#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rbc n GLY 7 N 0.00 -0.35 3.75 -0.02 0.00 -1.26 -4.43 105.19 102.88 2rbc n GLY 7 Ca 0.00 -1.52 -0.35 0.00 0.00 0.00 0.00 46.02 44.15 2rbc n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rbc s LYS 8 N -3.96 2.85 -0.27 1.61 -0.14 -1.26 -4.37 119.74 114.20 2rbc s LYS 8 Ca 0.00 1.73 -0.08 0.00 -1.36 0.00 0.00 55.97 56.26 2rbc s LYS 8 Cb 0.00 -1.92 -0.02 0.00 -1.68 0.00 0.00 37.83 34.20 2rbc s LYS 8 CO 0.00 -1.28 0.09 -1.58 -0.76 0.00 0.00 175.35 171.82 2rbc s HIS 9 N -1.79 3.11 -0.16 3.18 2.46 -1.26 0.06 115.29 120.90 2rbc s HIS 9 Ca 0.75 -0.49 -0.01 0.00 0.47 0.00 0.00 55.06 55.77 2rbc s HIS 9 Cb -0.28 -2.26 -0.01 0.00 -0.13 0.00 0.00 32.58 29.90 2rbc s HIS 9 CO 0.36 -0.39 -0.11 0.08 -2.47 0.00 0.00 174.74 172.20 2rbc s VAL 10 N 1.61 3.05 -0.20 0.89 1.01 -0.10 -0.14 120.40 126.52 2rbc s VAL 10 Ca 0.06 -0.64 -0.26 0.00 0.00 0.00 0.00 61.98 61.14 2rbc s VAL 10 Cb -0.16 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 2rbc s VAL 10 CO 0.04 0.50 0.87 -0.22 0.00 0.00 0.00 175.10 176.29 2rbc s LEU 11 N 0.75 4.13 -0.09 3.92 2.96 -0.85 -1.83 118.68 127.67 2rbc s LEU 11 Ca -0.05 1.18 -0.02 0.00 -0.22 0.00 0.00 54.13 55.02 2rbc s LEU 11 Cb -0.15 -3.29 -0.03 0.00 0.50 0.00 0.00 46.19 43.22 2rbc s LEU 11 CO 0.01 -0.49 -0.01 0.00 -1.32 0.00 0.00 176.35 174.55 2rbc s VAL 13 N -0.75 1.03 0.00 0.00 1.01 0.18 -1.42 120.40 120.46 2rbc s VAL 13 Ca 0.12 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.71 2rbc s VAL 13 Cb -0.12 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.29 2rbc s VAL 13 CO 0.02 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.07 2rbc n GLY 14 N 4.10 0.23 3.76 4.51 0.00 -0.65 -1.30 105.19 115.85 2rbc n GLY 14 Ca -0.21 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 2rbc n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rbc s ALA 15 N -1.00 3.50 -0.24 4.61 0.00 -1.26 -4.36 121.76 123.01 2rbc s ALA 15 Ca 0.00 1.22 -0.03 0.00 0.00 0.00 0.00 51.96 53.15 2rbc s ALA 15 Cb 0.00 -3.47 0.10 0.00 0.00 0.00 0.00 23.12 19.75 2rbc s ALA 15 CO 0.00 -0.60 0.22 0.00 0.00 0.00 0.00 175.76 175.38 2rbc s ALA 16 N -0.94 -0.11 -0.02 0.00 0.00 -1.26 -2.51 121.76 116.93 2rbc s ALA 16 Ca 0.50 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 52.27 2rbc s ALA 16 Cb -0.39 -1.45 0.01 0.00 0.00 0.00 0.00 23.12 21.29 2rbc s ALA 16 CO 0.50 -1.43 -0.03 0.08 0.00 0.00 0.00 175.76 174.87 2rbc s VAL 17 N 2.28 0.35 -0.61 0.00 1.01 0.55 -4.43 120.40 119.56 2rbc s VAL 17 Ca 0.08 -0.10 -0.25 0.00 0.00 0.00 0.00 61.98 61.71 2rbc s VAL 17 Cb -0.15 -0.36 0.04 0.00 0.00 0.00 0.00 36.38 35.91 2rbc s VAL 17 CO -0.22 0.14 1.03 -0.22 0.00 0.00 0.00 175.10 175.83 2rbc s LEU 18 N 0.46 3.94 0.02 3.92 2.96 -0.59 -0.47 118.68 128.92 2rbc s