b h PHE 84 Ca -0.02 0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 2k2b h PHE 84 Cb 0.14 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 39.56 2k2b h PHE 84 CO 0.09 0.27 -0.24 -0.22 -1.61 0.00 0.00 178.31 176.60 2k2b h LYS 85 N 0.47 -0.64 -0.99 1.51 3.64 -0.44 -1.46 116.57 118.65 2k2b h LYS 85 Ca 0.16 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.69 2k2b h LYS 85 Cb 0.05 0.15 -0.08 0.00 -0.41 0.00 0.00 32.23 31.94 2k2b h LYS 85 CO -0.04 -0.40 0.63 1.49 -2.27 0.00 0.00 179.45 178.87 2k2b h GLU 86 N -0.74 0.99 0.54 1.90 4.57 -0.26 0.61 114.58 122.19 2k2b h GLU 86 Ca -0.07 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.03 2k2b h GLU 86 Cb 0.55 -0.22 0.01 0.00 -0.16 0.00 0.00 28.75 28.92 2k2b h GLU 86 CO 0.11 0.65 -0.26 0.74 -1.18 0.00 0.00 179.01 179.08 2k2b h PHE 87 N 1.02 -0.67 0.00 0.92 0.04 -1.47 -3.38 116.94 113.39 2k2b h PHE 87 Ca 0.47 -0.02 -0.37 0.00 2.80 0.00 0.00 57.97 60.86 2k2b h PHE 87 Cb 0.42 0.22 -0.06 0.00 2.20 0.00 0.00 35.95 38.74 2k2b h PHE 87 CO -0.00 -0.42 -2.25 0.00 -0.60 0.00 0.00 178.31 175.04 2k2b n TYR 89 N -3.81 0.00 -1.50 0.00 9.36 0.14 -4.73 117.16 116.62 2k2b n TYR 89 Ca -0.43 0.00 -0.63 0.00 3.32 0.00 0.00 57.90 60.16 2k2b n TYR 89 Cb 0.83 0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 39.44 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 -0.61 0.12 0.21 2.98 4.81 0.17 -4.85 118.16 120.99 2k2b n LYS 90 Ca 0.05 0.04 0.10 0.00 -0.87 0.00 0.00 58.31 57.62 2k2b n LYS 90 Cb 0.02 -1.58 0.30 0.00 0.02 0.00 0.00 35.03 33.79 2k2b n LYS 90 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 2k2b h THR 91 N 6.04 0.40 -4.18 3.15 1.35 -1.89 -3.46 112.91 114.33 2k2b h THR 91 Ca -0.28 -1.29 -0.52 0.00 -0.55 0.00 0.00 66.41 63.77 2k2b h THR 91 Cb 1.39 1.97 0.13 0.00 -1.73 0.00 0.00 68.15 69.90 2k2b h THR 91 CO 1.03 0.20 0.39 -0.55 -0.25 0.00 0.00 175.52 176.34 2k2b s SER 92 N -6.20 4.73 0.95 5.36 0.15 -1.26 -5.04 113.70 112.40 2k2b s SER 92 Ca 0.03 2.20 -0.15 0.00 0.70 0.00 0.00 55.95 58.73 2k2b s SER 92 Cb 0.08 -2.57 0.20 0.00 -1.71 0.00 0.00 66.02 62.02 2k2b s SER 92 CO 0.66 -1.89 1.31 0.00 1.20 0.00 0.00 173.24 174.51 2k2b s ALA 93 N -2.10 2.35 0.14 5.45 0.00 -1.26 -4.95 121.76 121.39 2k2b s ALA 93 Ca 0.71 -1.31 -0.32 0.00 0.00 0.00 0.00 51.96 51.03 2k2b s ALA 93 Cb -0.25 -2.68 -0.12 0.00 0.00 0.00 0.00 23.12 20.07 