#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pk2 n ASN 9 N 0.00 3.42 -0.33 1.20 6.94 -1.26 -4.80 115.26 120.42 2pk2 n ASN 9 Ca 0.00 -3.82 -0.04 0.00 -0.02 0.00 0.00 54.58 50.70 2pk2 n ASN 9 Cb 0.00 -0.52 -0.02 0.00 -2.36 0.00 0.00 39.78 36.88 2pk2 n ASN 9 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2pk2 n LYS 10 N -0.97 -0.64 -0.02 -3.83 5.02 -1.26 -4.79 118.16 111.67 2pk2 n LYS 10 Ca 0.34 0.51 -0.00 0.00 -2.02 0.00 0.00 58.31 57.14 2pk2 n LYS 10 Cb 0.88 -4.23 -0.06 0.00 -0.02 0.00 0.00 35.03 31.60 2pk2 n LYS 10 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2pk2 n ARG 11 N -2.20 1.66 0.00 1.97 1.85 -1.26 -4.52 116.66 114.16 2pk2 n ARG 11 Ca -0.04 -0.03 0.13 0.00 -1.00 0.00 0.00 57.85 56.91 2pk2 n ARG 11 Cb 0.23 -1.18 0.37 0.00 -1.05 0.00 0.00 32.46 30.83 2pk2 n ARG 11 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 2pk2 n TRP 12 N -2.04 0.00 -3.92 2.89 7.02 -1.26 -4.71 117.44 115.43 2pk2 n TRP 12 Ca -0.07 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.11 2pk2 n TRP 12 Cb 0.49 -0.02 -0.15 0.00 -2.42 0.00 0.00 31.31 29.21 2pk2 n TRP 12 CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 2pk2 s TYR 13 N -2.09 2.91 0.21 -5.99 4.12 -1.26 -4.10 117.35 111.15 2pk2 s TYR 13 Ca 0.33 -2.40 0.10 0.00 0.02 0.00 0.00 57.07 55.12 2pk2 s TYR 13 Cb 0.20 -2.31 -0.05 0.00 -1.52 0.00 0.00 41.96 38.29 2pk2 s TYR 13 CO 0.36 -0.90 -0.20 -0.59 0.02 0.00 0.00 175.55 174.24 2pk2 s PHE 14 N 1.20 2.10 0.70 2.71 -0.00 -1.26 -4.88 117.98 118.55 2pk2 s PHE 14 Ca 0.07 -0.40 -0.12 0.00 -0.00 0.00 0.00 56.93 56.48 2pk2 s PHE 14 Cb -0.18 -1.00 0.18 0.00 -0.00 0.00 0.00 43.02 42.01 2pk2 s PHE 14 CO -0.13 0.50 0.55 0.25 -0.00 0.00 0.00 175.22 176.38 2pk2 n THR 15 N -0.03 0.00 0.32 -4.49 -2.24 -1.26 -4.80 114.28 101.78 2pk2 n THR 15 Ca -0.10 -0.18 0.17 0.00 -2.27 0.00 0.00 64.05 61.67 2pk2 n THR 15 Cb 0.58 -0.94 0.89 0.00 -2.10 0.00 0.00 70.33 68.76 2pk2 n THR 15 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2pk2 h ARG 16 N 0.00 0.00 -0.98 -0.78 9.65 -2.00 -2.09 114.38 118.17 2pk2 h ARG 16 Ca -0.22 0.00 0.32 0.00 -1.10 0.00 0.00 59.98 58.99 2pk2 h ARG 16 Cb 0.68 0.00 -0.15 0.00 -1.39 0.00 0.00 29.97 29.11 2pk2 h ARG 16 CO 0.14 0.00 0.50 1.49 2.80 0.00 0.00 179.97 184.90 2pk2 h GLU 17 N 0.00 0.24 -0.18 0.20 4.22 -2.00 0.14 114.58 117.21 2pk2 h GLU 17 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.43 2pk2 h GLU 17 Cb 0.45 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2pk2 h GLU 17 CO 0.00 0.16 0.00 1.04 -2.18 0.00 0.00 179.01 178.03 2pk2 n GLN 18 N -5.12 2.71 -0.06 1.92 1.13 -0.79 -3.84 117.38 113.33 2pk2 n GLN 18 Ca 0.31 -2.09 -0.03 0.00 -1.94 0.00 0.00 57.00 53.25 2pk2 n GLN 18 Cb 0.98 -1.32 -0.02 0.00 0.11 0.00 0.00 30.24 30.00 2pk2 n GLN 18 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2pk2 h LEU 19 N 1.08 0.00 0.00 1.08 3.38 -0.72 -3.27 115.31 116.86 2pk2 h LEU 19 Ca 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2pk2 h LEU 19 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2pk2 h LEU 19 CO 0.04 0.62 0.00 1.21 0.09 0.00 0.00 178.44 180.40 2pk2 n GLU 20 N -4.73 0.49 0.00 1.13 0.00 -1.10 -3.58 120.64 112.85 2pk2 n GLU 20 Ca -0.03 0.01 0.12 0.00 0.00 0.00 0.00 57.16 57.26 2pk2 n GLU 20 Cb 0.11 -1.50 0.30 0.00 0.00 0.00 0.00 31.44 30.35 2pk2 n GLU 20 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2pk2 n ASN 21 N -1.25 1.01 -4.46 4.31 2.85 -1.25 -4.51 115.26 111.96 2pk2 n ASN 21 Ca 0.15 -0.82 -0.45 0.00 -0.11 0.00 0.00 54.58 53.35 2pk2 n ASN 21 Cb 0.22 0.22 -0.01 0.00 1.24 0.00 0.00 39.78 41.44 2pk2 n ASN 21 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 2pk2 n SER 22 N -0.79 -0.50 -0.30 1.20 3.41 -1.23 -4.68 113.62 110.73 2pk2 n SER 22 Ca 0.10 1.07 0.10 0.00 -0.26 0.00 0.00 58.87 59.88 2pk2 n SER 22 Cb 0.36 -1.09 0.22 0.00 -0.26 0.00 0.00 64.21 63.44 2pk2 n SER 22 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2pk2 h PRO 23 N 1.20 0.07 0.00 4.33 0.11 -1.80 1.45 132.00 137.36 2pk2 h PRO 23 Ca -0.35 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 2pk2 h PRO 23 Cb 1.40 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.49 2pk2 h PRO 23 CO 0.56 0.05 -0.08 0.77 -0.21 0.00 0.00 178.00 179.08 2pk2 h SER 24 N 0.07 0.00 -0.03 -2.05 0.02 -1.84 0.68 113.55 110.40 2pk2 h SER 24 Ca 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.46 2pk2 h SER 24 Cb 0.97 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.51 2pk2 h SER 24 CO -0.79 0.08 0.00 -1.14 -1.14 0.00 0.00 176.83 173.84 2pk2 n ARG 25 N -3.18 1.26 0.00 3.45 3.00 0.49 -2.61 116.66 119.06 2pk2 n ARG 25 Ca 0.01 -0.38 0.00 0.00 -0.00 0.00 0.00 57.85 57.48 2pk2 n ARG 25 Cb 0.39 -1.42 0.00 0.00 0.00 0.00 0.00 32.46 31.44 2pk2 n ARG 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2pk2 n ARG 26 N -0.48 3.51 -0.20 -0.14 1.74 -0.94 -4.79 116.66 115.37 2pk2 n ARG 26 Ca 0.19 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.24 2pk2 n ARG 26 Cb 0.18 -0.29 0.05 0.00 -1.02 0.00 0.00 32.46 31.38 2pk2 n ARG 26 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2pk2 n PHE 27 N 0.00 0.49 -0.21 -1.55 7.35 0.24 -4.72 117.46 119.06 2pk2 n PHE 27 Ca 0.00 -0.54 0.00 0.00 -0.76 0.00 0.00 57.45 56.15 2pk2 n PHE 27 Cb 0.00 -0.31 0.00 0.00 0.35 0.00 0.00 39.48 39.52 2pk2 n PHE 27 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2pk2 n GLY 28 N 0.17 1.70 2.80 7.13 0.00 -1.26 -4.97 105.19 110.76 2pk2 n GLY 28 Ca 0.09 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 2pk2 n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pk2 s VAL 29 N -2.02 1.03 0.32 1.61 1.01 -1.07 -5.09 120.40 116.19 2pk2 s VAL 29 Ca 0.00 -1.25 -0.27 0.00 0.00 0.00 0.00 61.98 60.46 2pk2 s VAL 29 Cb 0.00 -1.63 -0.14 0.00 0.00 0.00 0.00 36.38 34.61 2pk2 s VAL 29 CO 0.00 -0.45 0.94 -0.67 0.00 0.00 0.00 175.10 174.91 2pk2 n ASP 30 N 4.81 0.94 -0.15 3.32 2.03 -1.26 -4.31 116.55 121.93 2pk2 n ASP 30 Ca -0.05 1.13 0.25 0.00 0.52 0.00 0.00 54.79 56.64 2pk2 n ASP 30 Cb 0.44 -1.26 0.69 0.00 -0.72 0.00 0.00 41.12 40.26 2pk2 n ASP 30 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2pk2 h PRO 31 N 1.75 0.06 0.00 -0.67 0.11 -1.90 0.63 132.00 131.98 2pk2 h PRO 31 Ca -0.40 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.71 2pk2 h PRO 31 Cb 1.35 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.45 2pk2 h PRO 31 CO 0.59 0.04 -0.01 0.22 -0.21 0.00 0.00 178.00 178.62 2pk2 h ASP 32 N 0.06 0.00 -1.50 -2.05 3.58 -2.02 -3.01 116.42 111.48 2pk2 h ASP 32 Ca 0.39 0.00 -0.68 0.00 0.42 0.00 0.00 57.03 57.17 2pk2 h ASP 32 Cb 1.48 0.00 -0.33 0.00 1.72 0.00 0.00 39.33 42.19 2pk2 h ASP 32 CO -0.03 0.01 0.32 1.17 -2.88 0.00 0.00 179.24 177.83 2pk2 n LYS 33 N -3.17 3.03 0.00 0.28 3.00 0.22 -4.52 118.16 117.00 2pk2 n LYS 33 Ca -0.02 -3.81 0.00 0.00 -0.00 0.00 0.00 58.31 54.48 2pk2 n LYS 33 Cb 0.15 -2.27 0.00 0.00 0.00 0.00 0.00 35.03 32.91 2pk2 n LYS 33 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2pk2 n GLU 34 N -0.63 0.00 -0.02 1.64 1.02 -1.14 -4.53 120.64 116.99 2pk2 n GLU 34 Ca 0.51 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.70 2pk2 n GLU 34 Cb 0.53 -0.50 0.29 0.00 -0.02 0.00 0.00 31.44 31.73 2pk2 n GLU 34 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2pk2 n LEU 35 N -1.67 0.25 -0.04 -4.62 7.99 -1.26 -1.05 117.00 116.59 2pk2 n LEU 35 Ca 0.00 -0.11 -0.05 0.00 -0.01 0.00 0.00 56.01 55.84 2pk2 n LEU 35 Cb 0.04 -0.02 -0.07 0.00 -0.11 0.00 0.00 43.42 43.27 2pk2 n LEU 35 CO 0.00 0.06 -0.79 -1.54 -1.51 0.00 0.00 177.39 173.60 2pk2 n SER 36 N -0.50 2.91 -0.02 -1.43 3.41 -1.26 -4.16 113.62 112.57 2pk2 n SER 36 Ca 0.08 -0.01 -0.16 0.00 -0.26 0.00 0.00 58.87 58.53 2pk2 n SER 36 Cb 0.07 0.57 -0.11 0.00 -0.26 0.00 0.00 64.21 64.49 2pk2 n SER 36 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 2pk2 h TYR 37 N 0.00 0.44 0.15 7.33 -1.99 -1.75 -2.96 116.97 118.18 2pk2 h TYR 37 Ca -0.24 -0.22 -0.01 0.00 2.00 0.00 0.00 58.73 60.26 2pk2 h TYR 37 Cb 1.51 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 40.18 2pk2 h TYR 37 CO 0.00 1.01 -0.07 0.00 -0.00 0.00 0.00 178.16 179.10 2pk2 h ARG 38 N -0.25 -0.19 -0.39 4.88 3.08 -1.35 -2.71 114.38 117.45 2pk2 h ARG 38 Ca -0.04 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.06 2pk2 h ARG 38 Cb 1.09 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 31.14 2pk2 h ARG 38 CO 0.08 -0.13 -0.23 1.96 -1.07 0.00 0.00 179.97 180.58 2pk2 h GLN 39 N -0.21 -0.00 -0.78 0.04 4.20 -1.74 0.71 115.11 117.33 2pk2 h GLN 39 Ca -0.02 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.76 2pk2 h GLN 39 Cb 0.15 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.84 2pk2 h GLN 39 CO 0.03 -0.00 -0.46 0.94 -0.67 0.00 0.00 178.83 178.67 2pk2 n GLN 40 N -3.87 -0.34 0.30 1.46 7.27 -1.12 0.18 117.38 121.26 2pk2 n GLN 