#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rkb n GLU 12 N 0.00 1.33 -1.38 -1.09 -0.58 -1.26 -4.92 120.64 112.74 2rkb n GLU 12 Ca 0.00 0.48 -0.33 0.00 -0.42 0.00 0.00 57.16 56.90 2rkb n GLU 12 Cb 0.00 -2.16 0.09 0.00 -0.57 0.00 0.00 31.44 28.80 2rkb n GLU 12 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2rkb s PRO 13 N 1.33 2.21 0.22 3.49 0.04 -1.26 -4.94 135.00 136.09 2rkb s PRO 13 Ca 0.87 1.46 0.24 0.00 0.04 0.00 0.00 61.00 63.61 2rkb s PRO 13 Cb -0.93 -1.87 0.42 0.00 0.04 0.00 0.00 34.50 32.16 2rkb s PRO 13 CO 0.50 -1.72 1.46 0.74 0.04 0.00 0.00 177.00 178.01 2rkb h PHE 14 N -0.65 0.00 -4.29 0.56 0.04 -1.89 -3.46 116.94 107.26 2rkb h PHE 14 Ca -0.46 0.00 -0.50 0.00 2.80 0.00 0.00 57.97 59.82 2rkb h PHE 14 Cb 1.26 0.00 0.06 0.00 2.20 0.00 0.00 35.95 39.47 2rkb h PHE 14 CO 0.53 0.00 0.37 -3.38 -0.60 0.00 0.00 178.31 175.23 2rkb s HIS 15 N -3.19 3.48 0.29 -0.55 -3.43 -1.26 -4.76 115.29 105.86 2rkb s HIS 15 Ca 0.07 1.11 0.11 0.00 -0.80 0.00 0.00 55.06 55.55 2rkb s HIS 15 Cb 0.11 -2.82 -0.05 0.00 -1.43 0.00 0.00 32.58 28.39 2rkb s HIS 15 CO 0.69 -0.86 -0.15 0.14 -2.00 0.00 0.00 174.74 172.57 2rkb s VAL 16 N -3.20 2.64 -0.48 -5.38 -7.23 -1.26 -5.04 120.40 100.45 2rkb s VAL 16 Ca 0.56 -2.28 -0.28 0.00 -1.81 0.00 0.00 61.98 58.16 2rkb s VAL 16 Cb -0.11 -2.45 0.01 0.00 0.56 0.00 0.00 36.38 34.39 2rkb s VAL 16 CO 0.52 -0.37 1.49 -0.69 -0.31 0.00 0.00 175.10 175.73 2rkb s VAL 17 N -2.48 3.77 0.42 1.32 1.01 -1.26 -4.98 120.40 118.20 2rkb s VAL 17 Ca 0.31 0.72 -0.21 0.00 0.00 0.00 0.00 61.98 62.80 2rkb s VAL 17 Cb -0.04 -4.22 -0.11 0.00 0.00 0.00 0.00 36.38 32.01 2rkb s VAL 17 CO 0.16 -0.90 0.94 0.42 0.00 0.00 0.00 175.10 175.72 2rkb s THR 18 N 6.12 4.39 0.45 3.92 -4.23 -1.26 -5.02 115.64 120.00 2rkb s THR 18 Ca 0.60 1.49 -0.25 0.00 -1.18 0.00 0.00 61.69 62.35 2rkb s THR 18 Cb -0.13 -3.63 -0.08 0.00 1.34 0.00 0.00 72.50 70.00 2rkb s THR 18 CO 0.29 -0.28 1.34 -2.84 -0.54 0.00 0.00 174.62 172.58 2rkb s PRO 19 N -3.09 3.71 -0.63 3.99 0.02 -1.26 -4.77 135.00 132.97 2rkb s PRO 19 Ca 0.61 2.21 -0.01 0.00 0.02 0.00 0.00 61.00 63.82 2rkb s PRO 19 Cb -0.10 -2.60 0.16 0.00 0.02 0.00 0.00 34.50 31.98 2rkb s PRO 19 CO 0.14 -0.72 0.44 -1.17 -0.33 0.00 0.00 177.00 175.36 2rkb s LEU 20 N -2.77 5.07 -0.04 -5.54 2.96 -1.26 -1.77 118.68 115.33 2rkb s LEU 20 Ca 0.61 -3.00 -0.19 0.00 -0.22 0.00 0.00 54.13 51.33 2rkb s LEU 20 Cb -0.39 -1.81 -0.05 0.00 0.50 0.00 0.00 46.19 44.44 2rkb s LEU 20 CO 0.49 -0.31 0.52 -0.76 -1.32 0.00 0.00 176.35 174.97 2rkb s LEU 21 N -0.28 4.39 -0.18 -0.68 1.43 -0.37 -4.78 118.68 118.20 2rkb s LEU 21 Ca 0.18 1.01 -0.24 0.00 -1.03 0.00 0.00 54.13 54.05 2rkb s LEU 21 Cb -0.20 -2.78 -0.02 0.00 0.03 0.00 0.00 46.19 43.22 2rkb s LEU 21 CO -0.04 0.12 0.78 -0.70 0.23 0.00 0.00 176.35 176.74 2rkb s GLU 22 N -0.14 4.27 -0.30 1.70 2.12 -1.26 0.10 118.70 125.20 2rkb s GLU 22 Ca 0.28 0.92 -0.14 0.00 0.36 0.00 0.00 54.97 56.39 2rkb s GLU 22 Cb -0.17 -3.58 -0.03 0.00 0.26 0.00 0.00 34.13 30.61 2rkb s GLU 22 CO 0.14 -0.31 0.31 0.45 -0.54 0.00 0.00 175.26 175.31 2rkb s SER 23 N 1.17 6.15 0.04 -1.70 0.15 0.10 -4.97 113.70 114.65 2rkb s SER 23 Ca 0.36 0.02 -0.32 0.00 0.70 0.00 0.00 55.95 56.71 2rkb s SER 23 Cb -0.16 -2.18 -0.18 0.00 -1.71 0.00 0.00 66.02 61.79 2rkb s SER 23 CO 0.12 -0.19 1.40 -0.25 1.20 0.00 0.00 173.24 175.52 2rkb h TRP 24 N 8.33 -0.93 -0.13 3.44 7.01 -1.96 0.23 115.95 131.94 2rkb h TRP 24 Ca -0.32 -0.02 0.05 0.00 2.11 0.00 0.00 58.89 60.70 2rkb h TRP 24 Cb 1.16 0.31 -0.06 0.00 -2.10 0.00 0.00 29.16 28.47 2rkb h TRP 24 CO 0.73 -0.56 -0.26 0.00 -2.79 0.00 0.00 178.44 175.56 2rkb h ALA 25 N -0.99 -0.26 -0.64 2.65 0.00 -1.93 0.30 119.26 118.39 2rkb h ALA 25 Ca -0.10 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2rkb h ALA 25 Cb 0.79 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 2rkb h ALA 25 CO 0.17 -0.73 0.38 -0.07 0.00 0.00 0.00 179.25 179.00 2rkb h LEU 26 N -0.33 0.60 -0.18 0.00 -0.00 -1.93 -1.40 115.31 112.06 2rkb h LEU 26 Ca 0.10 0.01 0.02 0.00 -0.00 0.00 0.00 57.88 58.01 2rkb h LEU 26 Cb 0.48 -0.11 -0.02 0.00 -0.00 0.00 0.00 40.66 41.01 2rkb h LEU 26 CO -0.32 0.41 0.07 0.28 -0.00 0.00 0.00 178.44 178.88 2rkb h SER 27 N 0.73 0.09 -0.18 -0.43 0.02 0.42 0.36 113.55 114.57 2rkb h SER 27 Ca 0.27 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.28 2rkb h SER 27 Cb 0.07 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.56 2rkb h SER 27 CO -0.13 0.08 -0.22 1.56 -1.14 0.00 0.00 176.83 176.97 2rkb h GLN 28 N 0.16 -0.25 -0.25 3.45 1.08 0.06 0.36 115.11 119.72 2rkb h GLN 28 Ca 0.08 0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.29 2rkb h GLN 28 Cb 0.04 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 2rkb h GLN 28 CO -0.07 -0.17 0.12 0.28 -0.95 0.00 0.00 178.83 178.04 2rkb h VAL 29 N -0.26 1.14 0.00 -0.54 2.07 -0.91 -2.92 116.25 114.84 2rkb h VAL 29 Ca 0.12 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 2rkb h VAL 29 Cb 0.43 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2rkb h VAL 29 CO -0.33 0.14 -0.27 0.00 0.02 0.00 0.00 177.57 177.13 2rkb h ALA 30 N 0.98 1.11 0.00 1.67 0.00 0.11 -3.47 119.26 119.66 2rkb h ALA 30 Ca 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2rkb h ALA 30 Cb 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2rkb h ALA 30 CO -0.01 0.34 0.00 0.41 0.00 0.00 0.00 179.25 179.99 2rkb n GLY 31 N -0.07 0.46 3.53 0.00 0.00 0.12 -4.71 105.19 104.52 2rkb n GLY 31 Ca -0.01 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 2rkb n GLY 31 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2rkb s MET 32 N -2.04 0.74 0.11 1.61 0.23 -1.01 -5.01 119.30 113.94 2rkb s MET 32 Ca 0.00 -0.13 -0.32 0.00 -1.03 0.00 0.00 55.69 54.21 2rkb s MET 32 Cb 0.00 0.34 -0.12 0.00 -1.53 0.00 0.00 34.83 33.53 2rkb s MET 32 CO 0.00 -0.29 1.79 -0.35 -2.03 0.00 0.00 175.02 174.13 2rkb n PRO 33 N 0.12 2.61 -4.59 3.16 -0.04 -1.26 -4.22 135.00 130.78 2rkb n PRO 33 Ca -0.09 0.95 -0.33 0.00 -0.04 0.00 0.00 63.50 63.98 2rkb n PRO 33 Cb 0.60 -2.81 -0.15 0.00 -0.04 0.00 0.00 33.50 31.10 2rkb n PRO 33 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2rkb s VAL 34 N 2.42 2.99 -0.11 0.52 1.01 -1.26 -1.67 120.40 124.30 2rkb s VAL 34 Ca 0.82 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2rkb s VAL 34 Cb -0.54 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 2rkb s VAL 34 CO 0.38 0.51 -0.11 -0.36 0.00 0.00 0.00 175.10 175.52 2rkb s PHE 35 N 0.62 2.84 -0.27 5.22 0.40 -0.13 0.00 117.98 126.67 2rkb s PHE 35 Ca -0.07 -0.38 -0.09 0.00 -0.60 0.00 0.00 56.93 55.79 2rkb s PHE 35 Cb -0.15 -1.79 -0.03 0.00 0.51 0.00 0.00 43.02 41.55 2rkb s PHE 35 CO 0.03 -0.01 0.13 -0.51 0.70 0.00 0.00 175.22 175.55 2rkb s LEU 36 N -0.06 3.75 -0.65 -0.37 1.43 0.28 -0.48 118.68 122.57 2rkb s LEU 36 Ca -0.01 -0.16 -0.22 0.00 -1.03 0.00 0.00 54.13 52.71 2rkb s LEU 36 Cb -0.14 -2.01 0.08 0.00 0.03 0.00 0.00 46.19 44.15 2rkb s LEU 36 CO 0.03 -0.06 0.91 -0.75 0.23 0.00 0.00 176.35 176.72 2rkb s LYS 37 N 1.67 3.11 -1.13 1.70 2.47 -0.46 -1.24 119.74 125.86 2rkb s LYS 37 Ca 0.06 -0.97 -0.21 0.00 -1.56 0.00 0.00 55.97 53.29 2rkb s LYS 37 Cb -0.16 -4.26 -0.07 0.00 -1.46 0.00 0.00 37.83 31.88 2rkb s LYS 37 CO 0.07 -1.76 1.91 0.00 0.16 0.00 0.00 175.35 175.74 2rkb n GLU 39 N 7.88 0.45 0.18 0.00 -0.58 -0.38 -2.77 120.64 125.41 2rkb n GLU 39 Ca 0.47 0.03 0.14 0.00 -0.42 0.00 0.00 57.16 57.37 2rkb n GLU 39 Cb 0.45 -1.50 0.50 0.00 -0.57 0.00 0.00 31.44 30.31 2rkb n GLU 39 CO 0.00 0.00 0.00 -2.95 -0.48 0.00 0.00 177.13 173.70 2rkb h ASN 40 N 0.00 0.00 -0.71 1.62 -1.07 -1.56 -2.88 115.58 110.98 2rkb h ASN 40 Ca 0.00 0.00 -0.41 0.00 0.07 0.00 0.00 56.30 55.96 2rkb h ASN 40 Cb 0.22 0.00 -0.24 0.00 -2.07 0.00 0.00 38.32 36.23 2rkb h ASN 40 CO 0.00 0.00 0.23 1.33 0.07 0.00 0.00 177.43 179.06 2rkb n VAL 41 N -2.57 2.95 -3.24 6.14 0.24 -1.11 -4.61 118.33 116.13 2rkb n VAL 41 Ca 0.03 -2.70 -0.34 0.00 -2.04 0.00 0.00 64.34 59.28 2rkb n VAL 41 Cb 0.32 -0.60 -0.06 0.00 -1.47 0.00 0.00 33.84 32.03 2rkb n VAL 41 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2rkb s GLN 42 N -3.41 4.04 0.33 7.34 -1.52 -1.09 -4.98 119.66 120.38 2rkb s GLN 42 Ca 0.53 0.62 0.10 0.00 -1.95 0.00 0.00 55.36 54.65 2rkb s GLN 42 Cb 0.45 -2.77 1.00 0.00 -0.22 0.00 0.00 33.01 31.47 2rkb s GLN 42 CO 0.03 0.36 1.59 -1.00 -0.25 0.00 0.00 175.29 176.02 2rkb h PRO 43 N 3.08 0.04 -0.01 2.91 0.13 -1.86 0.15 132.00 136.45 2rkb h PRO 43 Ca -0.48 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2rkb h PRO 43 Cb 1.19 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2rkb h PRO 43 CO 0.66 0.03 -0.07 -1.13 -0.23 0.00 0.00 178.00 177.26 2rkb n SER 44 N -5.35 0.65 0.00 1.44 3.41 -1.26 -4.90 113.62 107.62 2rkb n SER 44 Ca 0.29 -0.91 0.00 0.00 -0.26 0.00 0.00 58.87 57.99 2rkb n SER 44 Cb 0.97 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.89 2rkb n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rkb n GLY 45 N 1.20 0.49 3.82 5.00 0.00 0.54 -4.63 105.19 111.61 2rkb n GLY 45 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 2rkb n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rkb s SER 46 N -2.05 -0.12 0.63 1.61 1.04 -1.23 -1.89 113.70 111.70 2rkb s SER 46 Ca 0.00 -0.70 0.39 0.00 0.48 0.00 0.00 55.95 56.12 2rkb s SER 46 Cb 0.00 0.64 2.12 0.00 0.10 0.00 0.00 66.02 68.88 2rkb s SER 46 CO 0.00 -1.23 2.29 2.19 0.98 0.00 0.00 173.24 177.46 2rkb h PHE 47 N 2.00 0.00 -1.02 5.02 -5.15 -1.56 -3.22 116.94 113.01 2rkb h PHE 47 Ca -0.25 0.00 0.35 0.00 -0.20 0.00 0.00 57.97 57.87 2rkb h PHE 47 Cb 1.24 0.00 -0.16 0.00 0.22 0.00 0.00 35.95 37.25 2rkb h PHE 47 CO 0.83 0.01 0.57 0.87 -2.00 0.00 0.00 178.31 178.60 2rkb h LYS 48 N 0.00 0.22 -0.16 6.09 1.79 -1.91 0.74 116.57 123.34 2rkb h LYS 48 Ca -0.00 -0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.50 2rkb h LYS 48 Cb 0.09 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 2rkb h LYS 48 CO 0.00 0.14 0.22 0.97 -1.08 0.00 0.00 179.45 179.71 2rkb h ILE 49 N 0.23 0.34 0.14 1.86 6.09 -1.90 -0.84 117.51 123.43 2rkb h ILE 49 Ca 0.77 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 64.25 2rkb h ILE 49 Cb 1.87 0.81 0.00 0.00 0.47 0.00 0.00 36.82 39.97 2rkb h ILE 49 CO -0.64 0.00 -0.07 0.03 -3.07 0.00 0.00 178.15 174.40 2rkb h ARG 50 N 0.00 -0.18 0.07 2.19 3.08 -1.13 0.25 114.38 118.66 2rkb h ARG 50 Ca 0.08 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 2rkb h ARG 50 Cb 0.52 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.61 2rkb h ARG 50 CO -0.00 -0.12 -0.04 0.78 -1.07 0.00 0.00 179.97 179.52 2rkb h GLY 51 N -0.19 -0.10 1.24 0.04 0.00 -1.62 -2.13 103.07 100.30 2rkb h GLY 51 Ca -0.02 