2k2b s ALA 93 CO 0.42 -2.42 1.74 -2.39 0.00 0.00 0.00 175.76 173.11 2k2b n HIS 94 N -3.72 2.56 -1.01 0.00 1.44 -1.26 -2.57 115.22 110.66 2k2b n HIS 94 Ca 0.16 0.02 -0.00 0.00 -2.01 0.00 0.00 57.72 55.89 2k2b n HIS 94 Cb 0.59 -2.66 -0.00 0.00 0.12 0.00 0.00 29.99 28.04 2k2b n HIS 94 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2k2b n GLY 95 N 3.96 0.40 3.44 -1.39 0.00 -1.25 -4.85 105.19 105.49 2k2b n GLY 95 Ca 0.17 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 2k2b n GLY 95 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k2b s ILE 96 N -1.77 3.78 0.59 -0.61 1.01 -1.06 -4.73 121.20 118.40 2k2b s ILE 96 Ca 0.00 -0.38 -0.20 0.00 0.00 0.00 0.00 60.65 60.07 2k2b s ILE 96 Cb 0.00 -2.69 -0.03 0.00 0.01 0.00 0.00 42.46 39.75 2k2b s ILE 96 CO 0.00 0.45 1.32 -2.16 0.00 0.00 0.00 174.94 174.55 2k2b s PRO 97 N 0.83 2.91 0.00 2.79 0.04 -1.26 -4.64 135.00 135.67 2k2b s PRO 97 Ca -0.01 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.17 2k2b s PRO 97 Cb -0.14 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.32 2k2b s PRO 97 CO 0.02 -1.34 0.00 -1.33 0.04 0.00 0.00 177.00 174.39 2k2b n MET 98 N -1.40 0.00 0.09 4.56 2.81 -1.26 -4.92 117.12 117.00 2k2b n MET 98 Ca 0.13 0.00 -0.19 0.00 -1.81 0.00 0.00 57.70 55.83 2k2b n MET 98 Cb 0.47 0.00 -0.15 0.00 -0.71 0.00 0.00 33.22 32.83 2k2b n MET 98 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 2k2b h ILE 99 N 0.00 1.25 -1.69 2.02 -0.00 -1.97 -3.47 117.51 113.65 2k2b h ILE 99 Ca 0.00 -2.82 -0.43 0.00 -0.00 0.00 0.00 64.86 61.61 2k2b h ILE 99 Cb 0.00 2.86 0.03 0.00 -0.00 0.00 0.00 36.82 39.71 2k2b h ILE 99 CO 0.00 0.84 -0.18 -0.83 -0.00 0.00 0.00 178.15 177.98 2k2b s GLY 100 N -4.83 1.90 0.28 8.18 0.00 -1.24 -5.09 107.32 106.51 2k2b s GLY 100 Ca -0.08 -1.62 -0.29 0.00 0.00 0.00 0.00 44.72 42.73 2k2b s GLY 100 CO 0.88 -1.38 0.99 -0.54 0.00 0.00 0.00 173.10 173.05 2k2b s GLU 101 N -4.50 4.71 -0.56 2.90 2.02 -1.26 -4.58 118.70 117.43 2k2b s GLU 101 Ca 0.56 1.55 0.00 0.00 0.02 0.00 0.00 54.97 57.11 2k2b s GLU 101 Cb -0.10 -3.13 0.14 0.00 0.10 0.00 0.00 34.13 31.15 2k2b s GLU 101 CO 0.35 0.35 0.34 0.00 0.02 0.00 0.00 175.26 176.32 2k2b s ALA 102 N -1.28 3.42 1.00 5.21 0.00 -1.26 -4.50 121.76 124.34 2k2b s ALA 102 Ca 0.45 -3.20 0.00 0.00 0.00 0.00 0.00 51.96 49.20 2k2b s ALA 102 Cb -0.26 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.45 