40 Ca 0.01 1.40 0.18 0.00 0.07 0.00 0.00 57.00 58.65 2pk2 n GLN 40 Cb 0.10 -2.06 0.92 0.00 2.41 0.00 0.00 30.24 31.61 2pk2 n GLN 40 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2pk2 h ALA 41 N 0.18 1.12 -0.01 1.69 0.00 -1.07 0.24 119.26 121.41 2pk2 h ALA 41 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2pk2 h ALA 41 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2pk2 h ALA 41 CO -0.74 0.04 -0.13 0.00 0.00 0.00 0.00 179.25 178.43 2pk2 n ALA 42 N -2.16 2.82 0.02 0.00 0.00 0.49 -3.46 120.51 118.22 2pk2 n ALA 42 Ca -0.02 -0.35 0.02 0.00 0.00 0.00 0.00 53.44 53.09 2pk2 n ALA 42 Cb 0.18 -1.24 -0.10 0.00 0.00 0.00 0.00 19.45 18.30 2pk2 n ALA 42 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2pk2 n ASN 43 N -0.58 0.61 0.12 0.00 5.03 0.46 -3.73 115.26 117.18 2pk2 n ASN 43 Ca 0.15 0.26 0.05 0.00 0.87 0.00 0.00 54.58 55.92 2pk2 n ASN 43 Cb 0.31 0.58 0.01 0.00 -1.02 0.00 0.00 39.78 39.66 2pk2 n ASN 43 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 2pk2 h LEU 44 N 0.00 0.00 0.31 3.41 -0.00 -1.59 -3.17 115.31 114.27 2pk2 h LEU 44 Ca -0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.70 2pk2 h LEU 44 Cb 1.52 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.17 2pk2 h LEU 44 CO 0.03 0.35 -0.23 -0.07 -0.00 0.00 0.00 178.44 178.52 2pk2 h LEU 45 N 0.00 -0.58 0.00 1.67 3.38 -1.67 2.16 115.31 120.27 2pk2 h LEU 45 Ca -0.05 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2pk2 h LEU 45 Cb 1.31 0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.24 2pk2 h LEU 45 CO 0.04 -0.35 0.00 1.67 0.09 0.00 0.00 178.44 179.89 2pk2 n GLN 46 N -5.35 0.70 0.08 1.13 -0.06 -1.24 -0.68 117.38 111.95 2pk2 n GLN 46 Ca -0.09 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.91 2pk2 n GLN 46 Cb 0.26 -1.42 0.00 0.00 -4.06 0.00 0.00 30.24 25.02 2pk2 n GLN 46 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2pk2 n ASP 47 N -0.92 0.66 0.29 1.69 8.00 -0.86 -3.86 116.55 121.56 2pk2 n ASP 47 Ca 0.14 0.25 0.17 0.00 0.71 0.00 0.00 54.79 56.07 2pk2 n ASP 47 Cb 0.06 -0.08 0.89 0.00 -0.02 0.00 0.00 41.12 41.98 2pk2 n ASP 47 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 2pk2 h MET 48 N 0.00 0.00 0.04 -1.24 4.05 0.34 -2.42 114.93 115.70 2pk2 h MET 48 Ca 0.00 0.00 -0.19 0.00 -0.28 0.00 0.00 59.70 59.23 2pk2 h MET 48 Cb 0.02 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.81 2pk2 h MET 48 CO 0.00 0.05 -1.02 0.78 0.23 0.00 0.00 176.91 176.94 2pk2 h GLY 49 N 0.79 0.10 -5.95 1.39 0.00 -0.66 -3.39 103.07 95.35 2pk2 h GLY 49 Ca -0.00 -0.25 -0.37 0.00 0.00 0.00 0.00 47.33 46.71 2pk2 h GLY 49 CO 0.01 0.22 2.06 -1.06 0.00 0.00 0.00 176.54 177.76 2pk2 n GLN 50 N -4.29 1.28 0.14 4.80 6.02 -0.91 -3.25 117.38 121.17 2pk2 n GLN 50 Ca -0.25 -1.28 0.00 0.00 -0.01 0.00 0.00 57.00 55.46 2pk2 n GLN 50 Cb 0.71 -2.46 0.00 0.00 1.02 0.00 0.00 30.24 29.52 2pk2 n GLN 50 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2pk2 n ARG 51 N 5.37 0.00 -1.01 -1.09 1.74 -1.24 -4.75 116.66 115.68 2pk2 n ARG 51 Ca 0.36 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.31 2pk2 n ARG 51 Cb 0.19 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.46 2pk2 n ARG 51 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 2pk2 n LEU 52 N -3.19 5.35 -2.48 0.55 -0.00 -1.20 -4.63 117.00 111.40 2pk2 n LEU 52 Ca 0.00 -3.21 -0.09 0.00 -0.00 0.00 0.00 56.01 52.71 2pk2 n LEU 52 Cb 0.00 -1.42 -0.00 0.00 -0.00 0.00 0.00 43.42 42.00 2pk2 n LEU 52 CO 0.00 1.70 -0.11 -3.20 -0.00 0.00 0.00 177.39 175.79 2pk2 n ASN 53 N 2.54 -3.01 -4.65 1.45 5.15 -1.26 -4.84 115.26 110.65 2pk2 n ASN 53 Ca 0.44 0.27 -0.44 0.00 -0.60 0.00 0.00 54.58 54.26 2pk2 n ASN 53 Cb 0.89 -2.60 -0.03 0.00 -0.53 0.00 0.00 39.78 37.50 2pk2 n ASN 53 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 2pk2 n VAL 54 N -3.13 0.66 -0.58 3.44 0.31 -1.24 -4.94 118.33 112.85 2pk2 n VAL 54 Ca -0.10 -0.19 -0.30 0.00 -0.01 0.00 0.00 64.34 63.74 2pk2 n VAL 54 Cb 0.58 -2.27 0.21 0.00 -0.91 0.00 0.00 33.84 31.44 2pk2 n VAL 54 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2pk2 s SER 55 N 5.13 1.86 0.36 4.52 1.04 -1.26 -4.76 113.70 120.59 2pk2 s SER 55 Ca 0.92 1.90 0.04 0.00 0.48 0.00 0.00 55.95 59.29 2pk2 s SER 55 Cb -0.47 -2.46 0.70 0.00 0.10 0.00 0.00 66.02 63.88 2pk2 s SER 55 CO 0.43 -3.72 1.99 -0.61 0.98 0.00 0.00 173.24 172.31 2pk2 h GLN 56 N -2.29 0.77 -0.93 4.02 5.75 -2.00 -0.77 115.11 119.67 2pk2 h GLN 56 Ca -0.52 -0.05 0.15 0.00 -0.15 0.00 0.00 58.65 58.09 2pk2 h GLN 56 Cb 1.30 -0.17 -0.16 0.00 1.07 0.00 0.00 27.48 29.52 2pk2 h GLN 56 CO 0.45 0.51 -0.35 1.25 -2.65 0.00 0.00 178.83 178.04 2pk2 h LEU 57 N 0.79 -1.29 -0.42 -2.39 7.12 -2.00 0.77 115.31 117.89 2pk2 h LEU 57 Ca 0.27 0.29 0.00 0.00 0.13 0.00 0.00 57.88 58.57 2pk2 h LEU 57 Cb 0.09 0.70 0.00 0.00 -0.53 0.00 0.00 40.66 40.91 2pk2 h LEU 57 CO -0.08 -0.30 0.00 0.74 -0.13 0.00 0.00 178.44 178.68 2pk2 h THR 58 N -0.03 0.00 0.16 1.05 2.02 -1.48 -3.06 112.91 111.58 2pk2 h THR 58 Ca 0.35 -0.57 -0.33 0.00 0.77 0.00 0.00 66.41 66.63 2pk2 h THR 58 Cb 0.61 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 2pk2 h THR 58 CO -0.94 0.00 -1.64 0.40 0.37 0.00 0.00 175.52 173.70 2pk2 h ILE 59 N 0.00 1.05 0.13 3.11 2.04 -0.27 -3.34 117.51 120.22 2pk2 h ILE 59 Ca 0.00 -2.65 -0.29 0.00 1.00 0.00 0.00 64.86 62.92 2pk2 h ILE 59 Cb 0.68 2.77 0.03 0.00 -0.74 0.00 0.00 36.82 39.57 2pk2 h ILE 59 CO 0.00 0.83 -1.22 0.78 0.00 0.00 0.00 178.15 178.54 2pk2 h ASN 60 N 0.09 0.85 -1.01 1.72 2.35 -1.39 -2.65 115.58 115.56 2pk2 h ASN 60 Ca -0.30 -0.83 0.23 0.00 -0.55 0.00 0.00 56.30 54.85 2pk2 h ASN 60 Cb 2.07 -0.27 -0.10 0.00 0.05 0.00 0.00 38.32 40.07 2pk2 h ASN 60 CO 0.18 1.60 0.62 0.74 -1.65 0.00 0.00 177.43 178.92 2pk2 h THR 61 N 0.23 0.60 -0.00 2.81 2.02 -1.71 0.79 112.91 117.64 2pk2 h THR 61 Ca -0.19 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.80 2pk2 h THR 61 Cb 1.90 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 2pk2 h THR 61 CO 0.23 0.10 -0.30 0.00 0.37 0.00 0.00 175.52 175.92 2pk2 n ALA 62 N -2.39 3.12 0.34 6.16 0.00 -1.21 -1.96 120.51 124.57 2pk2 n ALA 62 Ca 0.25 -0.30 0.12 0.00 0.00 0.00 0.00 53.44 53.51 2pk2 n ALA 62 Cb 0.73 -1.22 0.17 0.00 0.00 0.00 0.00 19.45 19.13 2pk2 n ALA 62 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2pk2 h ILE 63 N 0.27 0.00 0.00 0.00 1.08 0.95 -3.19 117.51 116.62 2pk2 h ILE 63 Ca 0.00 -0.79 0.00 0.00 -0.39 0.00 0.00 64.86 63.68 2pk2 h ILE 63 Cb 0.48 1.57 0.00 0.00 -3.07 0.00 0.00 36.82 35.80 2pk2 h ILE 63 CO 0.00 0.00 -0.73 0.52 -0.69 0.00 0.00 178.15 177.25 2pk2 n VAL 64 N -2.62 0.00 1.47 1.67 0.31 -0.71 -3.51 118.33 114.94 2pk2 n VAL 64 Ca 0.03 -0.23 0.04 0.00 -0.01 0.00 0.00 64.34 64.17 2pk2 n VAL 64 Cb 0.50 0.86 0.14 0.00 -0.91 0.00 0.00 33.84 34.43 2pk2 n VAL 64 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2pk2 n TYR 65 N -1.39 0.21 0.01 3.52 4.02 -0.83 -2.30 117.16 120.41 2pk2 n TYR 65 Ca 0.01 -0.11 0.00 0.00 -0.01 0.00 0.00 57.90 57.80 2pk2 n TYR 65 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.52 2pk2 n TYR 65 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 176.86 175.73 2pk2 n MET 66 N -0.02 0.00 0.05 -0.72 0.00 -1.23 -4.32 117.12 110.87 2pk2 n MET 66 Ca 0.07 0.00 -0.12 0.00 -0.00 0.00 0.00 57.70 57.66 2pk2 n MET 66 Cb 0.16 -0.29 -0.07 0.00 0.00 0.00 0.00 33.22 33.02 2pk2 n MET 66 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2pk2 h HIS 67 N 0.00 -1.16 -0.03 1.12 3.86 -1.67 0.22 115.15 117.48 2pk2 h HIS 67 Ca 0.00 0.04 -0.14 0.00 -1.16 0.00 0.00 60.37 59.11 2pk2 h HIS 67 Cb 0.52 0.51 -0.02 0.00 1.06 0.00 0.00 27.41 29.48 2pk2 h HIS 67 CO 0.00 -0.43 -0.62 0.07 0.86 0.00 0.00 177.93 177.81 2pk2 h ARG 68 N -0.51 0.12 -0.24 2.45 0.11 -1.75 -1.22 114.38 113.34 2pk2 h ARG 68 Ca 0.01 -0.08 -0.03 0.00 0.10 0.00 0.00 59.98 59.97 2pk2 h ARG 68 Cb 0.54 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.62 2pk2 h ARG 68 CO -0.26 0.70 0.02 0.35 0.10 0.00 0.00 179.97 180.88 2pk2 h PHE 69 N 0.08 0.45 0.00 4.08 3.57 -1.61 -1.74 116.94 121.77 2pk2 h PHE 69 Ca -0.01 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.42 2pk2 h PHE 69 Cb 1.12 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.74 2pk2 h PHE 69 CO 0.01 0.56 0.00 0.66 -2.23 0.00 0.00 178.31 177.32 2pk2 n TYR 70 N -4.66 0.00 -0.32 0.41 4.01 0.75 -1.39 117.16 115.96 2pk2 n TYR 70 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 2pk2 n TYR 70 Cb 0.22 -0.50 0.14 0.00 -0.31 0.00 0.00 39.34 38.89 2pk2 n TYR 70 CO 0.00 0.00 0.00 0.52 -0.46 0.00 0.00 176.86 176.92 2pk2 h MET 71 N 0.00 0.98 0.00 -0.72 2.86 -0.27 -2.81 114.93 114.97 2pk2 h MET 71 Ca 0.00 -0.06 -0.20 0.00 -2.06 0.00 0.00 59.70 57.38 2pk2 h MET 71 Cb 0.38 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 31.78 2pk2 h MET 71 CO 0.00 0.65 -1.89 