0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 2rkb h GLY 51 CO 0.03 -0.04 0.27 -2.22 0.00 0.00 0.00 176.54 174.58 2rkb h ILE 52 N -0.39 1.23 -0.53 2.60 2.04 -1.29 0.15 117.51 121.33 2rkb h ILE 52 Ca -0.01 -0.72 -0.03 0.00 1.00 0.00 0.00 64.86 65.10 2rkb h ILE 52 Cb 0.33 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 2rkb h ILE 52 CO 0.02 0.29 0.22 1.23 0.00 0.00 0.00 178.15 179.91 2rkb h GLY 53 N 1.04 0.84 1.18 5.37 0.00 -0.48 -0.94 103.07 110.08 2rkb h GLY 53 Ca 0.22 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 47.01 2rkb h GLY 53 CO -0.02 0.42 -0.04 0.84 0.00 0.00 0.00 176.54 177.74 2rkb h HIS 54 N 0.71 1.06 -0.05 5.60 -0.00 -0.84 -1.56 115.15 120.07 2rkb h HIS 54 Ca 0.18 -0.19 0.02 0.00 -0.00 0.00 0.00 60.37 60.38 2rkb h HIS 54 Cb 0.18 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 27.29 2rkb h HIS 54 CO 0.00 0.97 -0.05 0.35 -0.00 0.00 0.00 177.93 179.20 2rkb h PHE 55 N 0.89 -0.12 -0.70 5.26 3.57 -0.27 -0.98 116.94 124.59 2rkb h PHE 55 Ca 0.15 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 2rkb h PHE 55 Cb 0.57 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.34 2rkb h PHE 55 CO 0.04 -0.08 0.34 0.00 -2.23 0.00 0.00 178.31 176.37 2rkb h GLN 57 N 0.98 0.94 -0.29 0.00 4.20 -0.90 0.10 115.11 120.13 2rkb h GLN 57 Ca 0.24 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.77 2rkb h GLN 57 Cb 0.12 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2rkb h GLN 57 CO -0.03 0.70 -0.09 0.93 -0.67 0.00 0.00 178.83 179.67 2rkb h GLU 58 N 0.94 0.58 -0.22 1.46 4.39 -0.73 -1.54 114.58 119.46 2rkb h GLU 58 Ca 0.24 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 2rkb h GLU 58 Cb 0.06 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 2rkb h GLU 58 CO -0.04 0.79 0.10 0.52 -1.16 0.00 0.00 179.01 179.23 2rkb h MET 59 N 0.34 0.30 0.23 2.33 2.86 -0.72 0.78 114.93 121.06 2rkb h MET 59 Ca 0.07 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 2rkb h MET 59 Cb 0.59 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.18 2rkb h MET 59 CO 0.03 0.24 -0.11 0.00 1.06 0.00 0.00 176.91 178.13 2rkb h ALA 60 N 1.81 -0.31 -0.74 6.32 0.00 -0.35 0.26 119.26 126.25 2rkb h ALA 60 Ca 0.08 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.95 2rkb h ALA 60 Cb 0.04 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 2rkb h ALA 60 CO -0.01 -0.58 0.39 0.87 0.00 0.00 0.00 179.25 179.91 2rkb h LYS 61 N -0.50 0.63 0.00 0.00 1.57 -0.46 0.24 116.57 118.05 2rkb h LYS 61 Ca -0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2rkb h LYS 61 Cb 0.37 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2rkb h LYS 61 CO 0.05 0.42 0.00 1.17 -0.57 0.00 0.00 179.45 180.52 2rkb n LYS 62 N -4.83 0.30 -1.45 3.15 4.81 0.19 -4.81 118.16 115.52 2rkb n LYS 62 Ca 0.12 0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 2rkb n LYS 62 Cb 0.27 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.82 2rkb n LYS 62 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2rkb n GLY 63 N -0.30 0.98 3.72 3.14 0.00 0.83 -5.05 105.19 108.50 2rkb n GLY 63 Ca 0.08 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 2rkb n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rkb n ARG 65 N 3.63 2.51 -3.65 0.00 3.00 0.18 -4.74 116.66 117.58 2rkb n ARG 65 Ca 0.06 -0.21 -0.07 0.00 -0.01 0.00 0.00 57.85 57.62 2rkb n ARG 65 Cb 0.50 -1.13 -0.07 0.00 0.00 0.00 0.00 32.46 31.75 2rkb n ARG 65 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2rkb s HIS 66 N -2.06 -1.01 -0.14 -1.55 2.46 -0.84 -4.10 115.29 108.06 2rkb s HIS 66 Ca 0.07 1.96 -0.05 0.00 0.47 0.00 0.00 55.06 57.51 2rkb s HIS 66 Cb 0.10 0.57 -0.03 0.00 -0.13 0.00 0.00 32.58 33.09 2rkb s HIS 66 CO 0.47 -0.51 0.02 -0.51 -2.47 0.00 0.00 174.74 171.74 2rkb s LEU 67 N 1.89 3.60 0.14 8.88 1.43 -0.35 -1.60 118.68 132.67 2rkb s LEU 67 Ca -0.09 0.06 0.08 0.00 -1.03 0.00 0.00 54.13 53.16 2rkb s LEU 67 Cb -0.07 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 2rkb s LEU 67 CO -0.18 0.25 -0.19 0.54 0.23 0.00 0.00 176.35 177.00 2rkb s VAL 68 N -0.10 1.77 -0.10 -1.59 0.11 -0.43 -0.50 120.40 119.56 2rkb s VAL 68 Ca 0.05 -1.77 -0.21 0.00 -2.93 0.00 0.00 61.98 57.12 2rkb s VAL 68 Cb -0.13 -1.72 0.05 0.00 -1.53 0.00 0.00 36.38 33.05 2rkb s VAL 68 CO 0.02 -0.22 0.51 0.00 -3.33 0.00 0.00 175.10 172.08 2rkb n SER 70 N 1.74 3.42 -4.53 0.00 3.41 -1.26 -0.84 113.62 115.56 2rkb n SER 70 Ca -0.18 -2.35 -0.38 0.00 -0.26 0.00 0.00 58.87 55.70 2rkb n SER 70 Cb 0.56 -0.37 -0.11 0.00 -0.26 0.00 0.00 64.21 64.03 2rkb n SER 70 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2rkb s SER 71 N -1.27 5.74 0.00 4.04 0.15 -1.26 -4.78 113.70 116.32 2rkb s SER 71 Ca 0.32 -0.14 0.27 0.00 0.70 0.00 0.00 55.95 57.10 2rkb s SER 71 Cb 0.21 -2.06 0.85 0.00 -1.71 0.00 0.00 66.02 63.32 2rkb s SER 71 CO 0.15 -0.07 1.63 0.61 1.20 0.00 0.00 173.24 176.75 2rkb n GLY 72 N 5.02 -0.32 0.00 9.45 0.00 -1.26 -2.86 105.19 115.21 2rkb n GLY 72 Ca -0.14 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2rkb n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rkb n GLY 73 N 1.27 1.24 0.29 -0.02 0.00 -1.26 -4.71 105.19 102.01 2rkb n GLY 73 Ca 0.15 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.61 2rkb n GLY 73 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2rkb h ASN 74 N 0.00 0.56 -0.35 1.61 2.35 -1.96 -1.38 115.58 116.41 2rkb h ASN 74 Ca 0.00 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 2rkb h ASN 74 Cb 0.00 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 2rkb h ASN 74 CO 0.00 0.55 0.18 0.00 -1.65 0.00 0.00 177.43 176.50 2rkb h ALA 75 N 1.54 0.45 -0.35 -0.83 0.00 -1.92 -0.97 119.26 117.18 2rkb h ALA 75 Ca 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2rkb h ALA 75 Cb 0.19 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2rkb h ALA 75 CO -0.01 0.00 0.18 0.78 0.00 0.00 0.00 179.25 180.21 2rkb h GLY 76 N 0.43 0.52 0.87 0.00 0.00 -1.25 0.19 103.07 103.84 2rkb h GLY 76 Ca 0.12 -0.25 0.03 0.00 0.00 0.00 0.00 47.33 47.24 2rkb h GLY 76 CO -0.02 0.23 0.47 -2.22 0.00 0.00 0.00 176.54 175.00 2rkb h ILE 77 N 0.43 1.11 -0.12 2.60 2.04 -1.09 0.16 117.51 122.63 2rkb h ILE 77 Ca 0.12 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 2rkb h ILE 77 Cb 0.08 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 2rkb h ILE 77 CO -0.02 0.17 0.06 0.00 0.00 0.00 0.00 178.15 178.35 2rkb h ALA 78 N 1.31 0.16 -0.09 1.87 0.00 -0.78 0.32 119.26 122.06 2rkb h ALA 78 Ca 0.30 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.16 2rkb h ALA 78 Cb 0.02 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 2rkb h ALA 78 CO -0.11 -0.27 -0.27 0.00 0.00 0.00 0.00 179.25 178.60 2rkb h ALA 79 N 0.91 -0.30 -0.37 0.00 0.00 0.07 0.17 119.26 119.74 2rkb h ALA 79 Ca 0.04 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2rkb h ALA 79 Cb 0.14 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 2rkb h ALA 79 CO -0.00 -0.74 0.02 0.00 0.00 0.00 0.00 179.25 178.52 2rkb h ALA 80 N 0.52 0.36 0.10 0.00 0.00 -0.54 0.17 119.26 119.86 2rkb h ALA 80 Ca 0.09 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2rkb h ALA 80 Cb 0.49 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2rkb h ALA 80 CO -0.29 -0.38 -0.17 -0.92 0.00 0.00 0.00 179.25 177.48 2rkb h TYR 81 N 0.13 -0.45 -0.43 0.00 3.20 -0.19 0.86 116.97 120.09 2rkb h TYR 81 Ca 0.18 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.09 2rkb h TYR 81 Cb 0.24 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.66 2rkb h TYR 81 CO -0.24 -0.25 0.22 0.00 -1.64 0.00 0.00 178.16 176.25 2rkb h ALA 82 N 0.51 0.54 -0.25 1.82 0.00 -0.30 -0.69 119.26 120.88 2rkb h ALA 82 Ca 0.02 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2rkb h ALA 82 Cb 0.35 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2rkb h ALA 82 CO -0.09 -0.14 0.05 0.00 0.00 0.00 0.00 179.25 179.07 2rkb h ALA 83 N 1.23 0.26 -0.03 0.00 0.00 -0.30 -1.20 119.26 119.22 2rkb h ALA 83 Ca 0.19 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.16 2rkb h ALA 83 Cb 0.09 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2rkb h ALA 83 CO -0.13 -0.36 -0.08 -0.09 0.00 0.00 0.00 179.25 178.59 2rkb h ARG 84 N 0.15 -0.13 0.00 0.00 2.43 -0.26 0.61 114.38 117.18 2rkb h ARG 84 Ca 0.12 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2rkb h ARG 84 Cb 0.11 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2rkb h ARG 84 CO -0.15 -0.08 0.00 0.87 -1.51 0.00 0.00 179.97 179.10 2rkb h LYS 85 N -0.13 0.00 -0.01 0.20 1.79 -0.80 0.90 116.57 118.52 2rkb h LYS 85 Ca 0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2rkb h LYS 85 Cb 0.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 2rkb h LYS 85 CO -0.11 0.00 -0.53 1.28 -1.08 0.00 0.00 179.45 179.01 2rkb n LEU 86 N -2.49 1.88 -1.27 2.94 4.77 0.05 -4.96 117.00 117.92 2rkb n LEU 86 Ca -0.02 -0.73 -0.13 0.00 -0.03 0.00 0.00 56.01 55.10 2rkb n LEU 86 Cb 0.05 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 2rkb n LEU 86 CO 0.12 0.36 -0.15 0.61 -1.33 0.00 0.00 177.39 177.01 2rkb n GLY 87 N 1.42 0.49 3.53 -0.72 0.00 0.31 -5.00 105.19 105.21 2rkb n GLY 87 Ca 0.08 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 2rkb n GLY 87 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rkb s ILE 88 N -2.57 3.62 0.29 -0.61 1.01 -0.65 -5.03 121.20 117.25 2rkb s ILE 88 Ca 0.00 -0.49 -0.30 0.00 0.00 0.00 0.00 60.65 59.86 2rkb s ILE 88 Cb 0.00 -2.51 -0.13 0.00 0.01 0.00 0.00 42.46 39.84 2rkb s ILE 88 CO 0.00 0.56 1.43 -2.65 0.00 0.00 0.00 174.94 174.28 2rkb n PRO 89 N 2.71 2.26 -5.08 2.79 -0.02 -1.26 -4.28 135.00 132.12 2rkb n PRO 89 Ca -0.18 0.80 -0.32 0.00 -2.02 0.00 0.00 63.50 61.78 2rkb n PRO 89 Cb 0.53 -2.47 -0.16 0.00 -0.02 0.00 0.00 33.50 31.37 2rkb n PRO 89 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2rkb s ALA 90 N -0.35 2.31 -0.13 3.55 0.00 -1.26 -1.21 121.76 124.66 2rkb s ALA 90 Ca 0.63 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.65 2rkb s ALA 90 Cb -0.58 -0.93 0.02 0.00 0.00 0.00 0.00 23.12 21.63 2rkb s ALA 90 CO 0.53 0.29 -0.13 0.99 0.00 0.00 0.00 175.76 177.44 2rkb s THR 91 N 0.31 1.47 -0.20 0.00 2.01 0.35 -1.46 115.64 118.11 2rkb s THR 91 Ca -0.16 -0.58 -0.06 0.00 0.31 0.00 0.00 61.69 61.21 2rkb s THR 91 Cb -0.17 -1.38 -0.03 0.00 0.01 0.00 0.00 72.50 70.93 2rkb s THR 91 CO 0.08 0.44 0.03 -0.63 -0.69 0.00 0.00 174.62 173.85 2rkb s ILE 92 N 1.42 4.30 -0.25 1.82 -1.09 0.19 -0.84 121.20 126.74 2rkb s ILE 92 Ca 0.03 -0.20 0.03 0.00 -2.23 0.00 0.00 60.65 58.27 2rkb s ILE 92 Cb -0.13 -2.95 0.05 0.00 -1.58 0.00 0.00 42.46 37.85 2rkb s ILE 92 CO -0.08 0.43 -0.12 0.54 -1.23 0.00 0.00 174.94 174.47 2rkb s VAL 93 N 0.85 2.13 0.40 2.92 0.11 -0.02 -0.94 120.40 125.86 2rkb s VAL 93 Ca 0.02 -1.51 0.07 0.00 -2.93 0.00 0.00 61.98 57.64 2rkb s VAL 93 Cb -0.14 -2.19 -0.07 0.00 -1.53 0.00 0.00 36.38 32.45 2rkb s VAL 93 CO 0.02 0.07 0.04 -0.76 -3.33 0.00 0.00 175.10 171.14 2rkb s LEU 94 N 1.14 2.93 0.74 2.54 2.01 -0.79 -4.36 118.68 122.89 2rkb s LEU 94 Ca -0.07 -1.28 -0.11 0.00 0.01 0.00 0.00 54.13 52.69 2rkb s LEU 94 Cb -0.19 -1.05 0.04 0.00 0.01 0.00 0.00 46.19 45.00 2rkb s LEU 94 CO -0.06 -0.45 1.08 -2.16 1.01 0.00 0.00 176.35 175.76 2rkb s PRO 95 N -3.75 2.55 0.64 1.29 0.04 -1.26 -1.52 135.00 132.99 2rkb s PRO 95 Ca 0.36 0.85 0.39 0.00 0.04 0.00 0.00 61.00 62.65 2rkb s PRO 95 Cb 0.08 -1.95 2.22 0.00 0.04 0.00 0.00 34.50 34.88 2rkb s PRO 95 CO 0.19 -1.35 2.33 0.93 0.04 0.00 0.00 177.00 179.15 2rkb h GLU 96 N -0.90 0.00 0.00 4.56 5.08 -0.56 -0.62 114.58 122.14 2rkb h GLU 96 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2rkb h GLU 96 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2rkb h GLU 96 CO 0.57 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 179.24 2rkb h SER 97 N 0.00 0.00 -2.08 1.42 4.64 -1.79 -3.46 113.55 112.28 2rkb h SER 97 Ca 0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.69 2rkb h SER 97 Cb 0.00 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.17 2rkb h SER 97 CO -0.00 0.00 0.39 0.41 -0.87 0.00 0.00 176.83 176.76 2rkb n THR 98 N -2.49 0.75 -2.22 2.95 -1.04 -0.24 -4.93 114.28 107.07 2rkb n THR 98 Ca 0.03 -0.19 -0.39 0.00 -2.04 0.00 0.00 64.05 61.46 2rkb n THR 98 Cb 0.31 -1.01 -0.01 0.00 -1.82 0.00 0.00 70.33 67.79 2rkb n THR 98 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2rkb s SER 99 N 0.16 6.43 0.34 8.00 0.15 -1.26 -4.94 113.70 122.58 2rkb s SER 99 Ca 0.74 2.44 0.01 0.00 0.70 0.00 0.00 55.95 59.84 2rkb s SER 99 Cb -0.81 -2.62 0.59 0.00 -1.71 0.00 0.00 66.02 61.47 2rkb s SER 99 CO 0.50 -0.75 2.00 0.25 1.20 0.00 0.00 173.24 176.44 2rkb h LEU 100 N 2.62 0.77 -1.54 3.45 7.12 -1.98 -1.48 115.31 124.26 2rkb h LEU 100 Ca -0.49 -0.02 -0.00 0.00 0.13 0.00 0.00 57.88 57.50 2rkb h LEU 100 Cb 1.24 -0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 41.16 2rkb h LEU 100 CO 0.62 0.56 0.26 0.06 -0.13 0.00 0.00 178.44 179.82 2rkb h GLN 101 N 0.90 0.56 -0.12 1.25 3.07 -1.99 -0.01 115.11 118.79 2rkb h GLN 101 Ca 0.24 -0.04 -0.04 0.00 0.09 0.00 0.00 58.65 58.90 2rkb h GLN 101 Cb -0.09 -0.12 -0.00 0.00 0.08 0.00 0.00 27.48 27.34 2rkb h GLN 101 CO -0.05 0.39 -0.09 0.28 0.09 0.00 0.00 178.83 179.45 2rkb h VAL 102 N 0.58 1.34 -0.33 1.86 2.07 -1.67 -1.96 116.25 118.14 2rkb h VAL 102 Ca 0.15 -1.20 0.05 0.00 0.82 0.00 0.00 66.70 66.52 2rkb h VAL 102 Cb -0.03 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 2rkb h VAL 102 CO -0.03 0.34 0.08 0.58 0.02 0.00 0.00 177.57 178.56 2rkb h VAL 103 N -0.12 0.85 -0.61 2.57 2.07 -0.95 -1.67 116.25 118.39 2rkb h VAL 103 Ca 0.02 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 2rkb h VAL 103 Cb 0.59 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 2rkb h VAL 103 CO 0.02 0.04 0.37 1.56 0.02 0.00 0.00 177.57 179.58 2rkb h GLN 104 N 0.20 0.83 -0.66 1.57 4.20 -1.02 -0.31 115.11 119.93 2rkb h GLN 104 Ca 0.16 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.80 2rkb h GLN 104 Cb 0.16 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 2rkb h GLN 104 CO -0.19 0.60 0.44 -0.09 -0.67 0.00 0.00 178.83 178.91 2rkb h ARG 105 N 0.83 0.87 -0.30 1.46 9.65 -0.93 0.18 114.38 126.13 2rkb h ARG 105 Ca 0.22 -0.05 -0.12 0.00 -1.10 0.00 0.00 59.98 58.93 2rkb h ARG 105 Cb -0.02 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.35 2rkb h ARG 105 CO -0.04 0.58 -0.30 -0.07 2.80 0.00 0.00 179.97 182.93 2rkb h LEU 106 N 0.89 0.66 -1.42 3.80 3.38 -0.92 -1.67 115.31 120.03 2rkb h LEU 106 Ca 0.24 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2rkb h LEU 106 Cb -0.10 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 2rkb h LEU 106 CO -0.05 0.92 -0.29 1.56 0.09 0.00 0.00 178.44 180.67 2rkb h GLN 107 N 0.55 0.00 0.00 1.13 4.20 -0.44 -0.37 115.11 120.17 2rkb h GLN 107 Ca 0.07 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 2rkb h GLN 107 Cb 0.80 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.57 2rkb h GLN 107 CO 0.07 0.29 -0.08 0.78 -0.67 0.00 0.00 178.83 179.22 2rkb h GLY 108 N 1.07 0.00 -1.18 3.46 0.00 0.30 -0.17 103.07 106.55 2rkb h GLY 108 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2rkb h GLY 108 CO 0.04 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.76 2rkb n GLU 109 N -3.73 1.91 -0.83 4.80 -0.58 -0.17 -4.92 120.64 117.11 2rkb n GLU 109 Ca -0.02 -1.37 0.00 0.00 -0.42 0.00 0.00 57.16 55.35 2rkb n GLU 109 Cb 0.18 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 2rkb n GLU 109 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2rkb n GLY 110 N 1.21 0.51 3.88 0.62 0.00 -0.07 -4.58 105.19 106.76 2rkb n GLY 110 Ca 0.16 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 2rkb n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rkb s ALA 111 N -2.00 3.88 0.34 4.61 0.00 -1.07 -4.60 121.76 122.92 2rkb s ALA 111 Ca 0.00 -0.82 -0.15 0.00 0.00 0.00 0.00 51.96 50.99 2rkb s ALA 111 Cb 0.00 -1.79 -0.09 0.00 0.00 0.00 0.00 23.12 21.24 2rkb s ALA 111 CO 0.00 0.76 0.75 -1.83 0.00 0.00 0.00 175.76 175.44 2rkb s GLU 112 N -2.06 4.00 -0.24 0.00 -1.05 -0.54 -3.94 118.70 114.87 2rkb s GLU 112 Ca 0.28 0.68 0.01 0.00 -0.15 0.00 0.00 54.97 55.80 2rkb s GLU 112 Cb -0.13 -2.41 0.06 0.00 -0.44 0.00 0.00 34.13 31.21 2rkb s GLU 112 CO 0.20 0.13 -0.07 0.08 0.95 0.00 0.00 175.26 176.55 2rkb s VAL 113 N -2.03 1.71 -0.25 1.83 1.01 -1.26 -0.64 120.40 120.77 2rkb s VAL 113 Ca 0.54 -1.32 -0.11 0.00 0.00 0.00 0.00 61.98 61.10 2rkb s VAL 113 Cb -0.10 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 2rkb s VAL 113 CO 0.18 -0.06 0.19 -1.10 0.00 0.00 0.00 175.10 174.31 2rkb s GLN 114 N 1.32 4.03 -0.41 2.72 -0.21 -0.11 -5.00 119.66 121.99 2rkb s GLN 114 Ca -0.06 -0.24 -0.14 0.00 0.02 0.00 0.00 55.36 54.93 2rkb s GLN 114 Cb -0.19 -3.58 0.03 0.00 1.00 0.00 0.00 33.01 30.27 2rkb s GLN 114 CO -0.06 -0.04 0.30 -0.51 -2.12 0.00 0.00 175.29 172.86 2rkb s LEU 115 N 1.35 5.13 -0.00 2.90 2.01 -1.26 -1.88 118.68 126.93 2rkb s LEU 115 Ca 0.08 -1.01 -0.00 0.00 0.01 0.00 0.00 54.13 53.21 2rkb s LEU 115 Cb -0.14 -2.13 0.01 0.00 0.01 0.00 0.00 46.19 43.93 2rkb s LEU 115 CO 0.07 -0.48 0.01 0.42 1.01 0.00 0.00 176.35 177.38 2rkb s THR 116 N 1.64 -0.01 0.00 5.49 -4.23 -0.58 -4.69 115.64 113.26 2rkb s THR 116 Ca 0.04 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.59 2rkb s THR 116 Cb -0.20 -0.02 0.00 0.00 1.34 0.00 0.00 72.50 73.62 2rkb s THR 116 CO 0.09 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 2rkb n GLY 117 N 3.26 1.50 0.12 3.99 0.00 -1.26 -3.56 105.19 109.24 2rkb n GLY 117 Ca -0.15 -1.69 -0.16 0.00 0.00 0.00 0.00 46.02 44.02 2rkb n GLY 117 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2rkb h LYS 118 N 0.00 0.17 -6.37 1.61 1.63 -1.96 0.31 116.57 111.97 2rkb h LYS 118 Ca 0.00 -0.29 -0.61 0.00 -0.85 0.00 0.00 60.65 58.90 2rkb h LYS 118 Cb 0.00 0.11 -0.13 0.00 -0.60 0.00 0.00 32.23 31.61 2rkb h LYS 118 CO 0.00 0.95 -0.70 0.54 -3.45 0.00 0.00 179.45 176.78 2rkb s VAL 119 N -2.58 3.26 0.29 2.00 0.11 -1.26 -4.35 120.40 117.87 2rkb s VAL 119 Ca -0.14 -1.73 0.04 0.00 -2.93 0.00 0.00 61.98 57.21 2rkb s VAL 119 Cb 0.07 -2.65 0.29 0.00 -1.53 0.00 0.00 36.38 32.55 2rkb s VAL 119 CO 0.80 -0.19 1.79 -0.25 -3.33 0.00 0.00 175.10 173.92 2rkb h TRP 120 N 2.62 1.04 -0.60 1.54 7.01 -1.94 -2.45 115.95 123.17 2rkb h TRP 120 Ca -0.46 0.03 0.13 0.00 2.11 0.00 0.00 58.89 60.70 2rkb h TRP 120 Cb 1.22 -0.31 -0.10 0.00 -2.10 0.00 0.00 29.16 27.86 2rkb h TRP 120 CO 0.66 0.27 -0.02 -0.44 -2.79 0.00 0.00 178.44 176.13 2rkb h ASP 121 N 0.79 -0.31 -0.54 2.65 3.32 -1.97 0.14 116.42 120.50 2rkb h ASP 121 Ca 0.54 0.15 0.05 0.00 0.02 0.00 0.00 57.03 57.80 2rkb h ASP 121 Cb 0.77 0.28 -0.05 0.00 0.22 0.00 0.00 39.33 40.55 2rkb h ASP 121 CO -0.35 -0.13 0.27 -0.33 -1.72 0.00 0.00 179.24 176.98 2rkb h GLU 122 N 0.10 0.50 -0.75 3.56 5.08 -1.78 0.29 114.58 121.59 2rkb h GLU 122 Ca 0.31 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.62 2rkb h GLU 122 Cb 0.50 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2rkb h GLU 122 CO -0.53 0.33 0.39 0.00 -1.00 0.00 0.00 179.01 178.20 2rkb h ALA 123 N 1.30 0.96 -0.25 3.43 0.00 -1.17 0.14 119.26 123.66 2rkb h ALA 123 Ca 0.24 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2rkb h ALA 123 Cb 0.16 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2rkb h ALA 123 CO -0.17 0.50 0.09 -0.97 0.00 0.00 0.00 179.25 178.70 2rkb h ASN 124 N 1.04 0.35 -0.79 0.00 -1.24 0.30 0.03 115.58 115.26 2rkb h ASN 124 Ca 0.26 -0.18 0.04 0.00 0.71 0.00 0.00 56.30 57.13 2rkb h ASN 124 Cb 0.07 -0.09 -0.05 0.00 0.73 0.00 0.00 38.32 38.98 2rkb h ASN 124 CO -0.04 0.44 0.50 -0.07 -1.29 0.00 0.00 177.43 176.96 2rkb h LEU 125 N 0.25 0.80 -1.13 0.34 4.07 -0.12 -1.34 115.31 118.18 2rkb h LEU 125 Ca 0.08 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.04 2rkb h LEU 125 Cb 0.20 -0.17 -0.04 0.00 1.08 0.00 0.00 40.66 41.74 2rkb h LEU 125 CO -0.01 0.54 0.47 -0.09 -1.08 0.00 0.00 178.44 178.27 2rkb h ARG 126 N 0.94 1.07 -0.54 1.13 9.65 -0.47 0.61 114.38 126.77 2rkb h ARG 126 Ca 0.33 -0.09 -0.05 0.00 -1.10 0.00 0.00 59.98 59.06 2rkb h ARG 126 Cb 0.07 -0.23 -0.02 0.00 -1.39 0.00 0.00 29.97 28.41 2rkb h ARG 126 CO -0.14 0.75 0.14 0.00 2.80 0.00 0.00 179.97 183.52 2rkb h ALA 127 N 1.43 0.71 -0.55 2.80 0.00 0.04 -1.90 119.26 121.80 2rkb h ALA 127 Ca 0.28 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2rkb h ALA 127 Cb -0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2rkb h ALA 127 CO -0.05 0.40 -0.00 1.96 0.00 0.00 0.00 179.25 181.55 2rkb h GLN 128 N 0.76 0.94 -0.05 0.00 4.20 -0.55 -1.01 115.11 119.40 2rkb h GLN 128 Ca 0.17 -0.28 0.02 0.00 0.06 0.00 0.00 58.65 58.62 2rkb h GLN 128 Cb 0.32 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 2rkb h GLN 128 CO -0.00 0.93 -0.05 0.93 -0.67 0.00 0.00 178.83 179.97 2rkb h GLU 129 N 0.86 -0.06 -0.55 1.46 4.39 -0.60 -1.74 114.58 118.34 2rkb h GLU 129 Ca 0.16 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.87 2rkb h GLU 129 Cb 0.51 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 2rkb h GLU 129 CO 0.03 -0.04 0.37 -0.07 -1.16 0.00 0.00 179.01 178.13 2rkb h LEU 130 N -0.06 0.63 -1.97 1.33 3.38 -1.10 0.11 115.31 117.64 2rkb h LEU 130 Ca 0.04 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2rkb h LEU 130 Cb 0.11 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2rkb h LEU 130 CO -0.09 0.46 0.00 0.00 0.09 0.00 0.00 178.44 178.90 2rkb h ALA 131 N 1.66 1.00 0.00 1.53 0.00 -0.32 -1.44 119.26 121.68 2rkb h ALA 131 Ca 