#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2b s SER 2 N 0.00 1.91 0.19 3.17 0.01 -1.26 -5.01 113.70 112.72 2k2b s SER 2 Ca 0.00 -1.03 -0.21 0.00 1.31 0.00 0.00 55.95 56.03 2k2b s SER 2 Cb 0.00 -0.03 0.14 0.00 0.21 0.00 0.00 66.02 66.34 2k2b s SER 2 CO 0.00 -0.32 1.58 -0.25 0.41 0.00 0.00 173.24 174.66 2k2b h TRP 3 N 2.73 -0.99 0.02 2.43 7.01 -2.03 0.78 115.95 125.91 2k2b h TRP 3 Ca -0.37 0.08 0.03 0.00 2.11 0.00 0.00 58.89 60.74 2k2b h TRP 3 Cb 1.20 0.53 -0.04 0.00 -2.10 0.00 0.00 29.16 28.75 2k2b h TRP 3 CO 0.65 -0.39 -0.23 0.52 -2.79 0.00 0.00 178.44 176.20 2k2b h MET 4 N -0.13 -0.37 -0.27 2.65 2.86 -1.97 -2.61 114.93 115.09 2k2b h MET 4 Ca 0.25 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.96 2k2b h MET 4 Cb 0.56 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.26 2k2b h MET 4 CO -0.74 -0.24 -0.01 1.96 1.06 0.00 0.00 176.91 178.93 2k2b h GLN 5 N -0.38 0.06 -0.91 1.72 4.20 -1.44 0.44 115.11 118.81 2k2b h GLN 5 Ca 0.06 -0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.84 2k2b h GLN 5 Cb 0.45 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.15 2k2b h GLN 5 CO -0.20 0.04 0.56 -0.91 -0.67 0.00 0.00 178.83 177.66 2k2b h ASN 6 N 0.06 0.87 0.29 1.46 4.21 -0.73 -0.62 115.58 121.12 2k2b h ASN 6 Ca 0.13 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.66 2k2b h ASN 6 Cb 0.18 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.22 2k2b h ASN 6 CO -0.23 0.53 -0.47 0.18 -1.29 0.00 0.00 177.43 176.16 2k2b n LEU 7 N -4.61 0.91 0.15 1.61 4.32 -1.00 -3.80 117.00 114.58 2k2b n LEU 7 Ca 0.14 -0.23 -0.00 0.00 -0.02 0.00 0.00 56.01 55.90 2k2b n LEU 7 Cb 0.22 -0.15 0.22 0.00 -1.62 0.00 0.00 43.42 42.09 2k2b n LEU 7 CO 0.30 0.19 0.55 0.50 -1.22 0.00 0.00 177.39 177.71 2k2b h LYS 8 N 0.69 0.00 -6.33 3.23 3.11 0.14 -3.41 116.57 114.00 2k2b h LYS 8 Ca 0.00 0.00 -0.55 0.00 -2.81 0.00 0.00 60.65 57.29 2k2b h LYS 8 Cb 0.53 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.75 2k2b h LYS 8 CO 0.00 0.56 0.94 -0.80 -2.81 0.00 0.00 179.45 177.33 2k2b s ASN 9 N -6.82 6.78 0.37 4.20 -0.87 -0.90 -4.95 114.94 112.74 2k2b s ASN 9 Ca -0.01 2.15 -0.25 0.00 -1.57 0.00 0.00 52.86 53.18 2k2b s ASN 9 Cb 0.13 -2.55 -0.13 0.00 -0.02 0.00 0.00 41.25 38.68 2k2b s ASN 9 CO 0.75 -0.81 0.81 -1.22 -2.57 0.00 0.00 177.10 174.06 2k2b n TYR 10 N 6.04 0.48 0.00 2.20 4.01 -1.26 -5.00 117.16 123.62 2k2b n TYR 10 Ca 0.15 0.65 0.00 0.00 -0.16 0.00 0.00 57.90 58.53 2k2b n TYR 10 Cb 0.43 -2.13 0.00 0.00 -0.31 0.00 0.00 39.34 37.33 2k2b n TYR 10 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2k2b n GLN 11 N 0.52 0.00 -0.10 -0.72 -0.00 -1.26 -4.97 117.38 110.85 2k2b n GLN 11 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.11 2k2b n GLN 11 Cb 0.36 0.00 0.04 0.00 -0.00 0.00 0.00 30.24 30.64 2k2b n GLN 11 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 2k2b n HIS 12 N 0.00 0.24 -1.35 2.61 -0.00 -1.26 -4.81 115.22 110.65 2k2b n HIS 12 Ca 0.00 -0.17 -0.12 0.00 -0.00 0.00 0.00 57.72 57.43 2k2b n HIS 12 Cb 0.00 -0.17 -0.05 0.00 -0.00 0.00 0.00 29.99 29.76 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 0.11 -0.63 -4.58 0.27 4.32 -1.26 -4.97 117.00 110.27 2k2b n LEU 13 Ca 0.03 0.30 -0.37 0.00 -0.02 0.00 0.00 56.01 55.95 2k2b n LEU 13 Cb 0.40 -2.34 -0.11 0.00 -1.62 0.00 0.00 43.42 39.75 2k2b n LEU 13 CO 0.04 -0.87 -0.19 -0.60 -1.22 0.00 0.00 177.39 174.55 2k2b s ARG 14 N -2.90 3.92 -0.47 3.23 6.06 -1.26 -4.68 118.95 122.84 2k2b s ARG 14 Ca 0.00 -0.34 -0.44 0.00 -2.50 0.00 0.00 55.73 52.45 2k2b s ARG 14 Cb 0.00 -3.57 -0.18 0.00 0.06 0.00 0.00 34.95 31.26 2k2b s ARG 14 CO 0.00 -0.13 1.99 -0.40 -2.50 0.00 0.00 175.30 174.26 2k2b n ASP 15 N 4.88 1.08 -4.85 -2.12 5.75 -1.26 -4.94 116.55 115.09 2k2b n ASP 15 Ca -0.15 0.80 -0.37 0.00 -0.01 0.00 0.00 54.79 55.06 2k2b n ASP 15 Cb 0.52 -0.94 -0.06 0.00 -1.03 0.00 0.00 41.12 39.61 2k2b n ASP 15 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 2k2b s PRO 16 N 5.15 3.74 0.57 0.11 0.04 -1.26 -4.98 135.00 138.38 2k2b s PRO 16 Ca 1.14 0.17 0.29 0.00 0.04 0.00 0.00 61.00 62.64 2k2b s PRO 16 Cb -1.42 -3.22 1.48 0.00 0.04 0.00 0.00 34.50 31.39 2k2b s PRO 16 CO 0.68 0.70 1.93 1.03 0.04 0.00 0.00 177.00 181.39 2k2b h SER 17 N 4.93 0.00 -0.80 6.66 0.87 -1.99 0.92 113.55 124.14 2k2b h SER 17 Ca -0.52 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.03 2k2b h SER 17 Cb 1.22 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.14 2k2b h SER 17 CO 0.61 0.00 0.48 -0.33 -0.53 0.00 0.00 176.83 177.06 2k2b h GLU 18 N 0.00 1.08 -0.26 2.24 3.07 -1.98 -0.41 114.58 118.32 2k2b h GLU 18 Ca 0.23 -0.10 -0.07 0.00 -0.50 0.00 0.00 59.36 58.93 2k2b h GLU 18 Cb 1.14 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.82 2k2b h GLU 18 CO -0.00 0.76 -0.11 1.88 -1.40 0.00 0.00 179.01 180.14 2k2b h TYR 19 N 1.09 0.62 0.00 4.33 -1.99 -1.20 0.37 116.97 120.19 2k2b h TYR 19 Ca 0.29 -0.15 -0.03 0.00 2.00 0.00 0.00 58.73 60.84 2k2b h TYR 19 Cb -0.04 -0.14 -0.00 0.00 2.00 0.00 0.00 36.73 38.54 2k2b h TYR 19 CO -0.01 0.78 -0.13 0.00 -0.00 0.00 0.00 178.16 178.80 2k2b h MET 20 N 0.28 0.00 0.00 4.88 -0.00 -1.30 -1.39 114.93 117.39 2k2b h MET 20 Ca 0.06 0.00 -0.18 0.00 -0.00 0.00 0.00 59.70 59.58 2k2b h MET 20 Cb 0.60 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.17 2k2b h MET 20 CO 0.03 0.13 -1.21 1.03 -0.00 0.00 0.00 176.91 176.90 2k2b h SER 21 N 0.00 0.00 -0.34 -0.10 0.87 -0.92 -3.38 113.55 109.68 2k2b h SER 21 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 2k2b h SER 21 Cb 0.44 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 2k2b h SER 21 CO 0.02 0.67 0.16 -0.61 -0.53 0.00 0.00 176.83 176.54 2k2b h GLN 22 N 0.00 0.50 -5.61 2.24 5.75 0.84 -3.43 115.11 115.38 2k2b h GLN 22 Ca -0.13 -0.08 -0.67 0.00 -0.15 0.00 0.00 58.65 57.62 2k2b h GLN 22 Cb 1.63 -0.09 -0.28 0.00 1.07 0.00 0.00 27.48 29.81 2k2b h GLN 22 CO 0.06 0.46 -0.81 0.08 -2.65 0.00 0.00 178.83 175.98 2k2b s VAL 23 N -5.67 2.68 -0.78 2.39 1.01 -0.92 -2.83 120.40 116.28 2k2b s VAL 23 Ca -0.13 -0.82 0.26 0.00 0.00 0.00 0.00 61.98 61.30 2k2b s VAL 23 Cb 0.09 -2.07 0.25 0.00 0.00 0.00 0.00 36.38 34.66 2k2b s VAL 23 CO 0.73 0.55 1.75 0.00 0.00 0.00 0.00 175.10 178.14 2k2b n TYR 24 N 3.22 0.72 -2.07 5.22 9.36 -1.26 -4.44 117.16 127.91 2k2b n TYR 24 Ca -0.18 0.21 -0.28 0.00 3.32 0.00 0.00 57.90 60.97 2k2b n TYR 24 Cb 0.53 -0.83 -0.05 0.00 -0.63 0.00 0.00 39.34 38.35 2k2b n TYR 24 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 2k2b s GLY 25 N -3.47 0.21 -0.46 2.98 0.00 -1.25 -4.15 107.32 101.19 2k2b s GLY 25 Ca 0.11 -1.81 -0.19 0.00 0.00 0.00 0.00 44.72 42.82 2k2b s GLY 25 CO 0.60 3.49 0.62 1.22 0.00 0.00 0.00 173.10 179.03 2k2b n ASP 26 N 14.00 -7.43 -0.27 1.64 8.00 -1.26 -4.06 116.55 127.16 2k2b n ASP 26 Ca 0.42 0.35 0.04 0.00 0.71 0.00 0.00 54.79 56.31 2k2b n ASP 26 Cb 0.47 -4.61 0.13 0.00 -0.02 0.00 0.00 41.12 37.09 2k2b n ASP 26 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 2k2b h PRO 27 N 1.90 0.03 -0.25 -0.24 0.11 -1.78 0.11 132.00 131.88 2k2b h PRO 27 Ca -0.12 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.83 2k2b h PRO 27 Cb 1.09 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2k2b h PRO 27 CO 0.21 0.02 -0.47 -0.07 -0.21 0.00 0.00 178.00 177.49 2k2b