0.44 1.06 0.00 0.00 176.91 177.17 2pk2 n ILE 72 N -4.59 1.00 -2.77 -1.22 -5.35 -1.06 -4.14 119.36 101.24 2pk2 n ILE 72 Ca 0.12 -0.71 0.00 0.00 -0.27 0.00 0.00 62.75 61.89 2pk2 n ILE 72 Cb 0.16 -0.49 0.00 0.00 -1.74 0.00 0.00 39.64 37.57 2pk2 n ILE 72 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2pk2 n GLN 73 N -2.70 1.07 -4.12 6.28 1.13 -0.49 -4.85 117.38 113.70 2pk2 n GLN 73 Ca -0.17 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.81 2pk2 n GLN 73 Cb 0.90 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 31.15 2pk2 n GLN 73 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2pk2 s SER 74 N -1.00 0.40 0.13 1.08 1.04 -1.26 -4.34 113.70 109.75 2pk2 s SER 74 Ca 0.00 -1.09 0.22 0.00 0.48 0.00 0.00 55.95 55.55 2pk2 s SER 74 Cb 0.00 0.25 -0.09 0.00 0.10 0.00 0.00 66.02 66.27 2pk2 s SER 74 CO 0.00 -0.66 0.88 0.49 0.98 0.00 0.00 173.24 174.93 2pk2 n PHE 75 N 0.01 0.74 0.64 5.02 3.72 -1.26 -3.79 117.46 122.55 2pk2 n PHE 75 Ca -0.10 0.22 0.07 0.00 -0.05 0.00 0.00 57.45 57.59 2pk2 n PHE 75 Cb 0.62 -0.87 0.36 0.00 -0.94 0.00 0.00 39.48 38.65 2pk2 n PHE 75 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 2pk2 n THR 76 N -2.60 0.72 -2.75 4.37 5.66 -1.26 -3.18 114.28 115.24 2pk2 n THR 76 Ca -0.02 0.18 -0.01 0.00 -3.05 0.00 0.00 64.05 61.15 2pk2 n THR 76 Cb 0.59 -0.93 0.09 0.00 -1.55 0.00 0.00 70.33 68.54 2pk2 n THR 76 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2pk2 n ARG 77 N -1.37 1.53 -3.64 1.09 1.74 -1.26 -5.10 116.66 109.65 2pk2 n ARG 77 Ca 0.06 -2.27 -0.04 0.00 -0.77 0.00 0.00 57.85 54.83 2pk2 n ARG 77 Cb 0.14 -0.51 -0.07 0.00 -1.02 0.00 0.00 32.46 31.01 2pk2 n ARG 77 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2pk2 s PHE 78 N -1.66 -0.74 -0.80 -1.55 0.08 -1.19 -4.95 117.98 107.17 2pk2 s PHE 78 Ca 0.17 1.47 -0.26 0.00 0.12 0.00 0.00 56.93 58.44 2pk2 s PHE 78 Cb 0.39 0.44 -0.10 0.00 -0.57 0.00 0.00 43.02 43.18 2pk2 s PHE 78 CO -0.09 -0.37 2.25 -2.14 -0.10 0.00 0.00 175.22 174.78 2pk2 s PRO 79 N 1.48 1.95 0.02 0.24 0.02 -1.26 -4.69 135.00 132.77 2pk2 s PRO 79 Ca -0.09 0.33 -0.13 0.00 0.02 0.00 0.00 61.00 61.13 2pk2 s PRO 79 Cb -0.04 -4.84 -0.07 0.00 0.02 0.00 0.00 34.50 29.57 2pk2 s PRO 79 CO -0.17 -3.99 1.20 0.78 -0.33 0.00 0.00 177.00 174.49 2pk2 h GLY 80 N 20.76 -0.66 0.49 0.52 0.00 -1.93 1.46 103.07 123.71 2pk2 h GLY 80 Ca 0.00 0.27 0.21 0.00 0.00 0.00 0.00 47.33 47.81 2pk2 h GLY 80 CO 1.08 -0.23 0.54 3.43 0.00 0.00 0.00 176.54 181.37 2pk2 h ASN 81 N -0.43 0.09 -0.63 0.19 2.35 -1.93 1.44 115.58 116.66 2pk2 h ASN 81 Ca -0.04 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2pk2 h ASN 81 Cb 0.34 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.70 2pk2 h ASN 81 CO 0.04 0.04 0.00 -1.20 -1.65 0.00 0.00 177.43 174.66 2pk2 n SER 82 N -4.36 5.01 -0.07 5.81 7.64 -1.05 -4.12 113.62 122.48 2pk2 n SER 82 Ca 0.16 -2.57 -0.10 0.00 1.01 0.00 0.00 58.87 57.36 2pk2 n SER 82 Cb 0.78 -0.61 -0.15 0.00 -1.01 0.00 0.00 64.21 63.22 2pk2 n SER 82 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2pk2 n VAL 83 N 0.98 1.50 -0.35 0.44 0.31 0.50 -4.24 118.33 117.47 2pk2 n VAL 83 Ca 0.26 -0.81 0.08 0.00 -0.01 0.00 0.00 64.34 63.87 2pk2 n VAL 83 Cb 0.97 -0.80 0.18 0.00 -0.91 0.00 0.00 33.84 33.28 2pk2 n VAL 83 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pk2 n ALA 84 N -2.72 0.31 -0.27 3.52 0.00 -1.07 0.18 120.51 120.47 2pk2 n ALA 84 Ca -0.27 1.09 0.25 0.00 0.00 0.00 0.00 53.44 54.50 2pk2 n ALA 84 Cb 1.10 -0.69 0.60 0.00 0.00 0.00 0.00 19.45 20.46 2pk2 n ALA 84 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2pk2 h PRO 85 N 0.00 0.24 0.25 0.00 0.13 -1.84 1.45 132.00 132.23 2pk2 h PRO 85 Ca 0.51 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.61 2pk2 h PRO 85 Cb 0.85 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2pk2 h PRO 85 CO -1.00 0.16 -0.12 0.00 -0.23 0.00 0.00 178.00 176.80 2pk2 h ALA 86 N 1.57 -0.34 -0.14 -0.56 0.00 0.17 0.57 119.26 120.54 2pk2 h ALA 86 Ca 0.52 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 2pk2 h ALA 86 Cb 1.59 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 2pk2 h ALA 86 CO -0.15 -0.40 0.05 0.00 0.00 0.00 0.00 179.25 178.75 2pk2 h ALA 87 N -0.52 1.84 -0.02 0.00 0.00 -0.57 -1.54 119.26 118.46 2pk2 h ALA 87 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2pk2 h ALA 87 Cb 0.50 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2pk2 h ALA 87 CO 0.06 0.13 -0.16 1.28 0.00 0.00 0.00 179.25 180.56 2pk2 n LEU 88 N -4.48 1.88 -0.03 0.00 4.32 0.49 -1.93 117.00 117.25 2pk2 n LEU 88 Ca -0.01 -0.62 -0.20 0.00 -0.02 0.00 0.00 56.01 55.15 2pk2 n LEU 88 Cb 0.11 -0.03 -0.13 0.00 -1.62 0.00 0.00 43.42 41.75 2pk2 n LEU 88 CO 0.35 0.33 -0.34 0.15 -1.22 0.00 0.00 177.39 176.65 2pk2 h PHE 89 N 2.70 0.27 -0.06 -1.77 3.57 0.12 -2.92 116.94 118.84 2pk2 h PHE 89 Ca 0.00 -0.20 -0.24 0.00 3.53 0.00 0.00 57.97 61.06 2pk2 h PHE 89 Cb 0.68 -0.01 0.01 0.00 2.79 0.00 0.00 35.95 39.43 2pk2 h PHE 89 CO 0.00 1.46 -0.92 1.25 -2.23 0.00 0.00 178.31 177.88 2pk2 h LEU 90 N -0.57 0.86 0.49 0.59 5.85 -1.64 -1.91 115.31 118.98 2pk2 h LEU 90 Ca -0.28 -0.63 -0.02 0.00 0.84 0.00 0.00 57.88 57.79 2pk2 h LEU 90 Cb 1.54 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.32 2pk2 h LEU 90 CO -0.02 1.43 -0.25 0.00 -0.34 0.00 0.00 178.44 179.26 2pk2 h ALA 91 N 0.53 -1.16 -0.30 1.25 0.00 -1.56 1.45 119.26 119.47 2pk2 h ALA 91 Ca -0.09 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.73 2pk2 h ALA 91 Cb 1.56 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 2pk2 h ALA 91 CO 0.18 -1.12 0.21 0.00 0.00 0.00 0.00 179.25 178.52 2pk2 h ALA 92 N -1.63 2.12 0.10 0.00 0.00 -1.65 -1.20 119.26 117.00 2pk2 h ALA 92 Ca -0.07 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.65 2pk2 h ALA 92 Cb 0.53 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.31 2pk2 h ALA 92 CO 0.10 -0.19 -0.86 1.57 0.00 0.00 0.00 179.25 179.87 2pk2 h LYS 93 N 0.13 0.22 0.01 0.00 2.10 -1.21 -2.17 116.57 115.64 2pk2 h LYS 93 Ca 0.14 -0.37 0.02 0.00 -2.00 0.00 0.00 60.65 58.44 2pk2 h LYS 93 Cb 0.38 0.14 -0.05 0.00 -0.90 0.00 0.00 32.23 31.80 2pk2 h LYS 93 CO -0.02 1.18 -0.47 0.28 -2.00 0.00 0.00 179.45 178.42 2pk2 h VAL 94 N -0.50 0.00 -3.81 0.07 2.07 0.24 -3.37 116.25 110.95 2pk2 h VAL 94 Ca -0.17 0.00 -0.55 0.00 0.82 0.00 0.00 66.70 66.79 2pk2 h VAL 94 Cb 1.54 0.00 0.18 0.00 -1.52 0.00 0.00 31.29 31.49 2pk2 h VAL 94 CO 0.08 0.00 0.15 1.21 0.02 0.00 0.00 177.57 179.03 2pk2 n GLU 95 N -5.06 0.55 -0.52 1.57 4.07 -0.49 -4.79 120.64 115.98 2pk2 n GLU 95 Ca -0.06 0.25 0.43 0.00 -0.06 0.00 0.00 57.16 57.71 2pk2 n GLU 95 Cb 0.35 -2.26 0.70 0.00 -0.06 0.00 0.00 31.44 30.17 2pk2 n GLU 95 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2pk2 n GLU 96 N -1.90 -0.03 -3.47 5.31 -0.58 -1.26 -3.50 120.64 115.21 2pk2 n GLU 96 Ca 0.13 1.22 -0.43 0.00 -0.42 0.00 0.00 57.16 57.66 2pk2 n GLU 96 Cb 0.49 -2.47 -0.05 0.00 -0.57 0.00 0.00 31.44 28.84 2pk2 n GLU 96 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 2pk2 s GLN 97 N -5.17 3.07 0.85 3.49 -2.07 -1.26 -5.06 119.66 113.51 2pk2 s GLN 97 Ca -0.07 -2.27 -0.10 0.00 -1.82 0.00 0.00 55.36 51.09 2pk2 s GLN 97 Cb 0.30 -4.15 0.15 0.00 -1.09 0.00 0.00 33.01 28.22 2pk2 s GLN 97 CO 0.83 -1.25 1.18 -1.25 -1.32 0.00 0.00 175.29 173.48 2pk2 s PRO 98 N 0.47 1.27 0.00 9.60 0.04 -0.81 -4.35 135.00 141.22 2pk2 s PRO 98 Ca 0.14 -0.50 0.00 0.00 0.04 0.00 0.00 61.00 60.68 2pk2 s PRO 98 Cb -0.18 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2pk2 s PRO 98 CO -0.05 -1.91 0.00 1.17 0.04 0.00 0.00 177.00 176.25 2pk2 n LYS 99 N -3.36 0.04 -1.82 4.56 3.00 -1.26 -4.89 118.16 114.42 2pk2 n LYS 99 Ca 0.13 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.40 2pk2 n LYS 99 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.63 2pk2 n LYS 99 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2pk2 n LYS 100 N 0.00 1.28 0.18 1.64 4.76 -1.26 -5.03 118.16 119.73 2pk2 n LYS 100 Ca 0.00 -0.61 0.10 0.00 -2.87 0.00 0.00 58.31 54.93 2pk2 n LYS 100 Cb 0.00 0.05 0.11 0.00 -1.84 0.00 0.00 35.03 33.35 2pk2 n LYS 100 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2pk2 h LEU 101 N 0.00 0.00 0.00 -0.35 3.38 -2.03 -3.39 115.31 112.92 2pk2 h LEU 101 Ca -0.06 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.65 2pk2 h LEU 101 Cb 0.23 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 2pk2 h LEU 101 CO 0.09 0.10 -1.96 1.21 0.09 0.00 0.00 178.44 177.97 2pk2 n GLU 102 N -3.04 0.41 -0.36 1.13 4.07 -1.26 -4.42 120.64 117.18 2pk2 n GLU 102 Ca 0.02 0.11 0.30 0.00 -0.06 0.00 0.00 57.16 57.53 2pk2 n GLU 102 Cb 0.58 -1.30 0.56 0.00 -0.06 0.00 0.00 31.44 31.21 2pk2 n GLU 102 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2pk2 h HIS 103 N -0.12 0.79 -0.61 4.31 3.86 -1.98 1.71 115.15 123.11 2pk2 