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 2rkb h ALA 131 Cb -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2rkb h ALA 131 CO -0.04 0.00 -0.32 0.87 0.00 0.00 0.00 179.25 179.76 2rkb h LYS 132 N 0.00 0.00 -6.94 0.00 1.57 -0.37 -3.41 116.57 107.42 2rkb h LYS 132 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 2rkb h LYS 132 Cb 0.27 0.00 0.20 0.00 0.08 0.00 0.00 32.23 32.78 2rkb h LYS 132 CO 0.00 0.32 -0.16 0.54 -0.57 0.00 0.00 179.45 179.58 2rkb n ARG 133 N -4.02 -0.02 0.00 3.15 1.74 -0.54 -4.95 116.66 112.03 2rkb n ARG 133 Ca -0.02 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 2rkb n ARG 133 Cb 0.38 -2.09 0.00 0.00 -1.02 0.00 0.00 32.46 29.72 2rkb n ARG 133 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2rkb n ASP 134 N -2.02 0.00 -0.26 0.55 2.03 -1.26 -2.97 116.55 112.62 2rkb n ASP 134 Ca 0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.41 2rkb n ASP 134 Cb 0.51 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 2rkb n ASP 134 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2rkb n GLY 135 N 0.00 0.05 3.82 0.27 0.00 -1.26 -4.75 105.19 103.32 2rkb n GLY 135 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2rkb n GLY 135 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2rkb s TRP 136 N -1.47 3.67 -0.04 1.61 0.52 -1.16 -0.65 118.94 121.42 2rkb s TRP 136 Ca 0.00 0.88 0.02 0.00 0.02 0.00 0.00 56.10 57.02 2rkb s TRP 136 Cb 0.00 -2.27 0.01 0.00 -1.15 0.00 0.00 33.47 30.06 2rkb s TRP 136 CO 0.00 0.58 -0.08 -1.21 0.02 0.00 0.00 176.95 176.26 2rkb s GLU 137 N -0.77 1.06 -0.16 4.98 0.41 -0.63 -4.72 118.70 118.87 2rkb s GLU 137 Ca 0.22 -0.25 -0.22 0.00 -0.41 0.00 0.00 54.97 54.31 2rkb s GLU 137 Cb -0.16 -0.97 -0.03 0.00 -1.78 0.00 0.00 34.13 31.20 2rkb s GLU 137 CO 0.11 0.03 0.67 1.21 -0.49 0.00 0.00 175.26 176.79 2rkb s ASN 138 N 0.54 6.79 -0.44 -0.19 3.04 -1.26 -1.31 114.94 122.11 2rkb s ASN 138 Ca -0.09 0.96 -0.24 0.00 0.04 0.00 0.00 52.86 53.54 2rkb s ASN 138 Cb -0.12 -2.38 0.02 0.00 -1.54 0.00 0.00 41.25 37.23 2rkb s ASN 138 CO 0.01 -0.25 0.84 -0.69 -3.04 0.00 0.00 177.10 173.96 2rkb s VAL 139 N 1.69 4.60 0.17 -5.21 1.01 0.13 -4.95 120.40 117.83 2rkb s VAL 139 Ca 0.32 0.63 -0.30 0.00 0.00 0.00 0.00 61.98 62.63 2rkb s VAL 139 Cb -0.16 -4.34 -0.07 0.00 0.00 0.00 0.00 36.38 31.80 2rkb s VAL 139 CO 0.12 -0.71 0.98 -2.16 0.00 0.00 0.00 175.10 173.33 2rkb s PRO 140 N 3.42 4.73 0.41 2.72 0.04 -1.26 -4.57 135.00 140.50 2rkb s PRO 140 Ca 0.33 1.51 0.17 0.00 0.04 0.00 0.00 61.00 63.05 2rkb s PRO 140 Cb -0.12 -3.33 0.90 0.00 0.04 0.00 0.00 34.50 31.99 2rkb s PRO 140 CO 0.23 0.29 1.88 -1.00 0.04 0.00 0.00 177.00 178.44 2rkb h PRO 141 N 5.02 0.00 0.00 0.56 0.13 -1.96 -3.44 132.00 132.32 2rkb h PRO 141 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2rkb h PRO 141 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2rkb h PRO 141 CO 0.71 0.30 0.00 1.97 -0.23 0.00 0.00 178.00 180.75 2rkb n PHE 142 N -3.94 0.00 -2.77 1.56 1.16 -1.26 -4.91 117.46 107.30 2rkb n PHE 142 Ca -0.02 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.13 2rkb n PHE 142 Cb 0.37 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.23 2rkb n PHE 142 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2rkb s ASP 143 N -1.21 6.80 -0.29 5.98 -1.08 -1.26 -4.19 116.67 121.41 2rkb s ASP 143 Ca 0.00 -2.33 -0.19 0.00 -0.52 0.00 0.00 52.55 49.51 2rkb s ASP 143 Cb 0.00 -2.48 0.18 0.00 -1.46 0.00 0.00 42.92 39.16 2rkb s ASP 143 CO 0.00 -1.08 1.21 -2.28 0.52 0.00 0.00 175.17 173.54 2rkb s HIS 144 N 3.22 -0.23 0.29 -5.34 2.46 -1.26 -4.97 115.29 109.45 2rkb s HIS 144 Ca 0.44 0.49 0.03 0.00 0.47 0.00 0.00 55.06 56.49 2rkb s HIS 144 Cb -0.01 0.25 0.71 0.00 -0.13 0.00 0.00 32.58 33.40 2rkb s HIS 144 CO -0.02 -0.11 1.67 -1.35 -2.47 0.00 0.00 174.74 172.46 2rkb h PRO 145 N 4.81 0.30 -0.49 2.88 0.11 -2.00 0.11 132.00 137.72 2rkb h PRO 145 Ca -0.27 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.77 2rkb h PRO 145 Cb 1.18 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 2rkb h PRO 145 CO 0.20 0.20 0.08 -0.07 -0.21 0.00 0.00 178.00 178.20 2rkb h LEU 146 N 0.31 0.72 -0.13 2.35 3.38 -1.96 0.04 115.31 120.02 2rkb h LEU 146 Ca 0.55 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.37 2rkb h LEU 146 Cb 1.07 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 2rkb h LEU 146 CO -0.58 0.74 0.05 0.40 0.09 0.00 0.00 178.44 179.15 2rkb h ILE 147 N 0.74 1.14 -0.82 1.22 1.08 -0.99 -0.94 117.51 118.93 2rkb h ILE 147 Ca 0.16 -0.42 -0.02 0.00 -0.39 0.00 0.00 64.86 64.19 2rkb h ILE 147 Cb 0.33 1.19 -0.04 0.00 -3.07 0.00 0.00 36.82 35.23 2rkb h ILE 147 CO 0.01 0.13 0.42 -0.50 -0.69 0.00 0.00 178.15 177.51 2rkb h TRP 148 N 0.06 1.16 -0.61 1.37 6.55 -1.09 0.80 115.95 124.18 2rkb h TRP 148 Ca 0.04 -0.04 0.00 0.00 0.95 0.00 0.00 58.89 59.84 2rkb h TRP 148 Cb 0.15 -0.36 -0.03 0.00 -0.86 0.00 0.00 29.16 28.06 2rkb h TRP 148 CO -0.02 0.83 0.40 -0.22 -1.05 0.00 0.00 178.44 178.38 2rkb h LYS 149 N 1.15 0.81 0.20 0.49 3.11 -0.77 0.23 116.57 121.80 2rkb h LYS 149 Ca 0.28 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 58.06 2rkb h LYS 149 Cb 0.08 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 31.13 2rkb h LYS 149 CO -0.04 0.55 -0.10 0.78 -2.81 0.00 0.00 179.45 177.83 2rkb h GLY 150 N 0.83 -0.28 0.68 5.01 0.00 -0.43 -2.75 103.07 106.13 2rkb h GLY 150 Ca 0.22 0.10 0.08 0.00 0.00 0.00 0.00 47.33 47.74 2rkb h GLY 150 CO -0.05 -0.10 0.64 0.45 0.00 0.00 0.00 176.54 177.48 2rkb h HIS 151 N -0.34 1.17 -1.44 5.60 3.86 -0.50 -1.42 115.15 122.07 2rkb h HIS 151 Ca -0.03 0.03 0.44 0.00 -1.16 0.00 0.00 60.37 59.66 2rkb h HIS 151 Cb 0.26 -0.38 -0.10 0.00 1.06 0.00 0.00 27.41 28.25 2rkb h HIS 151 CO -0.04 0.56 0.98 0.00 0.86 0.00 0.00 177.93 180.29 2rkb h ALA 152 N 1.49 3.02 -1.03 2.45 0.00 -0.23 0.34 119.26 125.30 2rkb h ALA 152 Ca 0.45 0.04 0.29 0.00 0.00 0.00 0.00 54.91 55.69 2rkb h ALA 152 Cb 0.27 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 2rkb h ALA 152 CO -0.20 -1.58 0.73 0.66 0.00 0.00 0.00 179.25 178.87 2rkb h SER 153 N 0.08 0.06 -0.63 0.00 4.64 -1.32 0.49 113.55 116.87 2rkb h SER 153 Ca 0.80 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 62.13 2rkb h SER 153 Cb 2.74 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 64.80 2rkb h SER 153 CO -0.25 0.02 0.39 0.25 -0.87 0.00 0.00 176.83 176.36 2rkb h LEU 154 N 0.06 0.75 -0.84 5.97 6.46 -0.52 -2.00 115.31 125.18 2rkb h LEU 154 Ca 0.50 -0.05 -0.08 0.00 -0.12 0.00 0.00 57.88 58.13 2rkb h LEU 154 Cb 1.90 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 41.62 2rkb h LEU 154 CO -0.04 0.57 -0.01 0.58 -0.62 0.00 0.00 178.44 178.93 2rkb h VAL 155 N 0.86 1.25 -0.32 1.05 2.07 -1.07 -2.14 116.25 117.95 2rkb h VAL 155 Ca 0.23 -1.06 0.05 0.00 0.82 0.00 0.00 66.70 66.74 2rkb h VAL 155 Cb -0.05 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 2rkb h VAL 155 CO -0.04 0.37 0.05 1.56 0.02 0.00 0.00 177.57 179.53 2rkb h GLN 156 N 0.80 0.15 -0.36 1.57 1.08 -1.26 0.59 115.11 117.68 2rkb h GLN 156 Ca 0.15 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.31 2rkb h GLN 156 Cb 0.49 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.86 2rkb h GLN 156 CO 0.02 0.10 0.10 0.93 -0.95 0.00 0.00 178.83 179.04 2rkb h GLU 157 N 0.16 0.52 0.01 1.46 5.08 -1.07 0.51 114.58 121.25 2rkb h GLU 157 Ca 0.15 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2rkb h GLU 157 Cb 0.17 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2rkb h GLU 157 CO -0.21 0.47 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.20 2rkb h LEU 158 N 0.52 -0.01 -1.76 1.33 4.07 -0.58 -1.65 115.31 117.23 2rkb h LEU 158 Ca 0.12 -0.22 0.03 0.00 0.08 0.00 0.00 57.88 57.89 2rkb h LEU 158 Cb 0.17 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.90 2rkb h LEU 158 CO -0.01 0.22 0.21 0.50 -1.08 0.00 0.00 178.44 178.29 2rkb h LYS 159 N -0.23 0.31 -0.04 1.13 3.11 -0.32 0.36 116.57 120.88 2rkb h LYS 159 Ca -0.00 -0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.81 2rkb h LYS 159 Cb 0.23 -0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 31.39 2rkb h LYS 159 CO 0.00 0.20 -0.03 0.00 -2.81 0.00 0.00 179.45 176.81 2rkb h ALA 160 N 1.82 0.06 0.21 5.00 0.00 -0.56 -3.31 119.26 122.48 2rkb h ALA 160 Ca 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2rkb h ALA 160 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2rkb h ALA 160 CO -0.03 -0.18 -0.10 0.28 0.00 0.00 0.00 179.25 179.22 2rkb h VAL 161 N -0.34 0.00 -1.73 0.00 2.07 -0.76 -3.38 116.25 112.12 2rkb h VAL 161 Ca 0.01 -0.60 -0.62 0.00 0.82 0.00 0.00 66.70 66.31 2rkb h VAL 161 Cb 0.51 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.15 2rkb h VAL 161 CO 0.01 0.00 1.19 -0.76 0.02 0.00 0.00 177.57 178.03 2rkb s LEU 162 N -7.97 3.97 0.41 2.57 1.43 0.12 -4.82 118.68 114.39 2rkb s LEU 162 Ca -0.04 -1.47 0.23 0.00 -1.03 0.00 0.00 54.13 51.82 2rkb s LEU 162 Cb 0.00 -2.51 1.25 0.00 0.03 0.00 0.00 46.19 44.97 2rkb s LEU 162 CO 0.13 -1.42 1.69 0.08 0.23 0.00 0.00 176.35 177.06 2rkb h ARG 163 N 9.54 0.23 -6.19 1.70 -0.00 -1.75 -3.39 114.38 114.52 2rkb h ARG 163 Ca 0.10 -0.01 -0.65 0.00 -0.00 0.00 0.00 59.98 59.42 2rkb h ARG 163 Cb 1.02 -0.05 -0.11 0.00 -0.00 0.00 0.00 29.97 30.83 2rkb h ARG 163 CO 1.30 0.15 -0.62 0.95 -0.00 0.00 0.00 179.97 181.76 2rkb s THR 164 N -5.42 4.36 0.45 0.08 -4.23 -1.26 -4.94 115.64 104.67 2rkb s THR 164 Ca -0.08 -0.74 -0.23 0.00 -1.18 0.00 0.00 61.69 59.46 2rkb s THR 164 Cb 0.28 -3.05 -0.10 0.00 1.34 0.00 0.00 72.50 70.97 2rkb s THR 164 CO 0.81 0.20 0.97 -2.65 -0.54 0.00 0.00 174.62 173.41 2rkb n PRO 165 N 0.76 1.24 -2.33 3.99 -0.02 -1.26 -5.00 135.00 132.37 2rkb n PRO 165 Ca -0.11 0.45 -0.27 0.00 -2.02 0.00 0.00 63.50 61.55 2rkb n PRO 165 Cb 0.52 -2.03 0.03 0.00 -0.02 0.00 0.00 33.50 32.00 2rkb n PRO 165 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2rkb s PRO 166 N -2.10 3.05 0.31 0.52 0.04 -1.26 -4.91 135.00 130.65 2rkb s PRO 166 Ca 0.65 0.13 0.07 0.00 0.04 0.00 0.00 61.00 61.89 2rkb s PRO 166 Cb -0.53 -2.24 0.49 0.00 0.04 0.00 0.00 34.50 32.26 2rkb s PRO 166 CO 0.56 -0.66 1.73 0.78 0.04 0.00 0.00 177.00 179.44 2rkb h GLY 167 N -0.19 0.27 -2.89 0.56 0.00 -0.11 -3.46 103.07 97.26 2rkb h GLY 167 Ca -0.45 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 46.66 2rkb h GLY 167 CO 0.61 0.22 0.28 0.00 0.00 0.00 0.00 176.54 177.66 2rkb s ALA 168 N -4.23 -1.59 -0.05 3.60 0.00 -1.18 -4.29 121.76 114.01 2rkb s ALA 168 Ca -0.05 0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.40 2rkb s ALA 168 Cb 0.14 0.78 0.01 0.00 0.00 0.00 0.00 23.12 24.04 2rkb s ALA 168 CO 0.77 -0.81 -0.13 -1.17 0.00 0.00 0.00 175.76 174.41 2rkb s LEU 169 N -2.73 1.75 -0.15 0.00 2.96 -0.31 -0.82 118.68 119.37 2rkb s LEU 169 Ca 0.04 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 2rkb s LEU 169 Cb -0.02 -0.84 0.01 0.00 0.50 0.00 0.00 46.19 45.84 2rkb s LEU 169 CO -0.08 0.07 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.15 2rkb s VAL 170 N 0.42 2.36 0.07 1.68 1.01 0.16 -0.28 120.40 125.83 2rkb s VAL 170 Ca -0.10 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 60.95 2rkb s VAL 170 Cb -0.14 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 2rkb s VAL 170 CO 0.03 0.53 0.09 -1.48 0.00 0.00 0.00 175.10 174.27 2rkb s LEU 171 N 0.88 1.90 0.50 3.92 -0.00 -0.92 -0.47 118.68 124.50 2rkb s LEU 171 Ca -0.05 -0.79 -0.02 0.00 -0.00 0.00 0.00 54.13 53.28 2rkb s LEU 171 Cb -0.15 0.65 0.00 0.00 -0.00 0.00 0.00 46.19 46.70 2rkb s LEU 171 CO -0.02 -0.66 0.75 0.00 -0.00 0.00 0.00 176.35 176.42 2rkb s ALA 172 N -3.79 3.62 -0.12 1.48 0.00 -1.26 -0.16 121.76 121.53 2rkb s ALA 172 Ca 0.05 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 51.04 2rkb s ALA 172 Cb 0.06 -2.28 0.03 0.00 0.00 0.00 0.00 23.12 20.93 2rkb s ALA 172 CO -0.10 -0.54 -0.05 0.08 0.00 0.00 0.00 175.76 175.15 2rkb s VAL 173 N -2.71 0.89 0.00 0.00 1.01 0.08 -4.73 120.40 114.94 2rkb s VAL 173 Ca 0.51 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.19 2rkb s VAL 173 Cb -0.10 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.28 2rkb s VAL 173 CO 0.40 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.38 2rkb n GLY 174 N 4.97 -0.12 0.17 4.51 0.00 -1.26 -4.78 105.19 108.68 2rkb n GLY 174 Ca -0.11 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.97 2rkb n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rkb n GLY 175 N 2.54 -0.10 0.00 -0.02 0.00 -1.26 -4.12 105.19 102.22 2rkb n GLY 175 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2rkb n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rkb n GLY 176 N 1.10 0.80 0.37 -0.02 0.00 -1.26 0.82 105.19 106.99 2rkb n GLY 176 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 2rkb n GLY 176 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2rkb h GLY 177 N 0.00 -0.86 1.11 -0.02 0.00 -1.91 -0.46 103.07 100.93 2rkb h GLY 177 Ca 0.00 0.37 0.04 0.00 0.00 0.00 0.00 47.33 47.74 2rkb h GLY 177 CO 0.00 -0.31 0.51 -2.00 0.00 0.00 0.00 176.54 174.74 2rkb h LEU 178 N -0.79 0.82 0.87 3.11 5.85 -1.90 -0.71 115.31 122.55 2rkb h LEU 178 Ca -0.05 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 2rkb h LEU 178 Cb 0.66 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 41.51 2rkb h LEU 178 CO 0.03 0.56 -0.42 0.25 -0.34 0.00 0.00 178.44 178.53 2rkb h LEU 179 N 0.95 -0.99 -1.49 2.25 6.46 -1.76 -0.41 115.31 120.32 2rkb h LEU 179 Ca 0.31 0.03 0.20 0.00 -0.12 0.00 0.00 57.88 58.31 2rkb h LEU 179 Cb 0.05 0.26 -0.07 0.00 -0.73 0.00 0.00 40.66 40.17 2rkb h LEU 179 CO -0.09 -0.65 0.60 0.00 -0.62 0.00 0.00 178.44 177.68 2rkb h ALA 180 N -1.36 2.19 0.08 1.25 0.00 -0.92 0.78 119.26 121.26 2rkb h ALA 180 Ca -0.12 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2rkb h ALA 180 Cb 0.89 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2rkb h ALA 180 CO 0.20 -0.48 -0.04 0.78 0.00 0.00 0.00 179.25 179.71 2rkb h GLY 181 N 0.42 -0.11 1.52 0.00 0.00 -0.80 0.13 103.07 104.23 2rkb h GLY 181 Ca 0.48 0.04 -0.11 0.00 0.00 0.00 0.00 47.33 47.73 2rkb h GLY 181 CO -0.19 -0.04 -0.31 -0.39 0.00 0.00 0.00 176.54 175.61 2rkb h VAL 182 N -0.40 1.28 -0.57 4.60 -1.51 -0.03 0.26 116.25 119.88 2rkb h VAL 182 Ca -0.01 -1.41 -0.00 0.00 -1.23 0.00 0.00 66.70 64.05 2rkb h VAL 182 Cb 0.35 1.42 -0.03 0.00 -2.13 0.00 0.00 31.29 30.90 2rkb h VAL 182 CO 0.02 0.45 0.35 0.58 -1.23 0.00 0.00 177.57 177.74 2rkb h VAL 183 N 0.47 1.17 0.32 7.19 2.07 -0.85 0.89 116.25 127.51 2rkb h VAL 183 Ca 0.06 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 2rkb h VAL 183 Cb 0.78 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2rkb h VAL 183 CO 0.06 0.17 -0.22 0.00 0.02 0.00 0.00 177.57 177.61 2rkb h ALA 184 N 1.18 -0.52 -0.39 1.67 0.00 -0.38 -0.81 119.26 120.01 2rkb h ALA 184 Ca 0.21 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.08 2rkb h ALA 184 Cb -0.03 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2rkb h ALA 184 CO -0.04 -0.81 0.06 0.78 0.00 0.00 0.00 179.25 179.24 2rkb h GLY 185 N -0.53 0.44 0.51 0.00 0.00 0.22 -0.21 103.07 103.49 2rkb h GLY 185 Ca -0.03 -0.01 0.06 0.00 0.00 0.00 0.00 47.33 47.35 2rkb h GLY 185 CO 0.02 -0.05 0.04 1.41 0.00 0.00 0.00 176.54 177.96 2rkb h LEU 186 N 0.18 -0.07 -0.67 3.11 3.38 0.11 0.21 115.31 121.56 2rkb h LEU 186 Ca 0.19 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.29 2rkb h LEU 186 Cb 0.23 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 2rkb h LEU 186 CO -0.26 0.00 0.37 -0.07 0.09 0.00 0.00 178.44 178.57 2rkb h LEU 187 N 0.14 0.55 -0.30 1.67 3.38 -0.42 0.20 115.31 120.53 2rkb h LEU 187 Ca 0.17 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.19 2rkb h LEU 187 Cb 0.22 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2rkb h LEU 187 CO -0.25 0.35 0.15 -0.33 0.09 0.00 0.00 178.44 178.44 2rkb h GLU 188 N 0.68 0.30 -0.20 1.13 5.08 0.55 -2.75 114.58 119.38 2rkb h GLU 188 Ca 0.30 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2rkb h GLU 188 Cb 0.19 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2rkb h GLU 188 CO -0.18 0.20 0.00 1.33 -1.00 0.00 0.00 179.01 179.35 2rkb n VAL 189 N -4.96 0.25 -2.27 3.13 0.24 -0.10 -4.93 118.33 109.69 2rkb n VAL 189 Ca -0.01 -0.36 -0.07 0.00 -2.04 0.00 0.00 64.34 61.86 2rkb n VAL 189 Cb 0.08 0.34 0.00 0.00 -1.47 0.00 0.00 33.84 32.79 2rkb n VAL 189 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2rkb n GLY 190 N 1.11 0.17 1.27 7.63 0.00 0.01 -4.94 105.19 110.44 2rkb n GLY 190 Ca 0.15 -0.57 -0.07 0.00 0.00 0.00 0.00 46.02 45.54 2rkb n GLY 190 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2rkb n TRP 191 N -3.87 1.26 0.22 1.61 8.01 0.50 -4.76 117.44 120.41 2rkb n TRP 191 Ca -0.06 -1.69 0.08 0.00 -1.31 0.00 0.00 57.50 54.51 2rkb n TRP 191 Cb 0.55 -0.52 0.42 0.00 -2.01 0.00 0.00 31.31 29.75 2rkb n TRP 191 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.69 178.64 2rkb h GLN 192 N 1.08 0.00 -0.02 -0.99 7.50 -1.89 -0.97 115.11 119.82 2rkb h GLN 192 Ca 0.25 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.40 2rkb h GLN 192 Cb 1.65 0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.18 2rkb h GLN 192 CO 0.45 0.00 -0.23 0.72 -1.50 0.00 0.00 178.83 178.28 2rkb n HIS 193 N -2.29 0.00 -2.25 2.96 8.25 -1.26 -4.60 115.22 116.03 2rkb n HIS 193 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 2rkb n HIS 193 Cb 0.43 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.50 2rkb n HIS 193 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2rkb s VAL 194 N -2.26 3.91 0.49 1.59 1.01 -0.37 -4.91 120.40 119.86 2rkb s VAL 194 Ca 0.25 1.18 -0.21 0.00 0.00 0.00 0.00 61.98 63.20 2rkb s VAL 194 Cb 0.19 -3.76 -0.07 0.00 0.00 0.00 0.00 36.38 32.74 2rkb s VAL 194 CO 0.44 -0.06 1.15 -2.16 0.00 0.00 0.00 175.10 174.47 2rkb s PRO 195 N 3.14 3.59 -0.12 2.72 0.04 -1.26 -4.62 135.00 138.50 2rkb s PRO 195 Ca 0.63 1.69 0.02 0.00 0.04 0.00 0.00 61.00 63.38 2rkb s PRO 195 Cb -0.28 -2.23 -0.01 0.00 0.04 0.00 0.00 34.50 32.02 2rkb s PRO 195 CO 0.23 -0.67 -0.18 0.42 0.04 0.00 0.00 177.00 176.83 2rkb s ILE 196 N -1.65 2.55 -0.46 0.56 1.01 0.60 -1.16 121.20 122.65 2rkb s ILE 196 Ca 0.67 -0.84 -0.15 0.00 0.00 0.00 0.00 60.65 60.33 2rkb s ILE 196 Cb -0.26 -2.03 0.07 0.00 0.01 0.00 0.00 42.46 40.25 2rkb s ILE 196 CO 0.31 0.54 0.38 -0.63 0.00 0.00 0.00 174.94 175.54 2rkb s ILE 197 N 0.36 5.17 -0.45 2.92 1.09 0.62 0.59 121.20 131.49 2rkb s ILE 197 Ca -0.15 -1.06 -0.22 0.00 -1.10 0.00 0.00 60.65 58.12 2rkb s ILE 197 Cb -0.17 -4.08 0.03 0.00 -1.06 0.00 0.00 42.46 37.18 2rkb s ILE 197 CO 0.07 -0.55 0.75 0.00 -0.10 0.00 0.00 174.94 175.11 2rkb s ALA 198 N 1.63 3.30 0.11 9.38 0.00 0.96 -2.16 121.76 134.98 2rkb s ALA 198 Ca 0.04 -1.08 -0.14 0.00 0.00 0.00 0.00 51.96 50.78 2rkb s ALA 198 Cb -0.24 -3.44 -0.07 0.00 0.00 0.00 0.00 23.12 19.38 2rkb s ALA 198 CO 0.07 -1.91 0.51 -1.64 0.00 0.00 0.00 175.76 172.79 2rkb s MET 199 N 3.18 3.96 0.08 0.00 -1.94 0.78 -1.03 119.30 124.32 2rkb s MET 199 Ca 0.28 0.46 -0.13 0.00 -1.71 0.00 0.00 55.69 54.58 2rkb s MET 199 Cb -0.13 -3.01 0.02 0.00 2.01 0.00 0.00 34.83 33.72 2rkb s MET 199 CO 0.21 0.53 0.30 -1.21 -0.01 0.00 0.00 175.02 174.85 2rkb s GLU 200 N -1.76 0.88 -0.06 2.03 2.02 0.10 -0.74 118.70 121.18 2rkb s GLU 200 Ca 0.34 -0.67 -0.02 0.00 0.02 0.00 0.00 54.97 54.65 2rkb s GLU 200 Cb -0.15 0.38 -0.04 0.00 0.10 0.00 0.00 34.13 34.42 2rkb s GLU 200 CO 0.18 -0.30 0.04 0.95 0.02 0.00 0.00 175.26 176.15 2rkb s THR 201 N -3.20 4.52 0.07 3.63 -4.23 -1.26 -0.10 115.64 115.06 2rkb s THR 201 Ca -0.00 -0.29 -0.30 0.00 -1.18 0.00 0.00 61.69 59.91 2rkb s THR 201 Cb 0.01 -2.96 -0.09 0.00 1.34 0.00 0.00 72.50 70.80 2rkb s THR 201 CO -0.07 0.51 1.90 -2.28 -0.54 0.00 0.00 174.62 174.14 2rkb s HIS 202 N -1.00 1.64 0.00 3.99 2.46 0.41 -0.67 115.29 122.11 2rkb s HIS 202 Ca 0.17 -0.27 0.00 0.00 0.47 0.00 0.00 55.06 55.43 2rkb s HIS 202 Cb -0.12 -4.21 0.00 0.00 -0.13 0.00 0.00 32.58 28.13 2rkb s HIS 202 CO 0.06 -5.24 0.00 0.41 -2.47 0.00 0.00 174.74 167.50 2rkb n GLY 203 N 4.41 1.07 2.72 1.59 0.00 -1.26 -4.19 105.19 109.53 2rkb n GLY 203 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 2rkb n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rkb n ALA 204 N -0.65 2.53 -1.82 4.61 0.00 0.15 -1.38 120.51 123.95 2rkb n ALA 204 Ca 0.00 -1.91 -0.33 0.00 0.00 0.00 0.00 53.44 51.19 2rkb n ALA 204 Cb 0.00 -0.90 0.04 0.00 0.00 0.00 0.00 19.45 18.59 2rkb n ALA 204 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2rkb n HIS 205 N -0.82 3.10 -0.35 0.00 -0.00 -1.09 -4.19 115.22 111.87 2rkb n HIS 205 Ca -0.03 -2.68 0.04 0.00 -0.00 0.00 0.00 57.72 55.05 2rkb n HIS 205 Cb 0.84 -0.95 0.19 0.00 -0.00 0.00 0.00 29.99 30.08 2rkb n HIS 205 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2rkb h PHE 207 N 1.05 -0.40 -0.23 0.00 3.57 -1.87 -0.77 116.94 118.30 2rkb h PHE 207 Ca 0.44 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.96 2rkb h PHE 207 Cb 0.30 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 2rkb h PHE 207 CO -0.01 -0.22 0.07 -0.97 -2.23 0.00 0.00 178.31 174.94 2rkb h ASN 208 N -0.46 0.06 -0.73 0.41 -1.24 -1.87 -0.16 115.58 111.59 2rkb h ASN 208 Ca -0.04 0.03 0.14 0.00 0.71 0.00 0.00 56.30 57.14 2rkb h ASN 208 Cb 0.35 0.02 -0.10 0.00 0.73 0.00 0.00 38.32 39.33 2rkb h ASN 208 CO 0.07 0.07 0.26 0.00 -1.29 0.00 0.00 177.43 176.54 2rkb h ALA 209 N 1.15 1.01 -0.09 1.57 0.00 -0.87 0.20 119.26 122.23 2rkb h ALA 209 Ca 0.10 