h LEU 28 N 0.04 0.71 0.00 2.35 -0.00 -1.89 -1.22 115.31 115.29 2k2b h LEU 28 Ca 0.41 -0.34 -0.00 0.00 -0.00 0.00 0.00 57.88 57.94 2k2b h LEU 28 Cb 0.68 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 41.14 2k2b h LEU 28 CO -0.77 1.06 -0.00 0.00 -0.00 0.00 0.00 178.44 178.73 2k2b h ALA 29 N 0.96 -0.00 -0.83 1.53 0.00 -1.41 -0.05 119.26 119.46 2k2b h ALA 29 Ca 0.03 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.75 2k2b h ALA 29 Cb 1.01 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 2k2b h ALA 29 CO 0.09 -0.27 0.53 -0.92 0.00 0.00 0.00 179.25 178.68 2k2b h TYR 30 N -0.46 0.98 -0.06 0.00 3.20 -0.91 0.77 116.97 120.49 2k2b h TYR 30 Ca -0.00 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.92 2k2b h TYR 30 Cb 0.46 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 2k2b h TYR 30 CO 0.09 0.55 -0.12 1.25 -1.64 0.00 0.00 178.16 178.29 2k2b h LEU 31 N 1.01 -0.36 -0.76 2.82 5.85 -1.17 -0.16 115.31 122.55 2k2b h LEU 31 Ca 0.34 0.06 0.09 0.00 0.84 0.00 0.00 57.88 59.21 2k2b h LEU 31 Cb 0.04 0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 2k2b h LEU 31 CO -0.13 -0.17 0.41 -0.61 -0.34 0.00 0.00 178.44 177.61 2k2b h GLN 32 N -0.18 0.69 0.08 1.25 5.75 -0.37 -2.59 115.11 119.75 2k2b h GLN 32 Ca 0.06 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.52 2k2b h GLN 32 Cb 0.26 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.66 2k2b h GLN 32 CO -0.16 0.46 -0.04 1.49 -2.65 0.00 0.00 178.83 177.93 2k2b h GLU 33 N 0.71 -0.11 -0.77 1.69 4.22 -0.43 -1.96 114.58 117.93 2k2b h GLU 33 Ca 0.36 0.01 0.09 0.00 0.08 0.00 0.00 59.36 59.90 2k2b h GLU 33 Cb 0.33 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 2k2b h GLU 33 CO -0.24 0.09 0.51 1.79 -2.18 0.00 0.00 179.01 178.97 2k2b h THR 34 N -0.29 0.97 0.00 0.32 1.35 -0.71 1.00 112.91 115.55 2k2b h THR 34 Ca -0.01 -0.25 -0.10 0.00 -0.55 0.00 0.00 66.41 65.50 2k2b h THR 34 Cb 0.25 0.17 -0.01 0.00 -1.73 0.00 0.00 68.15 66.82 2k2b h THR 34 CO 0.02 0.13 -0.47 0.00 -0.25 0.00 0.00 175.52 174.95 2k2b h THR 35 N 0.73 0.86 0.00 6.82 1.03 -1.45 -3.10 112.91 117.80 2k2b h THR 35 Ca 0.35 -2.06 -0.05 0.00 -0.01 0.00 0.00 66.41 64.63 2k2b h THR 35 Cb 0.40 2.32 -0.01 0.00 -1.07 0.00 0.00 68.15 69.79 2k2b h THR 35 CO -0.13 0.46 -0.30 0.50 -0.01 0.00 0.00 175.52 176.04 2k2b h LYS 36 N 0.00 0.00 -5.23 0.00 1.63 0.16 -3.47 116.57 109.66 2k2b h LYS 36 Ca -0.00 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2k2b h LYS 36 Cb 1.28 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.91 2k2b h LYS 36 CO 0.06 0.24 -0.74 1.19 -3.45 0.00 0.00 179.45 176.75 2k2b n PHE 37 N -3.14 -3.73 -3.13 1.91 3.72 0.32 -4.17 117.46 109.24 2k2b n PHE 37 Ca 0.03 1.58 -0.18 0.00 -0.05 0.00 0.00 57.45 58.82 2k2b n PHE 37 Cb 0.63 -4.03 -0.01 0.00 -0.94 0.00 0.00 39.48 35.13 2k2b n PHE 37 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2k2b n VAL 38 N 0.19 -0.56 -0.11 -4.37 0.24 -1.25 -4.80 118.33 107.68 2k2b n VAL 38 Ca 0.06 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.15 2k2b n VAL 38 Cb 0.24 -1.20 -0.07 0.00 -1.47 0.00 0.00 33.84 31.34 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 -3.50 1.34 -3.51 3.34 -1.04 -1.26 -5.02 114.28 104.63 2k2b n THR 39 Ca -0.02 -0.20 -0.37 0.00 -2.04 0.00 0.00 64.05 61.43 2k2b n THR 39 Cb 0.53 -1.93 -0.07 0.00 -1.82 0.00 0.00 70.33 67.04 2k2b n THR 39 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2k2b s GLU 40 N -2.52 4.27 0.27 -2.82 2.12 -1.26 -4.98 118.70 113.78 2k2b s GLU 40 Ca -0.31 0.13 -0.02 0.00 0.36 0.00 0.00 54.97 55.13 2k2b s GLU 40 Cb 0.10 -3.43 0.37 0.00 0.26 0.00 0.00 34.13 31.43 2k2b s GLU 