h HIS 103 Ca -0.39 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.86 2pk2 h HIS 103 Cb 1.55 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 29.82 2pk2 h HIS 103 CO 0.01 -0.27 0.00 1.33 0.86 0.00 0.00 177.93 179.86 2pk2 n VAL 104 N -5.01 1.32 0.00 2.45 0.24 -1.26 -4.19 118.33 111.88 2pk2 n VAL 104 Ca 0.35 -1.10 0.00 0.00 -2.04 0.00 0.00 64.34 61.55 2pk2 n VAL 104 Cb 1.19 0.35 0.00 0.00 -1.47 0.00 0.00 33.84 33.91 2pk2 n VAL 104 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2pk2 n ILE 105 N 1.17 0.00 -0.06 1.34 -0.00 0.50 -4.44 119.36 117.87 2pk2 n ILE 105 Ca 0.22 -0.15 -0.21 0.00 -0.00 0.00 0.00 62.75 62.61 2pk2 n ILE 105 Cb 0.68 0.63 -0.13 0.00 -0.00 0.00 0.00 39.64 40.82 2pk2 n ILE 105 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.55 177.05 2pk2 h LYS 106 N 0.00 0.09 0.00 0.38 3.64 0.84 -3.32 116.57 118.21 2pk2 h LYS 106 Ca 0.00 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.20 2pk2 h LYS 106 Cb 0.00 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2pk2 h LYS 106 CO 0.00 1.08 -0.09 0.28 -2.27 0.00 0.00 179.45 178.45 2pk2 h VAL 107 N -0.69 0.54 -0.21 2.00 2.07 -1.78 -1.59 116.25 116.59 2pk2 h VAL 107 Ca -0.31 -0.40 0.06 0.00 0.82 0.00 0.00 66.70 66.87 2pk2 h VAL 107 Cb 1.48 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 32.45 2pk2 h VAL 107 CO -0.08 0.09 -0.18 0.00 0.02 0.00 0.00 177.57 177.41 2pk2 h ALA 108 N 1.91 -0.05 -0.52 1.67 0.00 -1.78 0.48 119.26 120.97 2pk2 h ALA 108 Ca -0.00 0.08 0.15 0.00 0.00 0.00 0.00 54.91 55.13 2pk2 h ALA 108 Cb 0.25 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2pk2 h ALA 108 CO 0.01 -0.61 0.42 1.25 0.00 0.00 0.00 179.25 180.32 2pk2 h HIS 109 N -0.19 0.00 0.26 0.00 6.17 -1.38 1.49 115.15 121.50 2pk2 h HIS 109 Ca 0.13 0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.19 2pk2 h HIS 109 Cb 0.38 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.31 2pk2 h HIS 109 CO -0.33 0.00 -0.13 1.15 0.71 0.00 0.00 177.93 179.33 2pk2 h THR 110 N 0.00 0.00 -0.27 6.26 2.02 -0.08 -0.47 112.91 120.37 2pk2 h THR 110 Ca 0.25 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 67.18 2pk2 h THR 110 Cb 1.09 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 2pk2 h THR 110 CO -0.00 0.00 0.02 0.00 0.37 0.00 0.00 175.52 175.91 2pk2 h LEU 112 N 0.40 0.00 -7.55 0.00 -0.00 0.19 -3.41 115.31 104.94 2pk2 h LEU 112 Ca 0.09 -0.06 -0.78 0.00 -0.00 0.00 0.00 57.88 57.14 2pk2 h LEU 112 Cb 0.23 0.00 -0.29 0.00 -0.00 0.00 0.00 40.66 40.60 2pk2 h LEU 112 CO 0.00 0.69 0.28 -1.00 -0.00 0.00 0.00 178.44 178.41 2pk2 s HIS 113 N -1.96 4.12 -1.78 1.13 3.76 -0.19 -4.89 115.29 115.48 2pk2 s HIS 113 Ca -0.10 -2.68 0.00 0.00 -0.15 0.00 0.00 55.06 52.14 2pk2 s HIS 113 Cb 0.01 -3.70 0.00 0.00 1.11 0.00 0.00 32.58 30.00 2pk2 s HIS 113 CO 0.16 -0.91 0.76 -0.35 -0.85 0.00 0.00 174.74 173.55 2pk2 n PRO 114 N 2.80 0.85 0.00 8.40 -0.04 -1.14 -3.77 135.00 142.11 2pk2 n PRO 114 Ca 0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 2pk2 n PRO 114 Cb 0.40 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 2pk2 n PRO 114 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2pk2 n GLN 115 N -0.38 0.00 -1.14 0.54 6.02 -1.26 -5.11 117.38 116.06 2pk2 n GLN 115 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.63 2pk2 n GLN 115 Cb 0.05 -0.41 0.05 0.00 1.02 0.00 0.00 30.24 30.95 2pk2 n GLN 115 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2pk2 n GLU 116 N -1.67 0.08 -0.81 -1.09 4.07 -1.25 -4.94 120.64 115.03 2pk2 n GLU 116 Ca 0.00 0.05 -0.30 0.00 -0.06 0.00 0.00 57.16 56.85 2pk2 n GLU 116 Cb 0.00 -1.40 0.25 0.00 -0.06 0.00 0.00 31.44 30.23 2pk2 n GLU 116 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 2pk2 s SER 117 N -1.28 0.64 0.63 4.31 1.04 -1.26 -4.97 113.70 112.80 2pk2 s SER 117 Ca 0.55 0.93 -0.18 0.00 0.48 0.00 0.00 55.95 57.73 2pk2 s SER 117 Cb -0.32 -1.37 -0.02 0.00 0.10 0.00 0.00 66.02 64.41 2pk2 s SER 117 CO 0.68 -4.33 1.23 -0.76 0.98 0.00 0.00 173.24 171.04 2pk2 s LEU 118 N -7.16 3.58 0.00 2.42 2.01 -1.26 -5.05 118.68 113.22 2pk2 s LEU 118 Ca 0.69 2.43 0.03 0.00 0.01 0.00 0.00 54.13 57.29 2pk2 s LEU 118 Cb -0.15 -4.60 0.12 0.00 0.01 0.00 0.00 46.19 41.58 2pk2 s LEU 118 CO 0.58 -1.80 0.91 -0.81 1.01 0.00 0.00 176.35 176.25 2pk2 n PRO 119 N -1.86 0.16 -3.52 1.29 -0.04 -1.26 -5.14 135.00 124.63 2pk2 n PRO 119 Ca 0.14 -2.82 -0.15 0.00 -0.04 0.00 0.00 63.50 60.63 2pk2 n PRO 119 Cb 0.49 -0.50 -0.05 0.00 -0.04 0.00 0.00 33.50 33.41 2pk2 n PRO 119 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2pk2 s ASP 120 N -4.83 -0.54 0.33 3.54 3.68 -1.26 -4.99 116.67 112.60 2pk2 s ASP 120 Ca 0.63 0.29 0.17 0.00 2.13 0.00 0.00 52.55 55.77 2pk2 s ASP 120 Cb -0.04 0.53 0.30 0.00 -1.45 0.00 0.00 42.92 42.26 2pk2 s ASP 120 CO 0.41 -0.75 1.55 0.00 0.13 0.00 0.00 175.17 176.51 2pk2 h THR 121 N 2.65 0.77 0.02 1.71 1.03 -1.96 -3.30 112.91 113.83 2pk2 h THR 121 Ca -0.31 -1.89 -0.36 0.00 -0.01 0.00 0.00 66.41 63.85 2pk2 h THR 121 Cb 1.22 2.23 -0.06 0.00 -1.07 0.00 0.00 68.15 70.47 2pk2 h THR 121 CO 0.40 0.41 -2.20 -2.11 -0.01 0.00 0.00 175.52 172.01 2pk2 n ARG 122 N -3.28 0.68 -0.91 0.00 1.85 -1.26 -4.87 116.66 108.86 2pk2 n ARG 122 Ca 0.02 0.14 -0.35 0.00 -1.00 0.00 0.00 57.85 56.66 2pk2 n ARG 122 Cb 0.65 -1.61 0.08 0.00 -1.05 0.00 0.00 32.46 30.52 2pk2 n ARG 122 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2pk2 n SER 123 N -3.07 -4.17 0.14 2.89 2.88 -1.24 -4.81 113.62 106.24 2pk2 n SER 123 Ca -0.33 0.21 0.14 0.00 -1.33 0.00 0.00 58.87 57.56 2pk2 n SER 123 Cb 1.07 -0.92 0.67 0.00 -0.75 0.00 0.00 64.21 64.28 2pk2 n SER 123 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2pk2 h GLU 124 N -1.27 0.00 -7.33 -1.46 4.39 -1.94 -3.42 114.58 103.55 2pk2 h GLU 124 Ca -0.44 0.00 -0.46 0.00 0.34 0.00 0.00 59.36 58.81 2pk2 h GLU 124 Cb 1.30 0.00 0.16 0.00 -0.10 0.00 0.00 28.75 30.12 2pk2 h GLU 124 CO 0.28 0.00 0.18 0.00 -1.16 0.00 0.00 179.01 178.31 2pk2 s ALA 125 N -5.02 0.87 0.00 3.43 0.00 -1.26 -3.75 121.76 116.02 2pk2 s ALA 125 Ca -0.05 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.62 2pk2 s ALA 125 Cb 0.18 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 20.16 2pk2 s ALA 125 CO 0.69 -2.89 0.00 0.98 0.00 0.00 0.00 175.76 174.54 2pk2 n TYR 126 N -4.23 0.00 0.00 0.00 9.36 -1.26 -4.72 117.16 116.31 2pk2 n TYR 126 Ca 0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.27 2pk2 n TYR 126 Cb 0.57 -0.28 0.00 0.00 -0.63 0.00 0.00 39.34 38.99 2pk2 n TYR 126 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2pk2 n LEU 127 N 0.00 0.15 0.10 2.98 4.77 -1.25 -2.75 117.00 121.01 2pk2 n LEU 127 Ca 0.00 0.30 0.10 0.00 -0.03 0.00 0.00 56.01 56.38 2pk2 n LEU 127 Cb 0.00 -0.46 0.43 0.00 -2.33 0.00 0.00 43.42 41.06 2pk2 n LEU 127 CO 0.00 -0.46 0.80 0.00 -1.33 0.00 0.00 177.39 176.40 2pk2 n GLN 128 N -2.07 0.13 -0.04 3.23 6.02 -1.26 0.19 117.38 123.58 2pk2 n GLN 128 Ca 0.00 0.42 -0.14 0.00 -0.01 0.00 0.00 57.00 57.27 2pk2 n GLN 128 Cb 0.00 -1.77 -0.12 0.00 1.02 0.00 0.00 30.24 29.37 2pk2 n GLN 128 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 2pk2 h GLN 129 N 0.00 0.08 -0.12 -1.09 1.08 -1.92 -0.47 115.11 112.67 2pk2 h GLN 129 Ca 0.00 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 2pk2 h GLN 129 Cb 0.26 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 2pk2 h GLN 129 CO 0.00 0.86 0.00 0.28 -0.95 0.00 0.00 178.83 179.02 2pk2 n VAL 130 N -4.61 0.16 0.00 -0.54 0.31 -0.39 -1.55 118.33 111.71 2pk2 n VAL 130 Ca -0.10 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 2pk2 n VAL 130 Cb 0.45 0.07 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 2pk2 n VAL 130 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2pk2 n GLN 131 N -0.14 0.00 -0.04 5.55 7.27 0.51 -4.10 117.38 126.43 2pk2 n GLN 131 Ca 0.11 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 57.09 2pk2 n GLN 131 Cb 0.17 -0.09 -0.06 0.00 2.41 0.00 0.00 30.24 32.67 2pk2 n GLN 131 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 2pk2 h ASP 132 N 0.00 -1.07 -0.52 1.69 5.19 -1.21 0.25 116.42 120.76 2pk2 h ASP 132 Ca 0.00 0.13 0.08 0.00 -0.62 0.00 0.00 57.03 56.62 2pk2 h ASP 132 Cb 0.00 0.43 -0.07 0.00 0.18 0.00 0.00 39.33 39.87 2pk2 h ASP 132 CO 0.00 -0.27 0.15 -0.07 -3.12 0.00 0.00 179.24 175.93 2pk2 h LEU 133 N -0.30 0.10 -1.83 1.55 3.38 -1.43 1.54 115.31 118.33 2pk2 h LEU 133 Ca 0.03 0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.14 2pk2 h LEU 133 Cb 0.38 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2pk2 h LEU 133 CO -0.30 0.08 0.25 1.62 0.09 0.00 0.00 178.44 180.18 2pk2 h VAL 134 N 0.31 0.93 0.00 1.22 3.04 -1.40 -2.00 116.25 118.34 2pk2 h VAL 134 Ca 0.26 -0.07 -0.18 0.00 -1.01 0.00 0.00 66.70 65.69 2pk2 h VAL 134 Cb 0.32 0.70 -0.03 0.00 -2.01 0.00 0.00 31.29 30.27 2pk2 h VAL 134 