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2rkb h ALA 209 Cb 0.08 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2rkb h ALA 209 CO -0.11 -0.25 0.02 0.00 0.00 0.00 0.00 179.25 178.91 2rkb h ALA 210 N 1.55 0.11 -0.15 0.00 0.00 -0.41 0.41 119.26 120.77 2rkb h ALA 210 Ca 0.41 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.23 2rkb h ALA 210 Cb 0.63 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 2rkb h ALA 210 CO -0.43 -0.26 -0.24 0.82 0.00 0.00 0.00 179.25 179.15 2rkb h ILE 211 N -0.07 0.42 -0.11 0.00 1.08 0.13 0.41 117.51 119.38 2rkb h ILE 211 Ca 0.03 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.53 2rkb h ILE 211 Cb 0.25 0.42 -0.04 0.00 -3.07 0.00 0.00 36.82 34.38 2rkb h ILE 211 CO 0.00 0.00 -0.14 0.74 -0.69 0.00 0.00 178.15 178.06 2rkb h THR 212 N -0.29 0.63 0.00 -0.27 2.02 -0.53 -1.37 112.91 113.11 2rkb h THR 212 Ca 0.11 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.29 2rkb h THR 212 Cb 0.45 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 2rkb h THR 212 CO -0.32 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.57 2rkb n ALA 213 N -2.52 1.80 -1.68 6.16 0.00 0.12 -4.87 120.51 119.52 2rkb n ALA 213 Ca -0.03 -0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.25 2rkb n ALA 213 Cb 0.20 -1.32 -0.04 0.00 0.00 0.00 0.00 19.45 18.29 2rkb n ALA 213 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rkb n GLY 214 N 0.30 0.87 3.57 0.00 0.00 0.14 -4.94 105.19 105.13 2rkb n GLY 214 Ca 0.04 -0.38 -0.05 0.00 0.00 0.00 0.00 46.02 45.62 2rkb n GLY 214 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rkb s LYS 215 N -3.64 0.55 0.31 1.61 -2.85 -0.81 -5.02 119.74 109.88 2rkb s LYS 215 Ca 0.00 -0.22 -0.29 0.00 -1.00 0.00 0.00 55.97 54.46 2rkb s LYS 215 Cb 0.00 0.24 -0.12 0.00 -2.06 0.00 0.00 37.83 35.89 2rkb s LYS 215 CO 0.00 -0.24 1.37 1.28 0.10 0.00 0.00 175.35 177.86 2rkb n LEU 216 N -0.20 3.59 -4.22 2.77 4.77 -1.26 -4.33 117.00 118.13 2rkb n LEU 216 Ca -0.04 1.18 -0.16 0.00 -0.03 0.00 0.00 56.01 56.97 2rkb n LEU 216 Cb 0.60 -1.49 -0.11 0.00 -2.33 0.00 0.00 43.42 40.09 2rkb n LEU 216 CO 0.10 -0.38 -0.43 -0.69 -1.33 0.00 0.00 177.39 174.66 2rkb s VAL 217 N -0.69 1.15 -0.20 4.08 1.01 -1.26 -4.98 120.40 119.50 2rkb s VAL 217 Ca 0.60 -1.74 0.01 0.00 0.00 0.00 0.00 61.98 60.84 2rkb s VAL 217 Cb -0.58 -1.51 0.05 0.00 0.00 0.00 0.00 36.38 34.34 2rkb s VAL 217 CO 0.57 -0.53 -0.08 -0.89 0.00 0.00 0.00 175.10 174.18 2rkb s THR 218 N -2.45 1.51 0.22 3.92 2.01 -1.26 -4.29 115.64 115.31 2rkb s THR 218 Ca 0.09 -1.01 -0.30 0.00 0.31 0.00 0.00 61.69 60.77 2rkb s THR 218 Cb -0.03 -1.67 -0.10 0.00 0.01 0.00 0.00 72.50 70.72 2rkb s THR 218 CO 0.01 0.08 1.45 -0.76 -0.69 0.00 0.00 174.62 174.71 2rkb s LEU 219 N 1.44 4.38 0.28 4.42 1.02 0.57 -4.89 118.68 125.90 2rkb s LEU 219 Ca -0.02 2.62 0.01 0.00 0.02 0.00 0.00 54.13 56.76 2rkb s LEU 219 Cb -0.17 -3.61 0.53 0.00 0.02 0.00 0.00 46.19 42.96 2rkb s LEU 219 CO -0.07 -0.71 1.85 1.55 0.02 0.00 0.00 176.35 178.98 2rkb h PRO 220 N 5.50 1.00 -1.97 1.29 0.13 -1.99 -3.45 132.00 132.50 2rkb h PRO 220 Ca -0.45 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 2rkb h PRO 220 Cb 1.21 -0.22 -0.19 0.00 0.13 0.00 0.00 31.00 31.93 2rkb h PRO 220 CO 0.81 0.66 0.31 0.16 -0.23 0.00 0.00 178.00 179.71 2rkb s ASP 221 N -5.74 -0.55 -0.28 1.44 1.47 -1.26 -5.13 116.67 106.62 2rkb s ASP 221 Ca -0.12 0.52 -0.22 0.00 1.18 0.00 0.00 52.55 53.91 2rkb s ASP 221 Cb 0.22 0.47 -0.01 0.00 -0.34 0.00 0.00 42.92 43.26 2rkb s ASP 221 CO 0.81 -0.56 0.73 -0.63 0.68 0.00 0.00 175.17 176.19 2rkb s ILE 222 N -1.49 4.88 -0.39 2.11 -1.09 -1.26 -4.90 121.20 119.06 2rkb s ILE 222 Ca -0.06 1.18 0.16 0.00 -2.23 0.00 0.00 60.65 59.70 2rkb s ILE 222 Cb -0.00 -4.06 -0.22 0.00 -1.58 0.00 0.00 42.46 36.60 2rkb s ILE 222 CO 0.05 -0.13 0.52 0.35 -1.23 0.00 0.00 174.94 174.50 2rkb n THR 223 N 5.37 0.00 -2.09 2.92 -2.24 -0.48 -5.00 114.28 112.76 2rkb n THR 223 Ca 0.02 -0.25 -0.36 0.00 -2.27 0.00 0.00 64.05 61.19 2rkb n THR 223 Cb 0.48 0.56 0.02 0.00 -2.10 0.00 0.00 70.33 69.29 2rkb n THR 223 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2rkb s SER 224 N -3.22 5.45 0.44 3.42 0.15 -1.07 -4.92 113.70 113.95 2rkb s SER 224 Ca -0.00 2.36 0.24 0.00 0.70 0.00 0.00 55.95 59.25 2rkb s SER 224 Cb 0.11 -2.60 0.82 0.00 -1.71 0.00 0.00 66.02 62.65 2rkb s SER 224 CO 0.68 -1.41 1.78 0.58 1.20 0.00 0.00 173.24 176.06 2rkb h VAL 225 N 1.14 0.46 -0.13 4.45 2.07 -1.93 -3.37 116.25 118.94 2rkb h VAL 225 Ca -0.50 -1.16 -0.70 0.00 0.82 0.00 0.00 66.70 65.16 2rkb h VAL 225 Cb 1.28 1.83 -0.04 0.00 -1.52 0.00 0.00 31.29 32.85 2rkb h VAL 225 CO 0.56 0.20 2.90 0.00 0.02 0.00 0.00 177.57 181.26 2rkb n ALA 226 N -2.19 5.01 -0.33 1.67 0.00 -1.26 -4.80 120.51 118.61 2rkb n ALA 226 Ca 0.01 -3.81 0.22 0.00 0.00 0.00 0.00 53.44 49.85 2rkb n ALA 226 Cb 0.46 -3.56 0.44 0.00 0.00 0.00 0.00 19.45 16.80 2rkb n ALA 226 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2rkb h LYS 227 N 6.45 0.32 0.00 0.00 1.79 -1.99 0.69 116.57 123.82 2rkb h LYS 227 Ca 0.53 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.99 2rkb h LYS 227 Cb 0.68 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 2rkb h LYS 227 CO 1.82 0.21 0.00 0.43 -1.08 0.00 0.00 179.45 180.83 2rkb n SER 228 N -5.07 0.06 -0.71 0.86 7.64 -1.26 -0.30 113.62 114.84 2rkb n SER 228 Ca 0.30 0.53 0.07 0.00 1.01 0.00 0.00 58.87 60.78 2rkb n SER 228 Cb 0.93 -0.54 0.15 0.00 -1.01 0.00 0.00 64.21 63.74 2rkb n SER 228 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2rkb n LEU 229 N -1.58 2.82 -0.23 -3.43 4.77 0.23 -4.58 117.00 115.00 2rkb n LEU 229 Ca 0.00 -1.67 0.00 0.00 -0.03 0.00 0.00 56.01 54.31 2rkb n LEU 229 Cb 0.02 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2rkb n LEU 229 CO 0.02 0.66 0.13 0.61 -1.33 0.00 0.00 177.39 177.48 2rkb n GLY 230 N 0.77 0.05 3.67 -0.72 0.00 0.59 -4.60 105.19 104.94 2rkb n GLY 230 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2rkb n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rkb s ALA 231 N -1.55 3.66 0.29 4.61 0.00 -1.26 -4.84 121.76 122.67 2rkb s ALA 231 Ca 0.00 1.31 0.26 0.00 0.00 0.00 0.00 51.96 53.53 2rkb s ALA 231 Cb 0.00 -3.79 1.21 0.00 0.00 0.00 0.00 23.12 20.54 2rkb s ALA 231 CO 0.00 -1.38 1.96 0.87 0.00 0.00 0.00 175.76 177.21 2rkb h LYS 232 N 9.53 0.00 -3.64 0.00 1.57 -1.89 -3.40 116.57 118.74 2rkb h LYS 232 Ca -0.46 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 57.96 2rkb h LYS 232 Cb 1.22 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.18 2rkb h LYS 232 CO 0.94 0.17 -0.75 0.99 -0.57 0.00 0.00 179.45 180.24 2rkb s THR 233 N -3.93 0.15 0.54 -0.16 2.01 -1.26 -0.32 115.64 112.66 2rkb s THR 233 Ca -0.01 0.15 -0.19 0.00 0.31 0.00 0.00 61.69 61.95 2rkb s THR 233 Cb 0.12 -0.28 -0.06 0.00 0.01 0.00 0.00 72.50 72.29 2rkb s THR 233 CO 0.61 0.16 1.09 0.54 -0.69 0.00 0.00 174.62 176.33 2rkb s VAL 234 N 1.33 3.42 0.42 3.82 0.11 -1.26 -4.86 120.40 123.39 2rkb s VAL 234 Ca -0.06 0.85 -0.26 0.00 -2.93 0.00 0.00 61.98 59.59 2rkb s VAL 234 Cb -0.13 -3.33 -0.08 0.00 -1.53 0.00 0.00 36.38 31.30 2rkb s VAL 234 CO -0.02 -0.23 1.34 0.00 -3.33 0.00 0.00 175.10 172.86 2rkb s ALA 235 N -1.94 3.23 0.24 1.54 0.00 0.24 -4.91 121.76 120.17 2rkb s ALA 235 Ca 0.70 1.30 -0.05 0.00 0.00 0.00 0.00 51.96 53.91 2rkb s ALA 235 Cb -0.21 -3.52 0.38 0.00 0.00 0.00 0.00 23.12 19.78 2rkb s ALA 235 CO 0.27 -0.95 1.80 0.00 0.00 0.00 0.00 175.76 176.88 2rkb h ALA 236 N 2.52 1.14 -0.53 0.00 0.00 -1.93 -0.82 119.26 119.63 2rkb h ALA 236 Ca -0.50 0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.53 2rkb h ALA 236 Cb 1.25 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2rkb h ALA 236 CO 0.62 0.07 0.36 -0.09 0.00 0.00 0.00 179.25 180.21 2rkb h ARG 237 N 0.75 0.35 -0.08 0.00 9.65 -1.95 -1.46 114.38 121.65 2rkb h ARG 237 Ca 0.39 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 59.25 2rkb h ARG 237 Cb 0.36 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 28.86 2rkb h ARG 237 CO -0.25 0.23 0.04 0.00 2.80 0.00 0.00 179.97 182.79 2rkb h ALA 238 N 1.73 0.10 -0.50 2.80 0.00 -1.43 0.16 119.26 122.10 2rkb h ALA 238 Ca 0.24 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2rkb h ALA 238 Cb 0.48 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2rkb h ALA 238 CO -0.06 -0.37 0.16 1.25 0.00 0.00 0.00 179.25 180.23 2rkb h LEU 239 N 0.03 0.68 -0.93 0.00 5.85 -1.27 -2.13 115.31 117.54 2rkb h LEU 239 Ca 0.03 -0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.55 2rkb h LEU 239 Cb 0.07 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2rkb h LEU 239 CO -0.00 0.65 -0.27 -0.08 -0.34 0.00 0.00 178.44 178.40 2rkb h GLU 240 N 0.73 0.46 0.00 1.25 4.81 -0.72 -2.62 114.58 118.50 2rkb h GLU 240 Ca 0.17 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2rkb h GLU 240 Cb 0.22 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2rkb h GLU 240 CO -0.01 0.69 0.02 0.00 -0.73 0.00 0.00 179.01 178.98 2rkb h MET 242 N 0.00 0.00 0.00 0.00 2.86 -1.52 -0.69 114.93 115.58 2rkb h MET 242 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2rkb h MET 242 Cb 0.03 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2rkb h MET 242 CO 0.00 0.01 -1.29 1.04 1.06 0.00 0.00 176.91 177.73 2rkb n GLN 243 N -3.23 0.62 -0.06 1.72 1.13 0.24 -4.38 117.38 113.42 2rkb n GLN 243 Ca -0.02 0.07 -0.05 0.00 -1.94 0.00 0.00 57.00 55.06 2rkb n GLN 243 Cb 0.12 -1.76 -0.15 0.00 0.11 0.00 0.00 30.24 28.56 2rkb n GLN 243 CO 0.00 0.00 0.00 1.55 -1.44 0.00 0.00 177.06 177.17 2rkb n VAL 244 N -2.63 1.13 -4.14 5.09 3.14 -0.56 -5.00 118.33 115.37 2rkb n VAL 244 Ca -0.03 -0.77 -0.12 0.00 -2.96 0.00 0.00 64.34 60.46 2rkb n VAL 244 Cb 0.61 -0.46 -0.11 0.00 -1.06 0.00 0.00 33.84 32.83 2rkb n VAL 244 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2rkb s LYS 246 N -2.87 3.74 -0.12 0.00 2.47 -1.26 -4.52 119.74 117.17 2rkb s LYS 246 Ca 0.04 0.64 0.02 0.00 -1.56 0.00 0.00 55.97 55.11 2rkb s LYS 246 Cb -0.02 -3.90 -0.00 0.00 -1.46 0.00 0.00 37.83 32.45 2rkb s LYS 246 CO -0.02 -1.36 -0.20 0.42 0.16 0.00 0.00 175.35 174.36 2rkb s ILE 247 N 4.47 2.36 -0.40 5.43 1.01 -1.26 -0.29 121.20 132.52 2rkb s ILE 247 Ca 0.49 -0.90 -0.12 0.00 0.00 0.00 0.00 60.65 60.12 2rkb s ILE 247 Cb -0.08 -1.94 0.04 0.00 0.01 0.00 0.00 42.46 40.49 2rkb s ILE 247 CO 0.30 0.54 0.24 -1.00 0.00 0.00 0.00 174.94 175.03 2rkb s HIS 248 N 0.51 3.26 -0.22 3.97 3.76 0.20 -4.96 115.29 121.80 2rkb s HIS 248 Ca -0.13 -1.01 -0.24 0.00 -0.15 0.00 0.00 55.06 53.54 2rkb s HIS 248 Cb -0.17 -2.60 -0.01 0.00 1.11 0.00 0.00 32.58 30.91 2rkb s HIS 248 CO 0.05 -0.69 0.79 0.45 -0.85 0.00 0.00 174.74 174.49 2rkb s SER 249 N 1.74 6.82 -0.03 1.40 0.15 -1.26 -0.03 113.70 122.49 2rkb