40 CO 0.40 0.22 1.81 0.07 -0.54 0.00 0.00 175.26 177.23 2k2b h ARG 41 N 6.71 0.85 -0.23 4.30 0.11 -1.96 -2.12 114.38 122.04 2k2b h ARG 41 Ca -0.41 -0.18 0.07 0.00 0.10 0.00 0.00 59.98 59.56 2k2b h ARG 41 Cb 1.16 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 32.11 2k2b h ARG 41 CO 0.76 0.77 0.48 0.93 0.10 0.00 0.00 179.97 183.01 2k2b h GLU 42 N 0.82 0.00 0.00 0.08 3.07 -1.94 0.14 114.58 116.75 2k2b h GLU 42 Ca 0.18 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 2k2b h GLU 42 Cb 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 2k2b h GLU 42 CO 0.00 0.00 0.00 0.66 -1.40 0.00 0.00 179.01 178.27 2k2b n TYR 43 N -3.21 0.00 1.82 4.33 4.01 -0.82 -4.36 117.16 118.93 2k2b n TYR 43 Ca 0.03 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.93 2k2b n TYR 43 Cb 0.60 -0.12 0.88 0.00 -0.31 0.00 0.00 39.34 40.38 2k2b n TYR 43 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 2k2b n TYR 44 N -1.74 0.00 0.54 -0.72 0.18 -1.09 -1.18 117.16 113.15 2k2b n TYR 44 Ca 0.00 0.00 0.06 0.00 1.88 0.00 0.00 57.90 59.84 2k2b n TYR 44 Cb 0.00 -0.04 0.03 0.00 -0.38 0.00 0.00 39.34 38.95 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 -1.04 1.31 0.00 -3.48 -0.58 0.48 -4.72 120.64 112.61 2k2b n GLU 45 Ca 0.21 -1.01 0.00 0.00 -0.42 0.00 0.00 57.16 55.95 2k2b n GLU 45 Cb 0.12 -1.21 0.00 0.00 -0.57 0.00 0.00 31.44 29.79 2k2b n GLU 45 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2k2b n ASP 46 N 0.31 2.18 -0.31 1.62 8.00 -0.98 -4.36 116.55 123.02 2k2b n ASP 46 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.56 2k2b n ASP 46 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 2k2b n ASP 46 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 2k2b n PHE 47 N -2.37 -0.19 -0.44 1.24 -1.74 -0.33 -4.95 117.46 108.69 2k2b n PHE 47 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 2k2b n PHE 47 Cb 0.36 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.36 2k2b n PHE 47 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2k2b n GLY 48 N 0.00 0.74 3.76 4.97 0.00 -1.26 -4.14 105.19 109.26 2k2b n GLY 48 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.62 3.63 0.00 1.61 1.51 -1.26 -4.64 117.35 115.58 2k2b s TYR 49 Ca 0.00 1.04 0.00 0.00 -1.01 0.00 0.00 57.07 57.10 2k2b s TYR 49 Cb 0.00 -2.52 0.00 0.00 -0.11 0.00 0.00 41.96 39.33 2k2b s TYR 49 CO 0.00 0.35 0.45 0.41 -1.11 0.00 0.00 175.55 175.65 2k2b n GLY 50 N 2.62 -3.08 0.01 0.71 0.00 -1.23 -3.47 105.19 100.74 2k2b n GLY 50 Ca -0.08 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.62 2.19 -0.04 1.61 0.00 -1.26 -3.74 120.64 118.78 2k2b n GLU 51 Ca 0.00 -1.28 -0.01 0.00 0.00 0.00 0.00 57.16 55.87 2k2b n GLU 51 Cb 0.00 -0.88 -0.00 0.00 0.00 0.00 0.00 31.44 30.55 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 -0.63 0.62 -3.96 0.00 3.04 -1.78 -1.15 116.94 113.08 2k2b h PHE 53 Ca 0.00 -0.45 -0.51 0.00 3.98 0.00 0.00 57.97 60.99 2k2b h PHE 53 Cb 0.13 -0.02 0.05 0.00 2.56 0.00 0.00 35.95 38.67 2k2b h PHE 53 CO -0.06 1.40 0.49 1.21 -2.02 0.00 0.00 178.31 179.33 2k2b s ASN 54 N -7.10 6.42 0.12 0.41 2.47 -1.23 -3.66 114.94 112.38 2k2b s ASN 54 Ca -0.14 2.32 0.17 0.00 0.42 0.00 0.00 52.86 55.64 2k2b s ASN 54 Cb 0.02 -2.61 -0.08 0.00 -1.45 0.00 0.00 41.25 37.13 2k2b s ASN 54 CO 0.84 -0.74 0.97 -1.28 -3.72 0.00 0.00 177.10 173.17 2k2b h SER 55 N 2.44 0.00 -1.78 -4.21 0.87 -1.86 -3.40 113.55 105.61 2k2b h SER 55 Ca -0.49 0.00 -0.62 0.00 -1.23 0.00 0.00 61.79 59.46 2k2b h SER 55 Cb 1.24 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 63.08 2k2b h SER 55 CO 0.62 0.48 1.17 0.42 -0.53 0.00 0.00 176.83 178.99 2k2b s THR 56 