CO -0.30 0.04 -1.49 0.00 -1.01 0.00 0.00 177.57 174.81 2pk2 n ILE 135 N -4.47 1.21 -0.25 3.17 0.00 0.85 -3.96 119.36 115.90 2pk2 n ILE 135 Ca 0.05 -0.70 0.10 0.00 0.00 0.00 0.00 62.75 62.19 2pk2 n ILE 135 Cb 0.28 -0.74 0.36 0.00 0.00 0.00 0.00 39.64 39.54 2pk2 n ILE 135 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2pk2 h LEU 136 N 0.00 0.68 -1.56 9.51 3.38 0.28 0.36 115.31 127.96 2pk2 h LEU 136 Ca -0.19 0.03 0.20 0.00 0.09 0.00 0.00 57.88 58.01 2pk2 h LEU 136 Cb 1.63 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 42.21 2pk2 h LEU 136 CO 0.05 0.38 0.59 -0.08 0.09 0.00 0.00 178.44 179.47 2pk2 h GLU 137 N 0.74 0.36 -0.23 1.13 4.81 -1.66 0.59 114.58 120.32 2pk2 h GLU 137 Ca 0.40 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.53 2pk2 h GLU 137 Cb 0.53 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 2pk2 h GLU 137 CO -0.17 0.24 -0.16 1.03 -0.73 0.00 0.00 179.01 179.21 2pk2 h SER 138 N 0.37 0.54 0.18 1.04 0.87 -0.52 -3.25 113.55 112.78 2pk2 h SER 138 Ca 0.46 -0.44 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2pk2 h SER 138 Cb 1.19 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 2pk2 h SER 138 CO -0.16 0.87 0.00 -0.38 -0.53 0.00 0.00 176.83 176.63 2pk2 n ILE 139 N -4.45 0.31 -0.02 2.23 5.41 0.19 -4.05 119.36 118.98 2pk2 n ILE 139 Ca -0.05 0.08 -0.06 0.00 1.00 0.00 0.00 62.75 63.72 2pk2 n ILE 139 Cb 0.38 -0.81 -0.02 0.00 -0.71 0.00 0.00 39.64 38.48 2pk2 n ILE 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2pk2 n ILE 140 N -1.17 1.06 -0.34 1.39 3.06 -0.32 -4.60 119.36 118.44 2pk2 n ILE 140 Ca 0.10 0.15 0.13 0.00 -2.50 0.00 0.00 62.75 60.63 2pk2 n ILE 140 Cb 0.10 -1.78 0.34 0.00 0.54 0.00 0.00 39.64 38.84 2pk2 n ILE 140 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 2pk2 h LEU 141 N -0.36 0.75 -1.15 9.51 3.38 -1.71 -1.18 115.31 124.55 2pk2 h LEU 141 Ca -0.09 0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2pk2 h LEU 141 Cb 0.66 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2pk2 h LEU 141 CO -0.05 0.29 -0.35 0.06 0.09 0.00 0.00 178.44 178.48 2pk2 h GLN 142 N 0.74 0.00 -0.04 1.13 3.07 -1.85 1.51 115.11 119.69 2pk2 h GLN 142 Ca 0.55 0.00 -0.25 0.00 0.09 0.00 0.00 58.65 59.03 2pk2 h GLN 142 Cb 0.88 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.46 2pk2 h GLN 142 CO -0.33 0.35 -0.98 1.15 0.09 0.00 0.00 178.83 179.12 2pk2 h THR 143 N 0.00 1.28 -0.28 1.86 2.02 -1.51 -3.15 112.91 113.14 2pk2 h THR 143 Ca -0.00 -2.19 -0.15 0.00 0.77 0.00 0.00 66.41 64.84 2pk2 h THR 143 Cb 0.77 2.29 -0.09 0.00 -1.74 0.00 0.00 68.15 69.38 2pk2 h THR 143 CO 0.05 0.68 0.19 0.18 0.37 0.00 0.00 175.52 176.99 2pk2 n LEU 144 N -3.87 4.18 -1.50 2.58 4.77 -0.24 -4.86 117.00 118.07 2pk2 n LEU 144 Ca -0.10 -2.15 -0.07 0.00 -0.03 0.00 0.00 56.01 53.66 2pk2 n LEU 144 Cb 0.85 -0.63 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 2pk2 n LEU 144 CO 0.55 0.69 -0.08 0.61 -1.33 0.00 0.00 177.39 177.83 2pk2 n GLY 145 N 0.09 0.43 2.84 -0.72 0.00 0.50 -1.33 105.19 107.01 2pk2 n GLY 145 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2pk2 n GLY 145 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2pk2 n PHE 146 N -1.85 0.00 -0.53 1.61 3.01 0.49 -4.94 117.46 115.25 2pk2 n PHE 146 Ca -0.08 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.09 2pk2 n PHE 146 Cb 0.32 -1.00 0.22 0.00 -0.01 0.00 0.00 39.48 39.01 2pk2 n PHE 146 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2pk2 n GLU 147 N -1.19 -2.44 -0.80 -1.08 1.02 -0.44 -4.99 120.64 110.71 2pk2 n GLU 147 Ca 0.00 -0.70 -0.02 0.00 -0.02 0.00 0.00 57.16 56.42 2pk2 n GLU 147 Cb 0.19 -1.85 -0.02 0.00 -0.02 0.00 0.00 31.44 29.74 2pk2 n GLU 147 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2pk2 n LEU 148 N -3.22 -0.18 -4.07 -4.62 4.77 -1.26 -5.09 117.00 103.33 2pk2 n LEU 148 Ca 0.03 -1.47 -0.32 0.00 -0.03 0.00 0.00 56.01 54.23 2pk2 n LEU 148 Cb 0.57 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.51 2pk2 n LEU 148 CO 0.50 0.96 -0.46 -0.89 -1.33 0.00 0.00 177.39 176.17 2pk2 s THR 149 N 0.00 2.15 -0.29 -5.08 2.01 -1.26 -5.06 115.64 108.11 2pk2 s THR 149 Ca 0.05 -1.60 0.01 0.00 0.31 0.00 0.00 61.69 60.45 2pk2 s THR 149 Cb 0.06 -2.25 0.15 0.00 0.01 0.00 0.00 72.50 70.46 2pk2 s THR 149 CO -0.02 -0.01 0.35 -0.51 -0.69 0.00 0.00 174.62 173.74 2pk2 s ILE 150 N 1.12 -0.52 -0.84 1.82 1.10 -1.26 -5.02 121.20 117.59 2pk2 s ILE 150 Ca -0.08 -0.38 -0.10 0.00 -0.51 0.00 0.00 60.65 59.58 2pk2 s ILE 150 Cb -0.20 -0.98 0.22 0.00 0.15 0.00 0.00 42.46 41.65 2pk2 s ILE 150 CO -0.05 -0.37 0.76 1.51 -2.11 0.00 0.00 174.94 174.68 2pk2 s ASP 151 N 2.46 6.48 0.44 4.50 1.47 -1.26 -5.00 116.67 125.75 2pk2 s ASP 151 Ca 0.10 -2.97 -0.24 0.00 1.18 0.00 0.00 52.55 50.61 2pk2 s ASP 151 Cb -0.13 -2.11 -0.10 0.00 -0.34 0.00 0.00 42.92 40.24 2pk2 s ASP 151 CO -0.31 -0.45 1.13 1.41 0.68 0.00 0.00 175.17 177.64 2pk2 n HIS 152 N 3.51 1.61 -1.60 2.11 8.25 -1.26 -4.62 115.22 123.22 2pk2 n HIS 152 Ca 0.15 0.52 -0.14 0.00 -0.26 0.00 0.00 57.72 57.99 2pk2 n HIS 152 Cb 0.43 -2.29 -0.10 0.00 1.12 0.00 0.00 29.99 29.15 2pk2 n HIS 152 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2pk2 s PRO 153 N -2.18 1.29 0.27 -0.41 0.04 -1.26 -3.90 135.00 128.84 2pk2 s PRO 153 Ca 0.63 -0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.50 2pk2 s PRO 153 Cb -0.52 -4.93 0.00 0.00 0.04 0.00 0.00 34.50 29.09 2pk2 s PRO 153 CO 0.56 -5.23 0.00 0.72 0.04 0.00 0.00 177.00 173.10 2pk2 n HIS 154 N 19.45 -2.88 -0.37 0.56 8.25 -1.26 -4.75 115.22 134.22 2pk2 n HIS 154 Ca 0.43 0.72 0.33 0.00 -0.26 0.00 0.00 57.72 58.93 2pk2 n HIS 154 Cb 0.46 1.70 0.57 0.00 1.12 0.00 0.00 29.99 33.85 2pk2 n HIS 154 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2pk2 n THR 155 N -3.20 -0.29 0.06 1.59 -2.24 -1.25 0.20 114.28 109.15 2pk2 n THR 155 Ca 0.00 1.70 -0.22 0.00 -2.27 0.00 0.00 64.05 63.26 2pk2 n THR 155 Cb 0.00 -2.78 -0.15 0.00 -2.10 0.00 0.00 70.33 65.30 2pk2 n THR 155 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 2pk2 h HIS 156 N 0.00 0.64 -0.51 4.78 3.86 -1.92 -2.84 115.15 119.15 2pk2 h HIS 156 Ca 0.78 -0.47 0.09 0.00 -1.16 0.00 0.00 60.37 59.61 2pk2 h HIS 156 Cb 2.32 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 30.74 2pk2 h HIS 156 CO -0.01 1.55 0.35 0.28 0.86 0.00 0.00 177.93 180.96 2pk2 h VAL 157 N -0.12 0.89 -0.01 2.45 2.07 0.20 1.71 116.25 123.45 2pk2 h VAL 157 Ca -0.28 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2pk2 h VAL 157 Cb 1.91 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 2pk2 h VAL 157 CO 0.15 0.05 -0.12 0.52 0.02 0.00 0.00 177.57 178.19 2pk2 n VAL 158 N -4.46 0.00 -0.01 2.57 0.31 0.23 -3.78 118.33 113.20 2pk2 n VAL 158 Ca 0.08 -0.13 0.04 0.00 -0.01 0.00 0.00 64.34 64.32 2pk2 n VAL 158 Cb 0.36 0.20 -0.07 0.00 -0.91 0.00 0.00 33.84 33.42 2pk2 n VAL 158 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2pk2 n LYS 159 N -0.54 0.43 0.06 5.55 4.81 0.30 -4.57 118.16 124.19 2pk2 n LYS 159 Ca 0.16 -0.08 -0.06 0.00 -0.87 0.00 0.00 58.31 57.45 2pk2 n LYS 159 Cb 0.31 -1.23 -0.11 0.00 0.02 0.00 0.00 35.03 34.02 2pk2 n LYS 159 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2pk2 n THR 161 N -3.29 0.00 0.19 0.00 -1.04 -1.25 -2.22 114.28 106.67 2pk2 n THR 161 Ca -0.02 1.36 -0.11 0.00 -2.04 0.00 0.00 64.05 63.24 2pk2 n THR 161 Cb 0.93 -2.01 -0.06 0.00 -1.82 0.00 0.00 70.33 67.38 2pk2 n THR 161 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 2pk2 h GLN 162 N 0.00 -0.60 -0.98 -2.82 7.50 -1.88 1.09 115.11 117.42 2pk2 h GLN 162 Ca 0.00 0.04 0.27 0.00 0.50 0.00 0.00 58.65 59.46 2pk2 h GLN 162 Cb 0.00 0.14 -0.06 0.00 0.05 0.00 0.00 27.48 27.61 2pk2 h GLN 162 CO 0.00 -0.40 0.68 -0.07 -1.50 0.00 0.00 178.83 177.54 2pk2 h LEU 163 N -0.62 0.17 0.00 1.46 3.38 -1.76 1.45 115.31 119.39 2pk2 h LEU 163 Ca -0.04 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2pk2 h LEU 163 Cb 0.53 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2pk2 h LEU 163 CO -0.01 0.05 -1.16 1.33 0.09 0.00 0.00 178.44 178.74 2pk2 n VAL 164 N -4.37 0.50 -2.30 1.22 0.24 -0.94 -5.01 118.33 107.65 2pk2 n VAL 164 Ca 0.21 -0.52 -0.04 0.00 -2.04 0.00 0.00 64.34 61.96 2pk2 n VAL 164 Cb 0.95 -0.26 0.02 0.00 -1.47 0.00 0.00 33.84 33.08 2pk2 n VAL 164 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2pk2 n ARG 165 N -2.57 -0.86 0.00 7.34 1.74 0.49 -5.06 116.66 117.74 2pk2 n ARG 165 Ca -0.01 0.72 0.00 0.00 -0.77 0.00 0.00 57.85 57.79 2pk2 n ARG 165 Cb 0.55 -3.59 0.00 0.00 -1.02 0.00 0.00 32.46 28.39 2pk2 n ARG 165 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2pk2 n ALA 166 N -1.84 0.00 -2.79 7.54 0.00 -0.17 -4.99 120.51 118.27 2pk2 n ALA 166 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2pk2 n ALA 166 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2pk2 n ALA 166 