2k2b s ALA 102 CO 0.33 -2.04 0.00 -0.35 0.00 0.00 0.00 175.76 173.70 2k2b n PRO 103 N 3.41 0.22 -4.20 0.00 -0.04 -1.26 -4.49 135.00 128.63 2k2b n PRO 103 Ca 0.06 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.35 2k2b n PRO 103 Cb 0.36 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.69 2k2b n PRO 103 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2k2b s LEU 104 N 0.00 2.22 0.10 1.53 2.34 -1.26 -4.89 118.68 118.72 2k2b s LEU 104 Ca 0.00 -0.51 -0.22 0.00 0.06 0.00 0.00 54.13 53.46 2k2b s LEU 104 Cb 0.00 -0.43 -0.07 0.00 -0.56 0.00 0.00 46.19 45.13 2k2b s LEU 104 CO 0.00 -0.06 0.65 -1.83 -1.06 0.00 0.00 176.35 174.05 2k2b s GLU 105 N -1.38 4.35 0.00 1.48 -1.05 -1.26 -4.97 118.70 115.87 2k2b s GLU 105 Ca -0.03 0.90 0.05 0.00 -0.15 0.00 0.00 54.97 55.75 2k2b s GLU 105 Cb -0.09 -3.26 -0.01 0.00 -0.44 0.00 0.00 34.13 30.33 2k2b s GLU 105 CO 0.01 0.58 0.41 1.58 0.95 0.00 0.00 175.26 178.79 2k2b n HIS 106 N 1.80 0.00 -3.15 4.83 -0.00 -1.26 -4.90 115.22 112.55 2k2b n HIS 106 Ca -0.08 0.00 -0.45 0.00 0.46 0.00 0.00 57.72 57.65 2k2b n HIS 106 Cb 0.50 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.33 2k2b n HIS 106 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2k2b s HIS 107 N -1.03 3.06 0.31 1.57 5.65 -1.26 -5.05 115.29 118.55 2k2b s HIS 107 Ca 0.04 -1.06 -0.29 0.00 0.25 0.00 0.00 55.06 54.00 2k2b s HIS 107 Cb 0.04 -3.98 -0.11 0.00 -1.18 0.00 0.00 32.58 27.35 2k2b s HIS 107 CO 0.14 -1.25 1.53 -3.38 -0.65 0.00 0.00 174.74 171.14 2k2b s HIS 108 N 2.43 2.75 0.17 3.88 -3.43 -1.26 -4.91 115.29 114.92 2k2b s HIS 108 Ca 0.11 0.95 -0.32 0.00 -0.80 0.00 0.00 55.06 55.01 2k2b s HIS 108 Cb -0.24 -4.01 -0.11 0.00 -1.43 0.00 0.00 32.58 26.79 2k2b s HIS 108 CO 0.05 -3.22 1.71 -1.01 -2.00 0.00 0.00 174.74 170.27 2k2b s HIS 109 N -0.39 2.74 -0.21 0.38 3.76 -1.26 -4.98 115.29 115.33 2k2b s HIS 109 Ca 0.59 0.32 0.02 0.00 -0.15 0.00 0.00 55.06 55.83 2k2b s HIS 109 Cb -0.46 -4.09 0.03 0.00 1.11 0.00 0.00 32.58 29.17 2k2b s HIS 109 CO 0.52 -4.22 -0.16 -1.58 -0.85 0.00 0.00 174.74 168.44 2k2b s HIS 110 N 1.62 2.90 0.00 1.40 2.46 -1.26 -5.31 115.29 117.11 2k2b s HIS 110 Ca 0.75 -1.85 0.00 0.00 0.47 0.00 0.00 55.06 54.43 2k2b s HIS 110 Cb -0.47 -1.90 0.00 0.00 -0.13 0.00 0.00 32.58 30.08 2k2b s HIS 110 CO 0.33 -0.83 0.00 -2.39 -2.47 0.00 0.00 174.74 169.38