N -2.99 4.13 -1.15 2.23 -4.23 -1.26 -4.95 115.64 107.42 2k2b s THR 56 Ca -0.01 -0.74 -0.21 0.00 -1.18 0.00 0.00 61.69 59.55 2k2b s THR 56 Cb 0.09 -4.93 0.05 0.00 1.34 0.00 0.00 72.50 69.05 2k2b s THR 56 CO 0.80 -1.77 1.62 -1.83 -0.54 0.00 0.00 174.62 172.89 2k2b s GLU 57 N 4.44 3.70 -1.10 3.99 1.03 -1.26 -4.77 118.70 124.73 2k2b s GLU 57 Ca 0.39 -1.51 -0.18 0.00 0.03 0.00 0.00 54.97 53.70 2k2b s GLU 57 Cb -0.04 -5.43 0.12 0.00 -0.80 0.00 0.00 34.13 27.97 2k2b s GLU 57 CO -0.04 -2.34 1.40 -1.12 -1.33 0.00 0.00 175.26 171.84 2k2b s SER 58 N 4.78 6.78 0.55 0.83 0.01 -1.26 -4.85 113.70 120.54 2k2b s SER 58 Ca 0.51 -2.30 0.25 0.00 1.31 0.00 0.00 55.95 55.73 2k2b s SER 58 Cb 0.02 -2.47 1.58 0.00 0.21 0.00 0.00 66.02 65.36 2k2b s SER 58 CO -0.00 -1.07 2.18 -0.33 0.41 0.00 0.00 173.24 174.42 2k2b h GLU 59 N 8.27 0.00 0.04 12.44 5.08 -1.91 -0.54 114.58 137.96 2k2b h GLU 59 Ca 0.27 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.33 2k2b h GLU 59 Cb 0.95 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.16 2k2b h GLU 59 CO 1.28 0.04 -1.64 0.28 -1.00 0.00 0.00 179.01 177.97 2k2b h VAL 60 N 0.00 0.97 -0.58 3.13 2.07 -2.03 -3.34 116.25 116.47 2k2b h VAL 60 Ca -0.00 -2.75 0.00 0.00 0.82 0.00 0.00 66.70 64.77 2k2b h VAL 60 Cb 0.10 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 2k2b h VAL 60 CO 0.01 0.67 0.00 0.00 0.02 0.00 0.00 177.57 178.26 2k2b n GLN 61 N -3.22 2.33 -3.98 1.57 1.13 -0.92 -4.93 117.38 109.36 2k2b n GLN 61 Ca -0.17 -2.07 -0.09 0.00 -1.94 0.00 0.00 57.00 52.73 2k2b n GLN 61 Cb 1.04 -1.45 -0.06 0.00 0.11 0.00 0.00 30.24 29.88 2k2b n GLN 61 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2k2b s GLU 63 N -4.01 1.48 -0.19 0.00 2.02 -1.13 -4.67 118.70 112.21 2k2b s GLU 63 Ca 0.21 -2.03 0.03 0.00 0.02 0.00 0.00 54.97 53.20 2k2b s GLU 63 Cb 0.00 -2.87 -0.22 0.00 0.10 0.00 0.00 34.13 31.15 2k2b s GLU 63 CO 0.07 -1.05 0.08 1.47 0.02 0.00 0.00 175.26 175.85 2k2b n LEU 64 N 3.81 2.25 -0.21 1.80 -0.00 -1.26 -4.68 117.00 118.71 2k2b n LEU 64 Ca 0.04 0.04 0.00 0.00 -0.00 0.00 0.00 56.01 56.10 2k2b n LEU 64 Cb 0.37 -0.67 0.00 0.00 -0.00 0.00 0.00 43.42 43.13 2k2b n LEU 64 CO 0.25 0.80 0.27 2.30 -0.00 0.00 0.00 177.39 181.00 2k2b n ILE 65 N -3.23 0.09 0.08 1.47 -5.35 -1.26 -4.90 119.36 106.25 2k2b n ILE 65 Ca -0.37 -0.10 -0.10 0.00 -0.27 0.00 0.00 62.75 61.91 2k2b n ILE 65 Cb 1.04 0.75 -0.07 0.00 -1.74 0.00 0.00 39.64 39.62 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 4.44 0.63 0.00 7.28 2.02 -1.86 -3.49 112.91 121.93 2k2b h THR 66 Ca 0.00 -1.01 0.00 0.00 0.77 0.00 0.00 66.41 66.17 2k2b h THR 66 Cb 1.14 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 2k2b h THR 66 CO 0.00 0.16 0.00 0.61 0.37 0.00 0.00 175.52 176.66 2k2b n GLY 67 N 0.60 -1.76 0.10 2.16 0.00 -1.26 -5.06 105.19 99.96 2k2b n GLY 67 Ca -0.07 0.61 -0.13 0.00 0.00 0.00 0.00 46.02 46.42 2k2b n GLY 67 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2k2b h GLU 68 N 0.00 0.16 0.00 1.61 4.39 -1.97 -3.36 114.58 115.42 2k2b h GLU 68 Ca 0.00 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.41 2k2b h GLU 68 Cb 0.00 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2k2b h GLU 68 CO 0.00 1.02 -0.06 0.27 -1.16 0.00 0.00 179.01 179.08 2k2b h PHE 69 N 0.04 0.00 -2.12 4.33 -0.00 -1.95 -3.43 116.94 113.81 2k2b h PHE 69 Ca -0.18 0.00 -0.63 0.00 -0.00 0.00 0.00 57.97 57.16 2k2b h PHE 69 Cb 1.95 0.00 0.07 0.00 -0.00 0.00 0.00 35.95 37.98 2k2b h PHE 69 CO 0.04 0.06 0.45 -3.47 -0.00 0.00 0.00 178.31 175.39 2k2b n ASP 70 N -3.59 1.95 -0.59 -0.68 -0.08 -1.26 -4.82 116.55 107.48 2k2b n ASP 70 Ca -0.02 1.13 0.00 