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2pk2 n SER 167 N -1.96 0.00 -1.14 0.00 7.64 -1.26 -4.92 113.62 111.98 2pk2 n SER 167 Ca 0.00 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.98 2pk2 n SER 167 Cb 0.00 0.00 0.26 0.00 -1.01 0.00 0.00 64.21 63.46 2pk2 n SER 167 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2pk2 n LYS 168 N 0.00 2.69 0.00 1.43 4.81 -1.26 -3.78 118.16 122.04 2pk2 n LYS 168 Ca 0.00 -2.44 0.00 0.00 -0.87 0.00 0.00 58.31 55.00 2pk2 n LYS 168 Cb 0.00 -1.48 0.00 0.00 0.02 0.00 0.00 35.03 33.57 2pk2 n LYS 168 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2pk2 n ASP 169 N 1.34 1.82 -0.12 3.14 10.43 -1.26 -4.34 116.55 127.56 2pk2 n ASP 169 Ca 0.20 0.00 -0.26 0.00 2.57 0.00 0.00 54.79 57.30 2pk2 n ASP 169 Cb 0.57 0.32 -0.11 0.00 1.84 0.00 0.00 41.12 43.75 2pk2 n ASP 169 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 2pk2 n LEU 170 N -0.66 1.93 0.16 0.64 7.94 -1.26 -3.29 117.00 122.47 2pk2 n LEU 170 Ca 0.00 0.37 0.02 0.00 -1.11 0.00 0.00 56.01 55.29 2pk2 n LEU 170 Cb 0.04 -0.88 0.27 0.00 0.53 0.00 0.00 43.42 43.38 2pk2 n LEU 170 CO 0.00 0.46 0.61 0.00 -1.11 0.00 0.00 177.39 177.35 2pk2 h ALA 171 N -0.77 1.08 0.00 1.96 0.00 -1.89 -1.74 119.26 117.90 2pk2 h ALA 171 Ca -0.56 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 53.87 2pk2 h ALA 171 Cb 1.49 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2pk2 h ALA 171 CO -0.33 0.60 -0.22 1.96 0.00 0.00 0.00 179.25 181.26 2pk2 h GLN 172 N 0.00 0.00 -0.00 0.00 4.20 -1.76 -2.40 115.11 115.15 2pk2 h GLN 172 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2pk2 h GLN 172 Cb 0.92 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.70 2pk2 h GLN 172 CO 0.06 0.22 -0.43 2.41 -0.67 0.00 0.00 178.83 180.42 2pk2 n THR 173 N -3.37 0.00 -0.02 -0.54 -1.04 -0.90 -4.32 114.28 104.09 2pk2 n THR 173 Ca 0.00 -0.08 -0.15 0.00 -2.04 0.00 0.00 64.05 61.78 2pk2 n THR 173 Cb 0.44 0.45 -0.11 0.00 -1.82 0.00 0.00 70.33 69.29 2pk2 n THR 173 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2pk2 h SER 174 N 0.71 0.24 -0.66 8.00 0.02 -0.79 -3.33 113.55 117.74 2pk2 h SER 174 Ca 0.00 -0.78 0.13 0.00 -0.84 0.00 0.00 61.79 60.30 2pk2 h SER 174 Cb 0.52 -0.07 -0.12 0.00 0.14 0.00 0.00 62.40 62.87 2pk2 h SER 174 CO 0.00 0.99 -0.14 0.22 -1.14 0.00 0.00 176.83 176.75 2pk2 h TYR 175 N -0.49 -0.31 0.00 3.45 3.20 -1.75 -2.91 116.97 118.16 2pk2 h TYR 175 Ca -0.03 0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 2pk2 h TYR 175 Cb 1.03 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.53 2pk2 h TYR 175 CO 0.18 -0.27 -0.17 0.35 -1.64 0.00 0.00 178.16 176.60 2pk2 h PHE 176 N 0.01 0.00 0.03 -3.82 3.57 -1.82 -3.19 116.94 111.73 2pk2 h PHE 176 Ca 0.32 0.00 -0.26 0.00 3.53 0.00 0.00 57.97 61.56 2pk2 h PHE 176 Cb 0.50 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 2pk2 h PHE 176 CO -0.52 0.17 -1.37 1.98 -2.23 0.00 0.00 178.31 176.35 2pk2 h MET 177 N 0.00 0.07 0.63 1.11 4.05 -1.61 -3.20 114.93 115.98 2pk2 h MET 177 Ca -0.00 -0.13 -0.03 0.00 -0.28 0.00 0.00 59.70 59.26 2pk2 h MET 177 Cb 0.63 0.05 0.01 0.00 -0.80 0.00 0.00 31.60 31.48 2pk2 h MET 177 CO 0.02 0.88 -0.30 0.00 0.23 0.00 0.00 176.91 177.74 2pk2 h ALA 178 N 0.85 -0.84 -0.38 0.39 0.00 -1.65 -2.79 119.26 114.85 2pk2 h ALA 178 Ca -0.16 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.59 2pk2 h ALA 178 Cb 1.92 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 19.97 2pk2 h ALA 178 CO 0.12 -0.92 -0.42 1.15 0.00 0.00 0.00 179.25 179.19 2pk2 h THR 179 N -0.94 0.00 -0.62 0.00 2.02 -1.70 -0.21 112.91 111.46 2pk2 h THR 179 Ca -0.09 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.27 2pk2 h THR 179 Cb 0.68 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 2pk2 h THR 179 CO 0.14 0.00 0.50 0.78 0.37 0.00 0.00 175.52 177.31 2pk2 h ASN 180 N -0.24 0.00 0.71 4.18 2.35 -1.61 1.48 115.58 122.44 2pk2 h ASN 180 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2pk2 h ASN 180 Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.78 2pk2 h ASN 180 CO -0.48 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 173.76 2pk2 n SER 181 N -4.12 0.02 0.01 5.81 3.41 -0.11 -1.31 113.62 117.34 2pk2 n SER 181 Ca 0.12 0.50 0.03 0.00 -0.26 0.00 0.00 58.87 59.27 2pk2 n SER 181 Cb 0.74 -0.51 -0.10 0.00 -0.26 0.00 0.00 64.21 64.08 2pk2 n SER 181 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2pk2 n LEU 182 N -1.52 0.50 -0.80 1.04 7.99 0.50 -3.29 117.00 121.42 2pk2 n LEU 182 Ca 0.05 0.21 0.08 0.00 -0.01 0.00 0.00 56.01 56.34 2pk2 n LEU 182 Cb 0.24 0.10 0.17 0.00 -0.11 0.00 0.00 43.42 43.81 2pk2 n LEU 182 CO 0.19 0.10 0.62 1.41 -1.51 0.00 0.00 177.39 178.20 2pk2 n HIS 183 N -2.67 0.44 0.06 -1.77 8.25 -0.93 -4.81 115.22 113.80 2pk2 n HIS 183 Ca -0.10 -0.34 0.00 0.00 -0.26 0.00 0.00 57.72 57.01 2pk2 n HIS 183 Cb 0.77 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.87 2pk2 n HIS 183 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2pk2 n LEU 184 N 0.90 0.07 -4.92 2.41 4.77 -0.42 -4.51 117.00 115.29 2pk2 n LEU 184 Ca 0.14 0.20 -0.26 0.00 -0.03 0.00 0.00 56.01 56.06 2pk2 n LEU 184 Cb 0.46 0.11 -0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2pk2 n LEU 184 CO 0.11 -0.64 0.34 -0.89 -1.33 0.00 0.00 177.39 174.97 2pk2 s THR 185 N -1.48 4.84 -0.33 -5.08 2.01 -1.21 -4.94 115.64 109.46 2pk2 s THR 185 Ca 0.00 -0.10 0.03 0.00 0.31 0.00 0.00 61.69 61.93 2pk2 s THR 185 Cb 0.00 -3.81 0.38 0.00 0.01 0.00 0.00 72.50 69.07 2pk2 s THR 185 CO 0.00 -0.69 1.41 0.35 -0.69 0.00 0.00 174.62 175.00 2pk2 n THR 186 N -2.09 2.00 1.21 -0.82 -2.24 -1.26 -4.38 114.28 106.70 2pk2 n THR 186 Ca -0.01 -0.95 0.11 0.00 -2.27 0.00 0.00 64.05 60.93 2pk2 n THR 186 Cb 0.56 -0.64 0.61 0.00 -2.10 0.00 0.00 70.33 68.76 2pk2 n THR 186 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2pk2 n PHE 187 N -0.20 0.00 0.27 4.78 3.72 -1.26 -3.43 117.46 121.34 2pk2 n PHE 187 Ca 0.28 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.53 2pk2 n PHE 187 Cb 1.03 -0.15 -0.08 0.00 -0.94 0.00 0.00 39.48 39.34 2pk2 n PHE 187 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2pk2 h SER 188 N 0.00 -0.58 -0.89 4.37 4.64 -1.79 -2.41 113.55 116.89 2pk2 h SER 188 Ca 0.00 -0.06 -0.56 0.00 -0.47 0.00 0.00 61.79 60.70 2pk2 h SER 188 Cb 0.11 0.15 -0.29 0.00 -0.31 0.00 0.00 62.40 62.06 2pk2 h SER 188 CO 0.00 -0.26 0.50 0.18 -0.87 0.00 0.00 176.83 176.38 2pk2 n LEU 189 N -5.30 6.67 0.06 5.97 4.32 -1.22 -4.48 117.00 123.02 2pk2 n LEU 189 Ca -0.11 -4.09 0.00 0.00 -0.02 0.00 0.00 56.01 51.79 2pk2 n LEU 189 Cb 0.32 -0.82 0.00 0.00 -1.62 0.00 0.00 43.42 41.29 2pk2 n LEU 189 CO 0.32 1.40 0.00 1.67 -1.22 0.00 0.00 177.39 179.56 2pk2 n GLN 190 N -0.99 0.00 -4.65 3.23 7.27 -1.24 -3.99 117.38 117.02 2pk2 n GLN 190 Ca 0.56 0.00 -0.33 0.00 0.07 0.00 0.00 57.00 57.30 2pk2 n GLN 190 Cb 1.03 0.00 -0.13 0.00 2.41 0.00 0.00 30.24 33.55 2pk2 n GLN 190 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 2pk2 s TYR 191 N -2.00 2.89 0.68 3.69 2.02 -0.91 -4.79 117.35 118.93 2pk2 s TYR 191 Ca 0.00 -0.49 -0.17 0.00 -0.37 0.00 0.00 57.07 56.04 2pk2 s TYR 191 Cb 0.00 -1.87 -0.01 0.00 -0.40 0.00 0.00 41.96 39.67 2pk2 s TYR 191 CO 0.00 -0.12 0.95 -2.37 -1.57 0.00 0.00 175.55 172.44 2pk2 n THR 192 N 3.45 3.20 -0.25 -0.71 5.66 -1.26 -4.51 114.28 119.85 2pk2 n THR 192 Ca -0.18 -0.42 0.05 0.00 -3.05 0.00 0.00 64.05 60.45 2pk2 n THR 192 Cb 0.53 -1.11 0.18 0.00 -1.55 0.00 0.00 70.33 68.38 2pk2 n THR 192 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 2pk2 h PRO 193 N 0.01 0.33 0.64 1.09 0.11 -1.89 -1.22 132.00 131.06 2pk2 h PRO 193 Ca -0.48 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 2pk2 h PRO 193 Cb 1.35 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 2pk2 h PRO 193 CO 0.48 0.22 -0.45 -1.35 -0.21 0.00 0.00 178.00 176.69 2pk2 h PRO 194 N 0.34 -1.00 -0.51 1.05 0.11 -1.89 -1.89 132.00 128.21 2pk2 h PRO 194 Ca 0.41 0.07 0.11 0.00 0.11 0.00 0.00 66.00 66.70 2pk2 h PRO 194 Cb 0.68 0.23 -0.03 0.00 0.11 0.00 0.00 31.00 31.99 2pk2 h PRO 194 CO -0.46 -0.67 0.35 0.28 -0.21 0.00 0.00 178.00 177.29 2pk2 h VAL 195 N -1.04 0.85 0.00 3.15 2.07 -1.77 1.43 116.25 120.94 2pk2 h VAL 195 Ca -0.08 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2pk2 h VAL 195 Cb 0.85 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2pk2 h VAL 195 CO 0.05 0.04 0.00 0.52 0.02 0.00 0.00 177.57 178.20 2pk2 n VAL 196 N -4.45 0.03 -0.09 2.57 0.31 -0.48 -3.46 118.33 112.76 2pk2 n VAL 196 Ca 0.08 0.01 -0.21 0.00 -0.01 0.00 0.00 64.34 64.21 2pk2 n VAL 196 Cb 0.43 -0.61 -0.12 0.00 -0.91 0.00 0.00 33.84 32.63 2pk2 n VAL 196 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pk2 n ALA 197 N -1.03 1.19 0.30 3.52 0.00 0.49 -3.49 120.51 121.48 2pk2 n ALA 197 Ca 0.18 -0.91 0.15 0.00 0.00 0.00 0.00 53.44 52.86 2pk2 n ALA 197 Cb 0.10 -0.27 0.90 0.00 0.00 0.00 0.00 19.45 20.18 2pk2 n ALA 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pk2 h VAL 199 N 0.00 1.61 0.00 0.00 2.07 -1.73 0.22 116.25 118.41 2pk2 h VAL 199 Ca -0.00 -2.15 -0.05 0.00 0.82 0.00 0.00 66.70 65.32 2pk2 h VAL 199 Cb 0.00 3.