s SER 249 Ca 0.03 1.01 0.04 0.00 0.70 0.00 0.00 55.95 57.73 2rkb s SER 249 Cb -0.20 -2.42 -0.01 0.00 -1.71 0.00 0.00 66.02 61.68 2rkb s SER 249 CO 0.06 -0.44 -0.16 -1.61 1.20 0.00 0.00 173.24 172.29 2rkb s GLU 250 N 2.53 1.52 -0.08 5.44 0.41 -0.20 -4.96 118.70 123.35 2rkb s GLU 250 Ca 0.34 -0.56 0.04 0.00 -0.41 0.00 0.00 54.97 54.38 2rkb s GLU 250 Cb -0.16 -1.37 -0.01 0.00 -1.78 0.00 0.00 34.13 30.81 2rkb s GLU 250 CO 0.09 0.26 -0.20 0.08 -0.49 0.00 0.00 175.26 175.00 2rkb s VAL 251 N -0.07 2.51 0.19 2.63 1.01 -1.26 -0.72 120.40 124.70 2rkb s VAL 251 Ca -0.01 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.16 2rkb s VAL 251 Cb -0.09 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 2rkb s VAL 251 CO 0.01 0.56 -0.15 0.68 0.00 0.00 0.00 175.10 176.20 2rkb s VAL 252 N -0.02 1.68 0.67 2.92 -7.23 0.85 -4.85 120.40 114.41 2rkb s VAL 252 Ca -0.06 -2.13 -0.15 0.00 -1.81 0.00 0.00 61.98 57.84 2rkb s VAL 252 Cb -0.15 -1.97 0.00 0.00 0.56 0.00 0.00 36.38 34.83 2rkb s VAL 252 CO 0.05 -0.56 1.11 -1.61 -0.31 0.00 0.00 175.10 173.78 2rkb s GLU 253 N -3.46 2.77 0.32 4.82 0.41 -1.26 -0.45 118.70 121.84 2rkb s GLU 253 Ca 0.20 1.38 0.02 0.00 -0.41 0.00 0.00 54.97 56.16 2rkb s GLU 253 Cb -0.02 -1.95 0.58 0.00 -1.78 0.00 0.00 34.13 30.97 2rkb s GLU 253 CO 0.06 -1.28 1.93 -0.44 -0.49 0.00 0.00 175.26 175.04 2rkb h ASP 254 N -0.03 0.84 -1.00 -0.19 3.32 -1.95 -1.02 116.42 116.39 2rkb h ASP 254 Ca -0.47 0.00 0.11 0.00 0.02 0.00 0.00 57.03 56.69 2rkb h ASP 254 Cb 1.25 -0.18 -0.08 0.00 0.22 0.00 0.00 39.33 40.54 2rkb h ASP 254 CO 0.54 0.55 0.63 0.71 -1.72 0.00 0.00 179.24 179.95 2rkb h THR 255 N 0.96 0.96 -0.30 0.35 1.35 -1.94 0.22 112.91 114.51 2rkb h THR 255 Ca 0.36 -0.35 -0.12 0.00 -0.55 0.00 0.00 66.41 65.75 2rkb h THR 255 Cb 0.19 -0.16 -0.01 0.00 -1.73 0.00 0.00 68.15 66.44 2rkb h THR 255 CO -0.13 0.19 -0.30 -0.33 -0.25 0.00 0.00 175.52 174.70 2rkb h GLU 256 N 1.03 0.63 -0.19 4.72 5.08 -1.56 0.22 114.58 124.52 2rkb h GLU 256 Ca 0.48 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.51 2rkb h GLU 256 Cb 0.41 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2rkb h GLU 256 CO -0.24 0.86 -0.07 0.00 -1.00 0.00 0.00 179.01 178.56 2rkb h ALA 257 N 1.13 0.26 -0.32 3.43 0.00 -0.68 -1.38 119.26 121.69 2rkb h ALA 257 Ca 0.07 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2rkb h ALA 257 Cb 0.79 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2rkb h ALA 257 CO 0.06 0.06 -0.02 0.28 0.00 0.00 0.00 179.25 179.63 2rkb h VAL 258 N 0.07 1.27 -0.75 0.00 2.07 -0.56 -1.52 116.25 116.83 2rkb h VAL 258 Ca 0.04 -1.01 0.15 0.00 0.82 0.00 0.00 66.70 66.70 2rkb h VAL 258 Cb 0.53 1.27 -0.10 0.00 -1.52 0.00 0.00 31.29 31.47 2rkb h VAL 258 CO 0.02 0.33 0.26 -1.28 0.02 0.00 0.00 177.57 176.93 2rkb h SER 259 N 0.38 0.20 -0.56 0.57 0.87 -0.51 0.31 113.55 114.81 2rkb h SER 259 Ca 0.09 0.12 -0.11 0.00 -1.23 0.00 0.00 61.79 60.66 2rkb h SER 259 Cb 0.48 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 2rkb h SER 259 CO 0.02 0.05 -0.08 0.00 -0.53 0.00 0.00 176.83 176.29 2rkb h ALA 260 N 1.57 0.78 -0.49 6.23 0.00 -0.94 -2.12 119.26 124.30 2rkb h ALA 260 Ca 0.42 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 55.05 2rkb h ALA 260 Cb 0.67 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2rkb h ALA 260 CO -0.44 0.67 0.18 0.28 0.00 0.00 0.00 179.25 179.95 2rkb h VAL 261 N 0.94 0.85 -0.30 0.00 2.07 0.06 0.21 116.25 120.07 2rkb h VAL 261 Ca 0.15 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 2rkb h VAL 261 Cb 0.65 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2rkb h VAL 261 CO 0.04 0.07 0.17 -0.61 0.02 0.00 0.00 177.57 177.26 2rkb h GLN 262 N 0.36 0.41 -0.49 1.57 5.75 -0.99 -1.81 115.11 119.91 2rkb h GLN 262 Ca 0.23 -0.04 -0.13 0.00 -0.15 0.00 0.00 58.65 58.56 2rkb h GLN 262 Cb 0.23 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.68 2rkb h GLN 262 CO -0.23 0.33 -0.20 1.96 -2.65 0.00 0.00 178.83 178.05 2rkb h GLN 263 N 0.37 1.00 -0.37 1.69 4.20 -0.87 -2.15 115.11 118.98 2rkb h GLN 263 Ca 0.11 -0.42 -0.02 0.00 0.06 0.00 0.00 58.65 58.38 2rkb h GLN 263 Cb 0.03 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2rkb h GLN 263 CO -0.02 1.10 0.14 1.25 -0.67 0.00 0.00 178.83 180.63 2rkb h LEU 264 N 0.87 0.47 -0.10 1.46 7.12 -0.49 0.37 115.31 125.01 2rkb h LEU 264 Ca 0.12 -0.05 -0.01 0.00 0.13 0.00 0.00 57.88 58.07 2rkb h LEU 264 Cb 0.78 -0.12 -0.00 0.00 -0.53 0.00 0.00 40.66 40.78 2rkb h LEU 264 CO 0.06 0.43 0.01 0.25 -0.13 0.00 0.00 178.44 179.07 2rkb h LEU 265 N 0.52 0.16 -0.49 2.25 5.85 -0.93 0.92 115.31 123.59 2rkb h LEU 265 Ca 0.13 -0.27 -0.15 0.00 0.84 0.00 0.00 57.88 58.43 2rkb h LEU 265 Cb 0.12 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2rkb h LEU 265 CO -0.01 0.38 -0.42 0.44 -0.34 0.00 0.00 178.44 178.49 2rkb h ASP 266 N -0.08 0.82 0.09 1.25 3.32 -0.75 0.26 116.42 121.33 2rkb h ASP 266 Ca 0.03 -0.39 -0.15 0.00 0.02 0.00 0.00 57.03 56.54 2rkb h ASP 266 Cb 0.30 -0.23 0.02 0.00 0.22 0.00 0.00 39.33 39.63 2rkb h ASP 266 CO 0.00 1.13 -0.66 0.44 -1.72 0.00 0.00 179.24 178.44 2rkb h ASP 267 N 0.62 0.42 -0.08 6.45 3.32 -0.26 -3.37 116.42 123.52 2rkb h ASP 267 Ca 0.04 -0.91 0.00 0.00 0.02 0.00 0.00 57.03 56.19 2rkb h ASP 267 Cb 0.98 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.40 2rkb h ASP 267 CO 0.09 1.29 0.00 -0.62 -1.72 0.00 0.00 179.24 178.29 2rkb n GLU 268 N -4.21 2.38 -3.85 3.56 -0.58 0.30 -4.93 120.64 113.31 2rkb n GLU 268 Ca -0.12 -2.10 -0.26 0.00 -0.42 0.00 0.00 57.16 54.25 2rkb n GLU 268 Cb 0.74 -1.31 -0.02 0.00 -0.57 0.00 0.00 31.44 30.28 2rkb n GLU 268 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2rkb n ARG 269 N -0.69 -0.70 -3.71 3.49 1.85 0.90 -4.95 116.66 112.85 2rkb n ARG 269 Ca 0.10 -0.06 -0.17 0.00 -1.00 0.00 0.00 57.85 56.72 2rkb n ARG 269 Cb 0.48 -1.72 -0.16 0.00 -1.05 0.00 0.00 32.46 30.01 2rkb n ARG 269 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2rkb s MET 270 N -6.30 -0.01 -0.30 2.89 0.23 -1.25 -5.01 119.30 109.54 2rkb s MET 270 Ca 0.18 0.37 -0.21 0.00 -1.03 0.00 0.00 55.69 55.01 2rkb s MET 270 Cb -0.10 -0.33 -0.01 0.00 -1.53 0.00 0.00 34.83 32.86 2rkb s MET 270 CO 0.64 -0.25 0.67 -1.17 -2.03 0.00 0.00 175.02 172.88 2rkb s LEU 271 N 1.74 4.12 0.34 0.18 2.96 -1.26 -3.82 118.68 122.94 2rkb s LEU 271 Ca -0.02 0.53 0.09 0.00 -0.22 0.00 0.00 54.13 54.51 2rkb s LEU 271 Cb -0.12 -2.89 -0.06 0.00 0.50 0.00 0.00 46.19 43.62 2rkb s LEU 271 CO -0.04 -0.50 -0.03 0.68 -1.32 0.00 0.00 176.35 175.13 2rkb s VAL 272 N 2.69 2.43 0.66 1.68 -7.23 -1.26 -4.91 120.40 114.46 2rkb s VAL 272 Ca 0.27 -2.07 -0.14 0.00 -1.81 0.00 0.00 61.98 58.23 2rkb s VAL 272 Cb -0.15 -2.74 -0.00 0.00 0.56 0.00 0.00 36.38 34.05 2rkb s VAL 272 CO 0.11 -0.19 1.08 -1.61 -0.31 0.00 0.00 175.10 174.19 2rkb s GLU 273 N -3.67 2.89 0.34 4.82 2.02 -0.37 -4.82 118.70 119.92 2rkb s GLU 273 Ca 0.34 1.24 0.10 0.00 0.02 0.00 0.00 54.97 56.67 2rkb s GLU 273 Cb 0.01 -1.97 0.85 0.00 0.10 0.00 0.00 34.13 33.12 2rkb s GLU 273 CO 0.18 -1.16 1.81 -1.35 0.02 0.00 0.00 175.26 174.76 2rkb h PRO 274 N -0.12 0.63 -0.94 0.39 0.11 -1.88 0.27 132.00 130.46 2rkb h PRO 274 Ca -0.46 -0.04 0.08 0.00 0.11 0.00 0.00 66.00 65.69 2rkb h PRO 274 Cb 1.23 -0.14 -0.06 0.00 0.11 0.00 0.00 31.00 32.13 2rkb h PRO 274 CO 0.55 0.42 0.61 0.00 -0.21 0.00 0.00 178.00 179.36 2rkb h ALA 275 N 1.62 1.51 -0.01 -0.75 0.00 -1.91 0.17 119.26 119.90 2rkb h ALA 275 Ca 0.54 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 55.26 2rkb h ALA 275 Cb 0.98 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2rkb h ALA 275 CO -0.30 0.33 -0.78 0.00 0.00 0.00 0.00 179.25 178.50 2rkb h GLY 277 N 2.06 0.05 1.24 0.00 0.00 0.98 -0.36 103.07 107.04 2rkb h GLY 277 Ca -0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 2rkb h GLY 277 CO 0.11 0.03 0.35 0.00 0.00 0.00 0.00 176.54 177.02 2rkb h ALA 278 N 1.85 1.29 -0.03 3.60 0.00 -0.96 0.18 119.26 125.19 2rkb h ALA 278 Ca 0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2rkb h ALA 278 Cb 0.21 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2rkb h ALA 278 CO 0.01 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.82 2rkb h ALA 279 N 1.39 0.03 0.00 0.00 0.00 -1.15 -2.80 119.26 116.73 2rkb h ALA 279 Ca 0.24 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2rkb h ALA 279 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2rkb h ALA 279 CO -0.03 -0.31 0.00 -0.07 0.00 0.00 0.00 179.25 178.83 2rkb h LEU 280 N -0.23 0.00 -2.22 0.00 3.38 -0.91 -1.99 115.31 113.34 2rkb h LEU 280 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2rkb h LEU 280 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2rkb h LEU 280 CO 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 178.44 178.50 2rkb h ALA 281 N 2.08 1.10 -0.90 1.53 0.00 -0.36 -0.79 119.26 121.91 2rkb h ALA 281 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2rkb h ALA 281 Cb 0.34 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2rkb h ALA 281 CO 0.00 0.04 0.58 0.00 0.00 0.00 0.00 179.25 179.88 2rkb h ALA 282 N 1.97 1.33 -0.37 0.00 0.00 -1.44 0.25 119.26 120.99 2rkb h ALA 282 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2rkb h ALA 282 Cb 0.25 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2rkb h ALA 282 CO 0.00 0.61 0.00 -0.89 0.00 0.00 0.00 179.25 178.97 2rkb n ILE 283 N -4.39 0.00 -0.26 0.00 2.08 -0.39 -1.84 119.36 114.57 2rkb n ILE 283 Ca 0.10 0.44 0.33 0.00 0.56 0.00 0.00 62.75 64.18 2rkb n ILE 283 Cb 0.03 -1.33 0.72 0.00 -0.75 0.00 0.00 39.64 38.32 2rkb n ILE 283 CO 0.00 0.00 0.00 1.88 0.56 0.00 0.00 176.55 178.99 2rkb h TYR 284 N 0.00 0.00 -0.55 1.39 0.99 -1.38 0.14 116.97 117.56 2rkb h TYR 284 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2rkb h TYR 284 Cb 0.00 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.73 2rkb h TYR 284 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 178.16 178.59 2rkb n SER 285 N -3.99 3.29 0.00 3.88 7.64 0.87 -4.95 113.62 120.35 2rkb n SER 285 Ca 0.23 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 58.13 2rkb n SER 285 Cb 1.20 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 64.04 2rkb n SER 285 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rkb n GLY 286 N 1.48 0.54 0.20 0.23 0.00 0.50 -4.93 105.19 103.21 2rkb n GLY 286 Ca 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 2rkb n GLY 286 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2rkb h LEU 287 N 0.00 -0.10 -1.07 0.99 -0.00 -1.55 0.11 115.31 113.68 2rkb h LEU 287 Ca 0.00 0.10 0.03 0.00 -0.00 0.00 0.00 57.88 58.02 2rkb h LEU 287 Cb 0.12 0.16 -0.05 0.00 -0.00 0.00 0.00 40.66 40.89 2rkb h LEU 287 CO 0.00 -0.02 0.62 -0.07 -0.00 0.00 0.00 