0.00 -1.51 0.00 0.00 54.79 54.39 2k2b n ASP 70 Cb 0.17 -1.29 0.00 0.00 2.34 0.00 0.00 41.12 42.34 2k2b n ASP 70 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2k2b n PRO 71 N 2.14 0.81 -0.24 -0.67 -0.04 -1.26 -4.32 135.00 131.42 2k2b n PRO 71 Ca 0.15 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.60 2k2b n PRO 71 Cb 0.26 -1.35 0.06 0.00 -0.04 0.00 0.00 33.50 32.43 2k2b n PRO 71 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2k2b h LYS 72 N 0.23 -0.05 -0.68 0.54 3.64 -1.94 -1.13 116.57 117.18 2k2b h LYS 72 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2k2b h LYS 72 Cb 0.47 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2k2b h LYS 72 CO 0.00 -0.03 0.00 1.47 -2.27 0.00 0.00 179.45 178.62 2k2b n LEU 73 N -5.47 4.12 -4.69 5.20 -0.00 -1.26 -4.92 117.00 109.97 2k2b n LEU 73 Ca 0.08 -2.14 -0.42 0.00 -0.00 0.00 0.00 56.01 53.53 2k2b n LEU 73 Cb 0.37 -0.50 -0.03 0.00 -0.00 0.00 0.00 43.42 43.26 2k2b n LEU 73 CO 0.00 0.92 0.79 -0.22 -0.00 0.00 0.00 177.39 178.89 2k2b s LEU 74 N -1.26 4.29 1.23 1.47 1.98 -0.43 -4.98 118.68 120.97 2k2b s LEU 74 Ca 0.48 1.63 -0.18 0.00 -2.89 0.00 0.00 54.13 53.17 2k2b s LEU 74 Cb 0.27 -3.56 0.25 0.00 0.66 0.00 0.00 46.19 43.81 2k2b s LEU 74 CO 0.29 -0.43 0.58 -0.81 -1.89 0.00 0.00 176.35 174.09 2k2b n PRO 75 N 4.73 -3.01 -2.68 0.98 -0.04 -1.26 -4.87 135.00 128.85 2k2b n PRO 75 Ca 0.08 -0.88 -0.42 0.00 -0.04 0.00 0.00 63.50 62.25 2k2b n PRO 75 Cb 0.49 -1.82 -0.03 0.00 -0.04 0.00 0.00 33.50 32.09 2k2b n PRO 75 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2k2b s TYR 76 N -2.20 2.62 -0.35 0.54 2.02 -1.26 -4.93 117.35 113.79 2k2b s TYR 76 Ca 0.58 -0.74 0.04 0.00 -0.37 0.00 0.00 57.07 56.58 2k2b s TYR 76 Cb -0.14 -4.53 0.10 0.00 -0.40 0.00 0.00 41.96 36.99 2k2b s TYR 76 CO 0.56 -1.83 0.07 -0.51 -1.57 0.00 0.00 175.55 172.27 2k2b s ASP 77 N 4.20 4.67 0.00 2.29 1.01 -1.26 -5.06 116.67 122.52 2k2b s ASP 77 Ca 0.37 -2.17 0.00 0.00 0.71 0.00 0.00 52.55 51.45 2k2b s ASP 77 Cb -0.06 -1.56 0.00 0.00 1.01 0.00 0.00 42.92 42.32 2k2b s ASP 77 CO -0.01 -0.37 0.85 1.17 0.21 0.00 0.00 175.17 177.02 2k2b n LYS 78 N 4.22 0.00 -0.33 8.23 3.00 -1.26 -0.42 118.16 131.60 2k2b n LYS 78 Ca 0.04 0.56 -0.03 0.00 -0.00 0.00 0.00 58.31 58.87 2k2b n LYS 78 Cb 0.41 -1.35 0.09 0.00 0.00 0.00 0.00 35.03 34.18 2k2b n LYS 78 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2k2b h ARG 79 N 0.00 1.19 0.47 1.64 2.43 -1.99 -0.76 114.38 117.37 2k2b h ARG 79 Ca 0.00 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 2k2b h ARG 79 Cb 0.00 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.30 2k2b h ARG 79 CO 0.00 0.82 -0.22 -0.07 -1.51 0.00 0.00 179.97 178.98 2k2b h LEU 80 N 1.22 -0.53 -1.15 3.80 4.07 -1.96 -2.61 115.31 118.14 2k2b h LEU 80 Ca 0.32 0.02 0.15 0.00 0.08 0.00 0.00 57.88 58.45 2k2b h LEU 80 Cb -0.09 0.14 -0.08 0.00 1.08 0.00 0.00 40.66 41.70 2k2b h LEU 80 CO -0.06 -0.37 0.60 0.00 -1.08 0.00 0.00 178.44 177.53 2k2b h ALA 81 N -1.70 1.72 -0.31 1.53 0.00 -0.75 -1.56 119.26 118.19 2k2b h ALA 81 Ca -0.06 0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.94 2k2b h ALA 81 Cb 0.48 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 2k2b h ALA 81 CO 0.10 0.01 -0.33 2.35 0.00 0.00 0.00 179.25 181.39 2k2b h TRP 82 N 0.80 -0.91 -0.04 0.00 2.91 -1.06 0.44 115.95 118.09 2k2b h TRP 82 Ca 0.49 0.05 -0.00 0.00 1.13 0.00 0.00 58.89 60.56 2k2b h TRP 82 Cb 0.70 0.44 -0.00 0.00 -0.51 0.00 0.00 29.16 29.79 2k2b h TRP 82 CO -0.00 -0.39 0.01 0.45 -1.03 0.00 0.00 178.44 177.48 2k2b h HIS 83 N -0.30 0.07 -0.55 2.65 3.86 -0.90 -1.75 115.15 118.23 2k2b h HIS 83 Ca 0.14 