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 2pk2 h VAL 199 CO 0.00 0.58 -0.25 0.00 0.02 0.00 0.00 177.57 177.92 2pk2 h ILE 201 N 0.00 1.31 -0.38 0.00 1.08 -0.21 -3.33 117.51 115.97 2pk2 h ILE 201 Ca -0.00 -2.91 -0.10 0.00 -0.39 0.00 0.00 64.86 61.45 2pk2 h ILE 201 Cb 0.59 2.63 -0.02 0.00 -3.07 0.00 0.00 36.82 36.96 2pk2 h ILE 201 CO 0.03 0.74 -0.17 -0.74 -0.69 0.00 0.00 178.15 177.33 2pk2 h HIS 202 N 0.00 0.79 0.00 1.37 2.76 0.76 -3.01 115.15 117.82 2pk2 h HIS 202 Ca -0.05 -0.16 0.00 0.00 -2.20 0.00 0.00 60.37 57.97 2pk2 h HIS 202 Cb 1.67 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 30.43 2pk2 h HIS 202 CO 0.00 0.83 0.00 1.28 -1.30 0.00 0.00 177.93 178.74 2pk2 n LEU 203 N -4.14 0.00 -0.08 0.26 4.77 -0.10 0.18 117.00 117.90 2pk2 n LEU 203 Ca 0.01 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.76 2pk2 n LEU 203 Cb 0.39 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.36 2pk2 n LEU 203 CO 0.43 0.00 -0.93 0.00 -1.33 0.00 0.00 177.39 175.56 2pk2 n ALA 204 N -0.97 1.00 0.38 -1.18 0.00 -1.14 -3.94 120.51 114.67 2pk2 n ALA 204 Ca 0.14 -0.74 0.12 0.00 0.00 0.00 0.00 53.44 52.95 2pk2 n ALA 204 Cb 0.06 -0.39 0.10 0.00 0.00 0.00 0.00 19.45 19.23 2pk2 n ALA 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pk2 n LYS 206 N -2.37 1.51 0.00 0.00 0.00 0.49 -1.32 118.16 116.46 2pk2 n LYS 206 Ca 0.02 -0.78 0.00 0.00 0.00 0.00 0.00 58.31 57.55 2pk2 n LYS 206 Cb 0.48 -1.23 0.00 0.00 0.00 0.00 0.00 35.03 34.28 2pk2 n LYS 206 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.40 179.27 2pk2 n TRP 207 N 0.09 0.00 0.47 5.64 -0.00 -1.17 -4.78 117.44 117.69 2pk2 n TRP 207 Ca 0.10 0.00 0.13 0.00 -0.00 0.00 0.00 57.50 57.73 2pk2 n TRP 207 Cb 0.20 0.00 0.46 0.00 -0.00 0.00 0.00 31.31 31.98 2pk2 n TRP 207 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 2pk2 h SER 208 N 0.00 0.00 -0.40 5.87 4.64 -1.35 -3.46 113.55 118.85 2pk2 h SER 208 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 2pk2 h SER 208 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 2pk2 h SER 208 CO 0.00 0.00 -0.12 -3.20 -0.87 0.00 0.00 176.83 172.64 2pk2 n ASN 209 N -2.33 -3.54 -3.53 4.97 2.85 -0.44 -4.92 115.26 108.32 2pk2 n ASN 209 Ca 0.03 0.13 -0.39 0.00 -0.11 0.00 0.00 54.58 54.25 2pk2 n ASN 209 Cb 0.32 -1.82 -0.03 0.00 1.24 0.00 0.00 39.78 39.49 2pk2 n ASN 209 CO 0.00 0.00 0.00 1.87 -2.11 0.00 0.00 177.26 177.02 2pk2 n TRP 210 N -3.02 2.47 -1.65 1.20 -0.00 -1.17 -4.86 117.44 110.40 2pk2 n TRP 210 Ca -0.07 -2.46 -0.16 0.00 -0.00 0.00 0.00 57.50 54.81 2pk2 n TRP 210 Cb 0.27 -2.13 -0.08 0.00 -0.00 0.00 0.00 31.31 29.36 2pk2 n TRP 210 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 177.69 175.69 2pk2 s GLU 211 N 3.63 1.63 -0.29 5.87 -6.30 -1.26 -4.64 118.70 117.33 2pk2 s GLU 211 Ca 0.53 0.12 -0.37 0.00 -2.50 0.00 0.00 54.97 52.75 2pk2 s GLU 211 Cb 0.14 -4.88 -0.13 0.00 0.00 0.00 0.00 34.13 29.26 2pk2 s GLU 211 CO -0.01 -4.58 2.00 0.44 0.02 0.00 0.00 175.26 173.13 2pk2 n ILE 212 N 8.72 0.28 -0.96 -3.70 -5.35 -1.26 -4.85 119.36 112.24 2pk2 n ILE 212 Ca 0.45 -0.16 -0.35 0.00 -0.27 0.00 0.00 62.75 62.42 2pk2 n ILE 212 Cb 0.45 -1.50 0.09 0.00 -1.74 0.00 0.00 39.64 36.93 2pk2 n ILE 212 CO 0.00 0.00 0.00 -2.65 -1.76 0.00 0.00 176.55 172.14 2pk2 n PRO 213 N 7.03 -0.09 -0.28 6.28 -0.02 -1.26 -4.72 135.00 141.94 2pk2 n PRO 213 Ca 0.34 0.01 -0.15 0.00 -2.02 0.00 0.00 63.50 61.68 2pk2 n PRO 213 Cb 0.20 -1.60 0.14 0.00 -0.02 0.00 0.00 33.50 32.22 2pk2 n PRO 213 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2pk2 n VAL 214 N -2.99 0.00 -1.63 -1.45 0.24 -1.26 -4.71 118.33 106.53 2pk2 n VAL 214 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 2pk2 n VAL 214 Cb 0.53 -0.48 0.00 0.00 -1.47 0.00 0.00 33.84 32.42 2pk2 n VAL 214 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2pk2 n SER 215 N -2.70 0.00 -0.13 -1.34 7.64 0.49 -4.78 113.62 112.81 2pk2 n SER 215 Ca 0.07 -0.53 -0.04 0.00 1.01 0.00 0.00 58.87 59.38 2pk2 n SER 215 Cb 0.29 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.52 2pk2 n SER 215 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2pk2 h THR 216 N -0.24 0.64 -2.07 0.44 1.35 -1.96 -3.09 112.91 107.98 2pk2 h THR 216 Ca 0.00 -0.02 -0.70 0.00 -0.55 0.00 0.00 66.41 65.14 2pk2 h THR 216 Cb 0.00 0.57 -0.34 0.00 -1.73 0.00 0.00 68.15 66.66 2pk2 h THR 216 CO 0.00 0.01 0.26 -0.90 -0.25 0.00 0.00 175.52 174.64 2pk2 n ASP 217 N -5.25 6.13 -3.77 5.36 5.75 -1.26 -4.87 116.55 118.65 2pk2 n ASP 217 Ca 0.03 -3.73 -0.24 0.00 -0.01 0.00 0.00 54.79 50.84 2pk2 n ASP 217 Cb 0.22 -0.85 0.02 0.00 -1.03 0.00 0.00 41.12 39.48 2pk2 n ASP 217 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2pk2 n GLY 218 N -0.29 -0.40 3.53 6.12 0.00 -1.17 -4.98 105.19 108.01 2pk2 n GLY 218 Ca 0.43 0.20 -0.34 0.00 0.00 0.00 0.00 46.02 46.31 2pk2 n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pk2 s LYS 219 N -6.13 2.93 0.28 1.61 -0.14 -1.26 -4.77 119.74 112.27 2pk2 s LYS 219 Ca 0.09 -0.58 -0.28 0.00 -1.36 0.00 0.00 55.97 53.83 2pk2 s LYS 219 Cb -0.03 -2.62 -0.09 0.00 -1.68 0.00 0.00 37.83 33.41 2pk2 s LYS 219 CO 0.84 0.54 0.97 -1.01 -0.76 0.00 0.00 175.35 175.94 2pk2 s HIS 220 N -0.49 3.79 0.60 3.18 3.76 -1.26 0.19 115.29 125.06 2pk2 s HIS 220 Ca 0.07 1.83 0.31 0.00 -0.15 0.00 0.00 55.06 57.12 2pk2 s HIS 220 Cb -0.12 -3.02 1.87 0.00 1.11 0.00 0.00 32.58 32.42 2pk2 s HIS 220 CO 0.02 0.16 2.24 0.11 -0.85 0.00 0.00 174.74 176.42 2pk2 h TRP 221 N 3.72 0.00 -0.11 1.40 5.08 -1.84 -2.05 115.95 122.15 2pk2 h TRP 221 Ca -0.46 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.51 2pk2 h TRP 221 Cb 1.20 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.36 2pk2 h TRP 221 CO 0.61 0.00 0.00 -2.67 -1.28 0.00 0.00 178.44 175.10 2pk2 n TRP 222 N -3.72 0.32 0.18 0.12 2.14 -1.26 -3.07 117.44 112.15 2pk2 n TRP 222 Ca -0.02 -0.12 0.11 0.00 2.07 0.00 0.00 57.50 59.54 2pk2 n TRP 222 Cb 0.13 -0.13 0.21 0.00 -0.81 0.00 0.00 31.31 30.71 2pk2 n TRP 222 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 2pk2 n GLU 223 N 0.05 2.45 -0.12 -2.67 4.71 -0.77 -4.34 120.64 119.94 2pk2 n GLU 223 Ca 0.05 -2.25 -0.27 0.00 -0.01 0.00 0.00 57.16 54.68 2pk2 n GLU 223 Cb 0.34 -1.48 -0.11 0.00 -1.01 0.00 0.00 31.44 29.18 2pk2 n GLU 223 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2pk2 n TYR 224 N 1.38 0.39 0.27 -0.32 4.02 -1.17 -4.33 117.16 117.40 2pk2 n TYR 224 Ca 0.19 0.16 0.15 0.00 -0.01 0.00 0.00 57.90 58.39 2pk2 n TYR 224 Cb 0.57 -1.04 0.74 0.00 -0.02 0.00 0.00 39.34 39.60 2pk2 n TYR 224 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2pk2 h VAL 225 N -0.96 0.36 -2.66 -0.72 2.07 -1.80 -3.44 116.25 109.11 2pk2 h VAL 225 Ca -0.57 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 66.38 2pk2 h VAL 225 Cb 1.52 1.40 -0.14 0.00 -1.52 0.00 0.00 31.29 32.55 2pk2 h VAL 225 CO -0.33 0.09 0.24 -1.81 0.02 0.00 0.00 177.57 175.78 2pk2 s ASP 226 N -5.92 -0.57 0.01 0.57 -0.00 -1.26 -4.60 116.67 104.90 2pk2 s ASP 226 Ca -0.02 0.19 0.24 0.00 -0.00 0.00 0.00 52.55 52.97 2pk2 s ASP 226 Cb 0.12 0.56 0.40 0.00 -0.00 0.00 0.00 42.92 44.00 2pk2 s ASP 226 CO 0.56 -0.84 1.34 0.00 -0.00 0.00 0.00 175.17 176.23 2pk2 n ALA 227 N -0.02 3.58 0.64 5.23 0.00 -1.26 -3.97 120.51 124.71 2pk2 n ALA 227 Ca -0.17 -0.36 0.07 0.00 0.00 0.00 0.00 53.44 52.98 2pk2 n ALA 227 Cb 0.63 -1.09 -0.09 0.00 0.00 0.00 0.00 19.45 18.90 2pk2 n ALA 227 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2pk2 n THR 228 N -1.58 0.00 -1.50 0.00 -2.24 -1.26 -4.94 114.28 102.76 2pk2 n THR 228 Ca 0.05 -0.16 -0.48 0.00 -2.27 0.00 0.00 64.05 61.19 2pk2 n THR 228 Cb 0.35 0.90 -0.06 0.00 -2.10 0.00 0.00 70.33 69.42 2pk2 n THR 228 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2pk2 n VAL 229 N -1.44 0.24 -4.14 2.28 0.31 -1.25 -4.94 118.33 109.39 2pk2 n VAL 229 Ca 0.02 -0.32 -0.29 0.00 -0.01 0.00 0.00 64.34 63.74 2pk2 n VAL 229 Cb 0.26 -1.95 -0.08 0.00 -0.91 0.00 0.00 33.84 31.16 2pk2 n VAL 229 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2pk2 s THR 230 N 7.59 3.96 0.06 2.52 -1.32 -1.26 -4.62 115.64 122.56 2pk2 s THR 230 Ca 1.06 -1.10 -0.20 0.00 -1.21 0.00 0.00 61.69 60.25 2pk2 s THR 230 Cb -0.68 -2.91 -0.09 0.00 -1.51 0.00 0.00 72.50 67.30 2pk2 s THR 230 CO 0.45 0.06 1.31 0.25 -2.21 0.00 0.00 174.62 174.48 2pk2 h LEU 231 N 3.22 -0.88 -0.53 9.08 6.46 -1.96 0.40 115.31 131.10 2pk2 h LEU 231 Ca -0.48 0.09 0.06 0.00 -0.12 0.00 0.00 57.88 57.44 2pk2 h LEU 231 Cb 1.17 0.32 -0.09 0.00 -0.73 0.00 0.00 40.66 41.33 2pk2 h LEU 