178.44 178.97 2rkb h LEU 288 N 0.17 1.04 -0.18 1.67 4.07 -1.70 0.25 115.31 120.63 2rkb h LEU 288 Ca 0.25 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.17 2rkb h LEU 288 Cb 0.35 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 2rkb h LEU 288 CO -0.36 0.72 0.00 0.03 -1.08 0.00 0.00 178.44 177.74 2rkb h ARG 289 N 1.21 0.31 -0.03 1.13 2.47 -1.52 -1.23 114.38 116.73 2rkb h ARG 289 Ca 0.38 -0.10 0.01 0.00 -1.26 0.00 0.00 59.98 59.01 2rkb h ARG 289 Cb -0.01 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.27 2rkb h ARG 289 CO -0.11 0.52 -0.03 -0.09 0.56 0.00 0.00 179.97 180.82 2rkb h ARG 290 N 0.06 -0.04 -0.70 0.04 2.43 -0.17 0.21 114.38 116.22 2rkb h ARG 290 Ca 0.05 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.27 2rkb h ARG 290 Cb 0.38 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.90 2rkb h ARG 290 CO 0.01 -0.03 0.46 -0.07 -1.51 0.00 0.00 179.97 178.83 2rkb h LEU 291 N -0.04 0.69 -0.29 3.80 3.38 -0.51 0.71 115.31 123.06 2rkb h LEU 291 Ca 0.02 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 2rkb h LEU 291 Cb 0.07 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2rkb h LEU 291 CO -0.05 0.47 -0.11 1.56 0.09 0.00 0.00 178.44 180.40 2rkb h GLN 292 N 0.80 0.58 0.01 1.13 4.20 -0.37 0.27 115.11 121.73 2rkb h GLN 292 Ca 0.29 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 2rkb h GLN 292 Cb 0.13 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.89 2rkb h GLN 292 CO -0.09 0.80 -0.00 0.00 -0.67 0.00 0.00 178.83 178.87 2rkb h ALA 293 N 0.76 -0.01 0.00 3.87 0.00 0.74 -1.43 119.26 123.19 2rkb h ALA 293 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2rkb h ALA 293 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2rkb h ALA 293 CO 0.04 -0.46 0.00 0.39 0.00 0.00 0.00 179.25 179.22 2rkb n GLU 294 N -5.05 0.10 -0.54 0.00 1.02 0.24 -4.82 120.64 111.58 2rkb n GLU 294 Ca -0.07 0.55 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 2rkb n GLU 294 Cb 0.08 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.71 2rkb n GLU 294 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rkb n GLY 295 N -1.12 0.76 0.17 0.62 0.00 -0.54 -4.92 105.19 100.16 2rkb n GLY 295 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2rkb n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rkb s LEU 297 N -0.65 -0.42 0.33 0.00 1.43 -1.18 -4.88 118.68 113.31 2rkb s LEU 297 Ca 0.00 1.20 -0.28 0.00 -1.03 0.00 0.00 54.13 54.03 2rkb s LEU 297 Cb 0.00 2.19 -0.13 0.00 0.03 0.00 0.00 46.19 48.28 2rkb s LEU 297 CO 0.00 -0.26 1.14 -0.81 0.23 0.00 0.00 176.35 176.65 2rkb n PRO 298 N 2.54 1.72 0.11 1.29 -0.04 -1.26 -4.63 135.00 134.74 2rkb n PRO 298 Ca -0.14 0.60 0.19 0.00 -0.04 0.00 0.00 63.50 64.11 2rkb n PRO 298 Cb 0.56 -2.09 0.76 0.00 -0.04 0.00 0.00 33.50 32.69 2rkb n PRO 298 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 2rkb h PRO 299 N 2.21 0.00 -4.08 0.54 0.11 -1.96 -3.38 132.00 125.44 2rkb h PRO 299 Ca -0.43 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.25 2rkb h PRO 299 Cb 1.31 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 32.08 2rkb h PRO 299 CO 0.61 0.00 -0.78 0.45 -0.21 0.00 0.00 178.00 178.07 2rkb s SER 300 N -5.64 1.15 -0.10 -2.05 0.15 -1.26 -5.13 113.70 100.82 2rkb s SER 300 Ca -0.05 -0.15 0.02 0.00 0.70 0.00 0.00 55.95 56.47 2rkb s SER 300 Cb 0.16 -0.51 0.01 0.00 -1.71 0.00 0.00 66.02 63.97 2rkb s SER 300 CO 0.58 -0.05 -0.16 -0.76 1.20 0.00 0.00 173.24 174.05 2rkb s LEU 301 N 0.98 1.77 0.61 3.45 1.02 -1.26 -4.98 118.68 120.27 2rkb s LEU 301 Ca -0.10 -0.43 0.28 0.00 0.02 0.00 0.00 54.13 53.91 2rkb s LEU 301 Cb -0.14 -1.10 1.48 0.00 0.02 0.00 0.00 46.19 46.45 2rkb s LEU 301 CO -0.00 0.04 1.88 0.00 0.02 0.00 0.00 176.35 178.29 2rkb h THR 302 N 5.92 0.27 0.00 5.49 1.03 -1.94 -3.42 112.91 120.26 2rkb h THR 302 Ca -0.29 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.11 2rkb h THR 302 Cb 1.19 0.61 0.00 0.00 -1.07 0.00 0.00 68.15 68.87 2rkb h THR 302 CO 0.49 0.00 0.00 -1.54 -0.01 0.00 0.00 175.52 174.46 2rkb n SER 303 N -3.49 0.00 -3.75 0.00 3.41 -1.26 -4.68 113.62 103.85 2rkb n SER 303 Ca 0.06 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.52 2rkb n SER 303 Cb 0.62 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.41 2rkb n SER 303 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2rkb s VAL 304 N -2.00 -0.07 -0.25 -3.33 0.11 -0.67 0.67 120.40 114.86 2rkb s VAL 304 Ca 0.00 0.22 -0.10 0.00 -2.93 0.00 0.00 61.98 59.17 2rkb s VAL 304 Cb 0.00 -0.16 -0.05 0.00 -1.53 0.00 0.00 36.38 34.64 2rkb s VAL 304 CO 0.00 0.09 0.15 -0.69 -3.33 0.00 0.00 175.10 171.32 2rkb s VAL 305 N 1.23 5.11 -0.27 2.04 1.01 -0.01 -0.95 120.40 128.57 2rkb s VAL 305 Ca -0.08 0.10 -0.08 0.00 0.00 0.00 0.00 61.98 61.92 2rkb s VAL 305 Cb -0.12 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 2rkb s VAL 305 CO -0.04 0.32 0.09 -0.69 0.00 0.00 0.00 175.10 174.77 2rkb s VAL 306 N 1.37 4.32 -0.39 2.92 1.01 0.37 0.39 120.40 130.39 2rkb s VAL 306 Ca 0.07 -0.29 -0.29 0.00 0.00 0.00 0.00 61.98 61.47 2rkb s VAL 306 Cb -0.15 -3.08 0.01 0.00 0.00 0.00 0.00 36.38 33.17 2rkb s VAL 306 CO 0.07 0.25 1.27 -0.63 0.00 0.00 0.00 175.10 176.06 2rkb s ILE 307 N 1.60 4.11 -1.08 2.22 1.01 0.38 -1.36 121.20 128.08 2rkb s ILE 307 Ca 0.06 1.19 -0.17 0.00 0.00 0.00 0.00 60.65 61.72 2rkb s ILE 307 Cb -0.16 -4.33 0.14 0.00 0.01 0.00 0.00 42.46 38.12 2rkb s ILE 307 CO 0.04 -0.73 1.33 -0.69 0.00 0.00 0.00 174.94 174.89 2rkb s VAL 308 N 4.70 4.75 0.49 2.92 1.01 0.40 -4.75 120.40 129.93 2rkb s VAL 308 Ca 0.55 -1.99 0.24 0.00 0.00 0.00 0.00 61.98 60.78 2rkb s VAL 308 Cb -0.12 -4.89 0.42 0.00 0.00 0.00 0.00 36.38 31.79 2rkb s VAL 308 CO 0.28 -1.63 1.92 0.00 0.00 0.00 0.00 175.10 175.67 2rkb n GLY 310 N -1.62 1.79 0.00 0.00 0.00 -1.26 -3.38 105.19 100.71 2rkb n GLY 310 Ca 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2rkb n GLY 310 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rkb n GLY 311 N 0.00 2.47 0.12 -0.02 0.00 -0.79 -1.23 105.19 105.73 2rkb n GLY 311 Ca 0.00 -1.73 -0.17 0.00 0.00 0.00 0.00 46.02 44.12 2rkb n GLY 311 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2rkb n ASN 312 N 0.00 1.64 -3.77 1.61 3.02 -1.26 -4.52 115.26 111.97 2rkb n ASN 312 Ca 0.00 0.26 -0.41 0.00 -0.03 0.00 0.00 54.58 54.40 2rkb n ASN 312 Cb 0.00 -0.53 -0.06 0.00 -0.61 0.00 0.00 39.78 38.58 2rkb n ASN 312 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2rkb n ASN 313 N -3.31 2.62 -3.60 6.41 5.15 -1.26 -4.79 115.26 116.48 2rkb n ASN 313 Ca -0.27 -2.68 -0.08 0.00 -0.60 0.00 0.00 54.58 50.94 2rkb n ASN 313 Cb 1.05 -1.21 -0.05 0.00 -0.53 0.00 0.00 39.78 39.04 2rkb n ASN 313 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 2rkb s ILE 314 N 5.89 0.00 0.11 -1.44 1.10 -1.26 -4.80 121.20 120.80 2rkb s ILE 314 Ca 0.59 0.00 -0.26 0.00 -0.51 0.00 0.00 60.65 60.47 2rkb s ILE 314 Cb 0.12 -1.00 0.08 0.00 0.15 0.00 0.00 42.46 41.81 2rkb s ILE 314 CO 0.12 0.00 1.05 0.54 -2.11 0.00 0.00 174.94 174.54 2rkb s ASN 315 N -1.08 -0.13 0.16 4.50 2.20 -1.26 -4.99 114.94 114.34 2rkb s ASN 315 Ca 0.01 -0.36 -0.30 0.00 -0.94 0.00 0.00 52.86 51.27 2rkb s ASN 315 Cb -0.01 0.41 -0.05 0.00 -2.00 0.00 0.00 41.25 39.61 2rkb s ASN 315 CO -0.01 -0.76 1.54 0.28 -2.94 0.00 0.00 177.10 175.21 2rkb h SER 316 N 2.00 -2.08 -0.62 3.54 0.02 -2.02 0.99 113.55 115.39 2rkb h SER 316 Ca -0.26 0.32 0.02 0.00 -0.84 0.00 0.00 61.79 61.03 2rkb h SER 316 Cb 1.22 0.92 -0.04 0.00 0.14 0.00 0.00 62.40 64.65 2rkb h SER 316 CO 0.27 -0.25 0.39 0.03 -1.14 0.00 0.00 176.83 176.13 2rkb h ARG 317 N -0.03 0.76 -0.61 3.45 3.08 -1.99 -1.65 114.38 117.39 2rkb h ARG 317 Ca 0.17 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 2rkb h ARG 317 Cb 0.44 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 2rkb h ARG 317 CO -0.92 0.50 0.34 0.93 -1.07 0.00 0.00 179.97 179.76 2rkb h GLU 318 N 0.78 0.84 -0.82 0.04 4.39 -1.55 0.10 114.58 118.36 2rkb h GLU 318 Ca 0.24 -0.09 0.03 0.00 0.34 0.00 0.00 59.36 59.88 2rkb h GLU 318 Cb -0.02 -0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 28.41 2rkb h GLU 318 CO -0.08 0.63 0.52 1.25 -1.16 0.00 0.00 179.01 180.17 2rkb h LEU 319 N 0.82 0.86 -0.18 1.33 5.85 -0.45 -0.10 115.31 123.44 2rkb h LEU 319 Ca 0.21 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2rkb h LEU 319 Cb 0.03 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2rkb h LEU 319 CO -0.04 0.59 0.11 1.56 -0.34 0.00 0.00 178.44 180.33 2rkb h GLN 320 N 1.01 0.23 -0.12 1.25 1.08 -0.50 0.37 115.11 118.43 2rkb h GLN 320 Ca 0.33 -0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.56 2rkb h GLN 320 Cb 0.02 -0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.35 2rkb h GLN 320 CO -0.12 0.16 -0.19 0.00 -0.95 0.00 0.00 178.83 177.74 2rkb h ALA 321 N 1.06 -0.13 -0.07 3.87 0.00 -0.25 0.26 119.26 124.00 2rkb h ALA 321 Ca 0.06 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2rkb h ALA 321 Cb -0.02 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2rkb h ALA 321 CO -0.01 -0.64 -0.08 -0.07 0.00 0.00 0.00 179.25 178.44 2rkb h LEU 322 N -0.24 -0.25 -1.29 0.00 3.38 -0.76 0.49 115.31 116.63 2rkb h LEU 322 Ca 0.10 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.14 2rkb h LEU 322 Cb 0.38 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 2rkb h LEU 322 CO -0.26 -0.12 0.49 0.11 0.09 0.00 0.00 178.44 178.75 2rkb h LYS 323 N -0.11 0.91 0.22 1.13 1.57 -0.48 -0.69 116.57 119.13 2rkb h LYS 323 Ca 0.06 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2rkb h LYS 323 Cb 0.19 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2rkb h LYS 323 CO -0.13 0.60 -0.11 1.15 -0.57 0.00 0.00 179.45 180.39 2rkb h THR 324 N 0.94 0.74 -0.36 -0.16 2.02 0.22 0.46 112.91 116.77 2rkb h THR 324 Ca 0.29 -0.93 0.11 0.00 0.77 0.00 0.00 66.41 66.64 2rkb h THR 324 Cb -0.01 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 2rkb h THR 324 CO -0.08 0.17 0.56 -0.74 0.37 0.00 0.00 175.52 175.80 2rkb h HIS 325 N -0.85 0.00 -0.15 3.16 -0.00 0.22 0.20 115.15 117.74 2rkb h HIS 325 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 2rkb h HIS 325 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.92 2rkb h HIS 325 CO 0.06 0.00 0.00 1.28 -0.00 0.00 0.00 177.93 179.27 2rkb n LEU 326 N -3.35 2.87 -3.06 0.26 4.32 -0.29 -5.05 117.00 112.71 2rkb n LEU 326 Ca 0.07 -2.65 -0.14 0.00 -0.02 0.00 0.00 56.01 53.26 2rkb n LEU 326 Cb 0.71 -0.35 0.01 0.00 -1.62 0.00 0.00 43.42 42.17 2rkb n LEU 326 CO 0.21 0.66 0.01 0.61 -1.22 0.00 0.00 177.39 177.67 2rkb n GLY 327 N -0.60 -1.01 0.00 -0.72 0.00 0.70 -5.00 105.19 98.56 2rkb n GLY 327 Ca 0.14 1.10 0.00 0.00 0.00 0.00 0.00 46.02 47.26 2rkb n GLY 327 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26