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.35 2k2b h HIS 83 Cb 0.54 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.96 2k2b h HIS 83 CO -0.50 0.27 0.36 0.74 0.86 0.00 0.00 177.93 179.67 2k2b h PHE 84 N -0.14 0.68 -0.22 2.45 0.04 -1.28 0.33 116.94 118.79 2k2b h PHE 84 Ca 0.01 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 2k2b h PHE 84 Cb 0.23 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 2k2b h PHE 84 CO 0.00 0.42 0.10 0.87 -0.60 0.00 0.00 178.31 179.11 2k2b h LYS 85 N 0.73 0.33 0.00 1.51 1.57 -0.73 -2.56 116.57 117.41 2k2b h LYS 85 Ca 0.20 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 2k2b h LYS 85 Cb -0.06 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 2k2b h LYS 85 CO -0.05 0.35 -0.09 0.93 -0.57 0.00 0.00 179.45 180.03 2k2b h GLU 86 N 0.22 0.00 0.00 3.15 5.08 -0.31 -0.86 114.58 121.87 2k2b h GLU 86 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2k2b h GLU 86 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2k2b h GLU 86 CO -0.01 0.09 0.00 1.19 -1.00 0.00 0.00 179.01 179.28 2k2b n PHE 87 N -3.23 0.00 0.24 4.33 3.72 0.10 -4.65 117.46 117.99 2k2b n PHE 87 Ca 0.00 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.47 2k2b n PHE 87 Cb 0.35 -0.40 -0.09 0.00 -0.94 0.00 0.00 39.48 38.40 2k2b n PHE 87 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2k2b n TYR 89 N -1.67 2.16 -3.90 0.00 9.36 -0.34 -4.61 117.16 118.16 2k2b n TYR 89 Ca -0.00 -0.92 -0.30 0.00 3.32 0.00 0.00 57.90 59.99 2k2b n TYR 89 Cb 0.27 -0.58 -0.04 0.00 -0.63 0.00 0.00 39.34 38.36 2k2b n TYR 89 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 2k2b s LYS 90 N -2.74 3.45 0.00 2.98 -0.14 -1.14 -4.87 119.74 117.28 2k2b s LYS 90 Ca 0.51 -0.44 0.27 0.00 -1.36 0.00 0.00 55.97 54.96 2k2b s LYS 90 Cb 0.40 -3.01 0.84 0.00 -1.68 0.00 0.00 37.83 34.38 2k2b s LYS 90 CO 0.14 0.59 1.62 -2.37 -0.76 0.00 0.00 175.35 174.56 2k2b n THR 91 N 0.15 0.00 -2.00 2.17 5.66 -1.26 -4.86 114.28 114.14 2k2b n THR 91 Ca -0.05 -0.23 -0.32 0.00 -3.05 0.00 0.00 64.05 60.40 2k2b n THR 91 Cb 0.51 0.58 0.01 0.00 -1.55 0.00 0.00 70.33 69.88 2k2b n THR 91 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2k2b s SER 92 N -2.19 5.79 0.17 1.09 0.01 -1.26 -5.08 113.70 112.23 2k2b s SER 92 Ca 0.32 1.77 -0.09 0.00 1.31 0.00 0.00 55.95 59.25 2k2b s SER 92 Cb 0.20 -2.53 -0.01 0.00 0.21 0.00 0.00 66.02 63.90 2k2b s SER 92 CO 0.40 -1.16 0.30 0.00 0.41 0.00 0.00 173.24 173.19 2k2b s ALA 93 N -2.55 -0.05 0.00 1.44 0.00 -1.25 -4.11 121.76 115.23 2k2b s ALA 93 Ca 0.62 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.73 2k2b s ALA 93 Cb -0.15 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.84 2k2b s ALA 93 CO 0.39 -0.66 0.00 1.58 0.00 0.00 0.00 175.76 177.07 2k2b n HIS 94 N -0.23 0.00 0.00 0.00 -0.00 -0.87 -4.61 115.22 109.51 2k2b n HIS 94 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.65 2k2b n HIS 94 Cb 0.63 -0.57 0.00 0.00 -0.00 0.00 0.00 29.99 30.05 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 -1.86 0.72 1.38 1.57 0.00 -0.49 -4.89 105.19 101.62 2k2b n GLY 95 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 -7.91 -1.68 -0.61 5.41 -1.26 -4.17 119.36 109.13 2k2b n ILE 96 Ca 0.00 1.73 -0.42 0.00 1.00 0.00 0.00 62.75 65.05 2k2b n ILE 96 Cb 0.00 -3.99 -0.03 0.00 -0.71 0.00 0.00 39.64 34.91 2k2b n ILE 96 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2k2b s PRO 97 N -1.69 3.79 0.00 0.38 0.02 -1.26 -4.86 135.00 131.37 2k2b s PRO 97 Ca 0.00 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.38 2k2b s PRO 97 Cb 0.00 -4.22 0.00 0.00 0.02 0.00 0.00 34.50 30.30 2k2b s PRO 