231 CO 0.59 -0.33 -0.53 -0.33 -0.62 0.00 0.00 178.44 177.22 2pk2 h GLU 232 N -0.47 -0.29 -0.06 1.25 5.08 -1.98 1.46 114.58 119.57 2pk2 h GLU 232 Ca -0.01 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2pk2 h GLU 232 Cb 0.45 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2pk2 h GLU 232 CO -0.13 -0.19 0.04 1.25 -1.00 0.00 0.00 179.01 178.97 2pk2 h LEU 233 N -0.30 0.08 -0.91 1.33 5.85 -1.97 -2.36 115.31 117.03 2pk2 h LEU 233 Ca 0.11 -0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.92 2pk2 h LEU 233 Cb 0.56 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.49 2pk2 h LEU 233 CO -0.67 0.09 0.53 0.25 -0.34 0.00 0.00 178.44 178.30 2pk2 h LEU 234 N 0.06 0.75 -0.58 2.25 5.85 0.10 0.33 115.31 124.08 2pk2 h LEU 234 Ca 0.02 0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.89 2pk2 h LEU 234 Cb 0.03 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 40.90 2pk2 h LEU 234 CO -0.00 0.39 0.19 0.44 -0.34 0.00 0.00 178.44 179.11 2pk2 h ASP 235 N 0.84 0.15 -0.37 1.25 5.19 0.25 -1.68 116.42 122.04 2pk2 h ASP 235 Ca 0.46 0.08 -0.06 0.00 -0.62 0.00 0.00 57.03 56.89 2pk2 h ASP 235 Cb 0.49 0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.06 2pk2 h ASP 235 CO -0.28 0.10 0.03 -0.08 -3.12 0.00 0.00 179.24 175.88 2pk2 h GLU 236 N 0.35 0.73 0.00 3.56 4.81 -0.51 -2.68 114.58 120.84 2pk2 h GLU 236 Ca 0.29 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 2pk2 h GLU 236 Cb 0.37 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 2pk2 h GLU 236 CO -0.32 0.72 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.53 2pk2 h LEU 237 N 0.69 0.00 0.13 1.64 3.38 -0.27 -2.26 115.31 118.62 2pk2 h LEU 237 Ca 0.14 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.80 2pk2 h LEU 237 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2pk2 h LEU 237 CO 0.01 0.09 -1.63 0.00 0.09 0.00 0.00 178.44 177.00 2pk2 h THR 238 N 0.00 0.89 -0.67 0.22 1.03 -1.23 -3.28 112.91 109.88 2pk2 h THR 238 Ca -0.00 -2.39 0.14 0.00 -0.01 0.00 0.00 66.41 64.15 2pk2 h THR 238 Cb 0.78 2.63 -0.12 0.00 -1.07 0.00 0.00 68.15 70.38 2pk2 h THR 238 CO 0.01 0.76 -0.09 -0.74 -0.01 0.00 0.00 175.52 175.45 2pk2 h HIS 239 N -0.17 -0.22 -0.90 0.00 -0.00 -1.48 0.22 115.15 112.61 2pk2 h HIS 239 Ca -0.35 0.06 0.20 0.00 -0.00 0.00 0.00 60.37 60.28 2pk2 h HIS 239 Cb 1.87 0.20 -0.11 0.00 -0.00 0.00 0.00 27.41 29.37 2pk2 h HIS 239 CO 0.11 -0.25 0.44 0.93 -0.00 0.00 0.00 177.93 179.16 2pk2 h GLU 240 N 0.04 0.49 0.00 5.26 4.39 -1.52 1.43 114.58 124.68 2pk2 h GLU 240 Ca 0.34 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 60.00 2pk2 h GLU 240 Cb 0.54 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2pk2 h GLU 240 CO -0.64 0.33 -0.02 0.35 -1.16 0.00 0.00 179.01 177.87 2pk2 h PHE 241 N 0.51 0.00 -0.05 4.33 -0.00 -0.64 0.40 116.94 121.49 2pk2 h PHE 241 Ca 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.51 2pk2 h PHE 241 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.89 2pk2 h PHE 241 CO -0.10 0.02 0.00 1.28 -0.00 0.00 0.00 178.31 179.51 2pk2 n LEU 242 N -3.78 0.35 -0.13 0.59 4.77 0.49 -3.16 117.00 116.13 2pk2 n LEU 242 Ca -0.03 -0.17 -0.26 0.00 -0.03 0.00 0.00 56.01 55.52 2pk2 n LEU 242 Cb 0.11 -0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 41.03 2pk2 n LEU 242 CO 0.28 0.08 -1.22 0.00 -1.33 0.00 0.00 177.39 175.19 2pk2 n GLN 243 N -0.33 0.58 -0.04 3.23 6.02 0.14 -3.66 117.38 123.32 2pk2 n GLN 243 Ca 0.02 0.31 -0.15 0.00 -0.01 0.00 0.00 57.00 57.17 2pk2 n GLN 243 Cb 0.06 -1.53 -0.08 0.00 1.02 0.00 0.00 30.24 29.71 2pk2 n GLN 243 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2pk2 h ILE 244 N -1.00 1.38 -0.99 5.09 5.03 -1.66 -3.16 117.51 122.21 2pk2 h ILE 244 Ca -0.58 -1.64 0.02 0.00 -0.12 0.00 0.00 64.86 62.55 2pk2 h ILE 244 Cb 1.49 2.11 -0.05 0.00 -3.03 0.00 0.00 36.82 37.34 2pk2 h ILE 244 CO -0.35 0.48 0.65 -0.07 -0.68 0.00 0.00 178.15 178.18 2pk2 h LEU 245 N 0.02 1.11 -1.19 1.44 3.38 -1.80 0.23 115.31 118.50 2pk2 h LEU 245 Ca -0.01 -0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.08 2pk2 h LEU 245 Cb 0.94 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 41.35 2pk2 h LEU 245 CO 0.07 0.78 0.59 -0.33 0.09 0.00 0.00 178.44 179.65 2pk2 h GLU 246 N 1.30 0.77 0.00 1.13 4.39 -1.62 -3.24 114.58 117.31 2pk2 h GLU 246 Ca 0.37 -0.05 -0.22 0.00 0.34 0.00 0.00 59.36 59.81 2pk2 h GLU 246 Cb -0.09 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.35 2pk2 h GLU 246 CO -0.10 0.51 -1.81 1.17 -1.16 0.00 0.00 179.01 177.62 2pk2 n LYS 247 N -4.59 1.52 -1.56 2.33 3.00 -1.01 -4.90 118.16 112.96 2pk2 n LYS 247 Ca 0.18 0.03 -0.44 0.00 -0.00 0.00 0.00 58.31 58.08 2pk2 n LYS 247 Cb 0.44 -1.30 -0.04 0.00 0.00 0.00 0.00 35.03 34.13 2pk2 n LYS 247 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2pk2 n THR 248 N -2.60 0.26 0.39 3.15 -2.24 0.77 -4.77 114.28 109.24 2pk2 n THR 248 Ca -0.21 -0.45 0.03 0.00 -2.27 0.00 0.00 64.05 61.15 2pk2 n THR 248 Cb 0.84 -2.36 0.16 0.00 -2.10 0.00 0.00 70.33 66.87 2pk2 n THR 248 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2pk2 n PRO 249 N 8.66 2.42 -0.06 -0.78 -0.05 -1.26 -3.30 135.00 140.63 2pk2 n PRO 249 Ca 0.34 -1.26 -0.07 0.00 -0.05 0.00 0.00 63.50 62.46 2pk2 n PRO 249 Cb 0.40 -1.69 -0.02 0.00 -0.05 0.00 0.00 33.50 32.14 2pk2 n PRO 249 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 175.50 173.74 2pk2 n ASN 250 N 0.29 1.65 0.02 3.54 5.15 -1.26 -4.70 115.26 119.95 2pk2 n ASN 250 Ca 0.11 0.27 0.03 0.00 -0.60 0.00 0.00 54.58 54.40 2pk2 n ASN 250 Cb 0.56 -0.65 -0.09 0.00 -0.53 0.00 0.00 39.78 39.07 2pk2 n ASN 250 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 2pk2 n ARG 251 N -4.15 0.63 -0.21 1.20 0.63 -1.26 -4.19 116.66 109.32 2pk2 n ARG 251 Ca -0.11 0.08 0.02 0.00 -0.92 0.00 0.00 57.85 56.93 2pk2 n ARG 251 Cb 0.39 -1.72 0.12 0.00 0.45 0.00 0.00 32.46 31.71 2pk2 n ARG 251 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2pk2 h LEU 252 N 0.00 0.01 -2.59 6.15 5.85 -1.83 0.65 115.31 123.56 2pk2 h LEU 252 Ca -0.15 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 2pk2 h LEU 252 Cb 1.43 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.62 2pk2 h LEU 252 CO 0.02 0.00 -0.01 0.11 -0.34 0.00 0.00 178.44 178.23 2pk2 h LYS 253 N 0.27 0.00 0.48 1.25 1.57 -1.81 0.22 116.57 118.54 2pk2 h LYS 253 Ca 0.34 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.09 2pk2 h LYS 253 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2pk2 h LYS 253 CO -0.42 0.01 -0.23 -0.09 -0.57 0.00 0.00 179.45 178.15 2pk2 h ARG 254 N 0.00 -0.61 0.00 3.15 2.43 0.13 -2.54 114.38 116.93 2pk2 h ARG 254 Ca -0.00 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2pk2 h ARG 254 Cb 0.11 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2pk2 h ARG 254 CO 0.00 -0.31 0.00 -0.89 -1.51 0.00 0.00 179.97 177.26 2pk2 n ILE 255 N -5.27 0.83 0.25 1.20 -0.00 -0.99 0.19 119.36 115.58 2pk2 n ILE 255 Ca -0.11 0.20 0.13 0.00 -0.00 0.00 0.00 62.75 62.97 2pk2 n ILE 255 Cb 0.31 -0.96 0.63 0.00 -0.00 0.00 0.00 39.64 39.61 2pk2 n ILE 255 CO 0.00 0.00 0.00 -0.50 -0.00 0.00 0.00 176.55 176.05 2pk2 h TRP 256 N 0.00 0.00 0.00 1.39 4.06 -0.15 -3.35 115.95 117.91 2pk2 h TRP 256 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2pk2 h TRP 256 Cb 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.48 2pk2 h TRP 256 CO 0.00 0.13 0.00 0.09 -3.56 0.00 0.00 178.44 175.10 2pk2 n ASN 257 N -3.35 0.00 0.21 -3.49 5.03 -0.86 -4.80 115.26 108.01 2pk2 n ASN 257 Ca -0.00 -0.07 0.15 0.00 0.87 0.00 0.00 54.58 55.52 2pk2 n ASN 257 Cb 0.33 0.11 0.67 0.00 -1.02 0.00 0.00 39.78 39.87 2pk2 n ASN 257 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.26 175.18 2pk2 h TRP 258 N 0.00 0.00 -0.21 3.10 7.01 0.19 -0.42 115.95 125.63 2pk2 h TRP 258 Ca 0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 2pk2 h TRP 258 Cb 0.01 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.07 2pk2 h TRP 258 CO 0.00 0.00 0.00 0.54 -2.79 0.00 0.00 178.44 176.19 2pk2 n ARG 259 N -2.65 2.17 -0.36 2.65 5.12 -1.26 -3.82 116.66 118.51 2pk2 n ARG 259 Ca 0.00 -1.04 0.08 0.00 -1.93 0.00 0.00 57.85 54.96 2pk2 n ARG 259 Cb 0.21 -1.64 0.25 0.00 -1.16 0.00 0.00 32.46 30.12 2pk2 n ARG 259 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2pk2 n ALA 260 N 0.22 2.64 -2.78 7.54 0.00 -0.17 -4.58 120.51 123.39 2pk2 n ALA 260 Ca 0.09 -1.05 -0.10 0.00 0.00 0.00 0.00 53.44 52.38 2pk2 n ALA 260 Cb 0.49 -0.98 0.08 0.00 0.00 0.00 0.00 19.45 19.04 2pk2 n ALA 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pk2 n GLU 262 N -0.03 1.30 0.00 0.00 1.02 -1.26 -5.16 120.64 116.51 2pk2 n GLU 262 Ca 0.06 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.31 2pk2 n GLU 262 Cb 0.76 -0.78 0.09 0.00 -0.02 0.00 0.00 31.44 31.49 2pk2 n GLU 262 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31