97 CO 0.00 -1.35 0.00 -1.33 -0.33 0.00 0.00 177.00 173.99 2k2b n MET 98 N 7.94 0.00 0.27 5.54 2.81 -1.26 -4.83 117.12 127.59 2k2b n MET 98 Ca 0.23 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 56.01 2k2b n MET 98 Cb 0.43 -0.27 -0.05 0.00 -0.71 0.00 0.00 33.22 32.61 2k2b n MET 98 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2k2b h ILE 99 N 0.00 0.00 0.00 2.02 5.03 -1.92 -3.47 117.51 119.17 2k2b h ILE 99 Ca 0.00 -0.42 0.00 0.00 -0.12 0.00 0.00 64.86 64.32 2k2b h ILE 99 Cb 0.00 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 33.79 2k2b h ILE 99 CO 0.00 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 178.08 2k2b n GLY 100 N -0.13 -0.09 3.06 5.37 0.00 -1.26 -5.13 105.19 107.02 2k2b n GLY 100 Ca -0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.93 0.99 -0.35 1.61 2.56 -1.26 -4.91 118.70 116.40 2k2b s GLU 101 Ca 0.00 -0.41 0.01 0.00 0.00 0.00 0.00 54.97 54.56 2k2b s GLU 101 Cb 0.00 -0.94 0.11 0.00 2.00 0.00 0.00 34.13 35.30 2k2b s GLU 101 CO 0.00 0.23 0.13 0.00 -0.56 0.00 0.00 175.26 175.07 2k2b s ALA 102 N -0.20 1.86 0.05 6.30 0.00 -1.26 -4.58 121.76 123.93 2k2b s ALA 102 Ca 0.03 -2.04 -0.35 0.00 0.00 0.00 0.00 51.96 49.59 2k2b s ALA 102 Cb -0.05 -1.74 -0.15 0.00 0.00 0.00 0.00 23.12 21.18 2k2b s ALA 102 CO -0.00 -1.79 1.58 -2.30 0.00 0.00 0.00 175.76 173.24 2k2b n PRO 103 N 4.39 1.74 -1.64 0.00 -0.02 -1.26 -4.68 135.00 133.53 2k2b n PRO 103 Ca 0.02 0.63 -0.16 0.00 -2.02 0.00 0.00 63.50 61.97 2k2b n PRO 103 Cb 0.40 -2.37 -0.08 0.00 -0.02 0.00 0.00 33.50 31.43 2k2b n PRO 103 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2k2b s LEU 104 N 1.61 2.71 -0.17 2.45 2.96 -1.26 -4.89 118.68 122.09 2k2b s LEU 104 Ca 0.85 -0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 54.29 2k2b s LEU 104 Cb -0.81 -2.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.30 2k2b s LEU 104 CO 0.46 -4.08 -0.08 -0.70 -1.32 0.00 0.00 176.35 170.62 2k2b s GLU 105 N 8.49 3.43 0.00 1.98 2.56 -1.26 -4.99 118.70 128.91 2k2b s GLU 105 Ca 0.86 -0.63 0.05 0.00 0.00 0.00 0.00 54.97 55.25 2k2b s GLU 105 Cb -0.09 -2.83 0.18 0.00 2.00 0.00 0.00 34.13 33.40 2k2b s GLU 105 CO 0.11 0.06 1.14 0.72 -0.56 0.00 0.00 175.26 176.73 2k2b n HIS 106 N 4.02 0.18 -3.42 5.30 8.25 -1.26 -4.89 115.22 123.39 2k2b n HIS 106 Ca -0.18 -0.09 -0.18 0.00 -0.26 0.00 0.00 57.72 57.01 2k2b n HIS 106 Cb 0.52 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.70 2k2b n HIS 106 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k2b n HIS 107 N -0.12 -2.23 -0.91 4.41 -0.00 -1.26 -4.89 115.22 110.22 2k2b n HIS 107 Ca 0.05 0.83 -0.33 0.00 0.46 0.00 0.00 57.72 58.74 2k2b n HIS 107 Cb 0.12 -4.38 0.13 0.00 -0.12 0.00 0.00 29.99 25.74 2k2b n HIS 107 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2k2b n HIS 108 N -3.77 -0.05 -1.30 1.57 1.44 -1.26 -3.06 115.22 108.78 2k2b n HIS 108 Ca -0.17 0.34 -0.05 0.00 -2.01 0.00 0.00 57.72 55.83 2k2b n HIS 108 Cb 0.64 -1.94 -0.02 0.00 0.12 0.00 0.00 29.99 28.79 2k2b n HIS 108 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2k2b n HIS 109 N -3.52 -0.04 -2.99 -1.40 8.25 -1.26 -5.04 115.22 109.22 2k2b n HIS 109 Ca 0.10 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.16 2k2b n HIS 109 Cb 0.52 -1.27 -0.05 0.00 1.12 0.00 0.00 29.99 30.31 2k2b n HIS 109 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2k2b s HIS 110 N -2.19 3.72 -2.48 4.41 -3.43 -1.17 -5.22 115.29 108.94 2k2b s HIS 110 Ca 0.00 1.46 0.28 0.00 -0.80 0.00 0.00 55.06 56.00 2k2b s HIS 110 Cb 0.00 -2.82 1.09 0.00 -1.43 0.00 0.00 32.58 29.42 2k2b s HIS 110 CO 0.00 0.26 1.77 1.58 -2.00 0.00 0.00 174.74 176.35