LEU 18 Ca -0.05 -0.45 -0.20 0.00 -0.22 0.00 0.00 54.13 53.20 2rbc s LEU 18 Cb -0.08 -2.74 -0.06 0.00 0.50 0.00 0.00 46.19 43.81 2rbc s LEU 18 CO -0.01 -1.40 0.59 -1.81 -1.32 0.00 0.00 176.35 172.40 2rbc s ASP 19 N 3.19 7.00 -0.26 3.68 1.01 -0.15 -1.28 116.67 129.86 2rbc s ASP 19 Ca 0.31 1.19 -0.04 0.00 0.71 0.00 0.00 52.55 54.72 2rbc s ASP 19 Cb -0.12 -2.36 0.01 0.00 1.01 0.00 0.00 42.92 41.46 2rbc s ASP 19 CO 0.17 0.14 -0.01 -0.89 0.21 0.00 0.00 175.17 174.80 2rbc s THR 20 N -0.42 3.36 -0.31 -1.27 2.01 -0.04 -0.81 115.64 118.15 2rbc s THR 20 Ca 0.31 -0.77 -0.09 0.00 0.31 0.00 0.00 61.69 61.44 2rbc s THR 20 Cb -0.19 -2.67 -0.00 0.00 0.01 0.00 0.00 72.50 69.65 2rbc s THR 20 CO 0.18 0.22 0.14 -0.76 -0.69 0.00 0.00 174.62 173.70 2rbc s LEU 21 N 1.42 4.09 -0.30 4.42 1.43 0.54 -0.86 118.68 129.42 2rbc s LEU 21 Ca 0.02 -0.61 -0.08 0.00 -1.03 0.00 0.00 54.13 52.44 2rbc s LEU 21 Cb -0.16 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.09 2rbc s LEU 21 CO -0.02 -0.21 0.10 -0.36 0.23 0.00 0.00 176.35 176.09 2rbc s PHE 22 N 1.58 3.15 -0.29 0.29 0.08 -0.07 -1.30 117.98 121.41 2rbc s PHE 22 Ca 0.04 -0.85 -0.17 0.00 0.12 0.00 0.00 56.93 56.08 2rbc s PHE 22 Cb -0.17 -2.28 -0.02 0.00 -0.57 0.00 0.00 43.02 39.98 2rbc s PHE 22 CO 0.05 -0.53 0.46 0.50 -0.10 0.00 0.00 175.22 175.59 2rbc s ARG 23 N 1.53 3.91 0.24 0.44 3.52 -0.01 -1.08 118.95 127.50 2rbc s ARG 23 Ca 0.03 0.06 0.08 0.00 -0.13 0.00 0.00 55.73 55.78 2rbc s ARG 23 Cb -0.17 -3.70 -0.05 0.00 -1.56 0.00 0.00 34.95 29.47 2rbc s ARG 23 CO 0.03 -0.41 -0.13 0.14 -0.81 0.00 0.00 175.30 174.12 2rbc s VAL 24 N 2.23 1.84 -0.03 7.11 -7.23 -0.25 -0.33 120.40 123.75 2rbc s VAL 24 Ca 0.18 -2.22 -0.07 0.00 -1.81 0.00 0.00 61.98 58.05 2rbc s VAL 24 Cb -0.16 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 2rbc s VAL 24 CO 0.11 -0.49 0.42 0.00 -0.31 0.00 0.00 175.10 174.83 2rbc h ALA 25 N 2.44 -0.38 -3.00 1.32 0.00 -1.85 -2.17 119.26 115.61 2rbc h ALA 25 Ca -0.39 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2rbc h ALA 25 Cb 1.23 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2rbc h ALA 25 CO 0.63 -0.36 0.00 -0.25 0.00 0.00 0.00 179.25 179.27 2rbc n ASP 26 N -3.92 0.00 -4.54 0.00 8.00 -1.26 -1.36 116.55 113.47 2rbc n ASP 26 Ca -0.03 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.21 2rbc n ASP 26 Cb 0.11 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.11 2rbc n ASP 26 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2rbc s PRO 28 N 4.84 1.93 -0.05 -0.24 0.04 -1.26 -4.98 135.00 135.28 2rbc s PRO 28 Ca 0.00 -1.46 0.14 0.00 0.04 0.00 0.00 61.00 59.72 2rbc s PRO 28 Cb 0.00 -2.01 0.27 0.00 0.04 0.00 0.00 34.50 32.79 2rbc s PRO 28 CO 0.00 0.39 1.12 1.63 0.04 0.00 0.00 177.00 180.18 2rbc n LYS 29 N -0.27 0.42 -1.80 4.56 4.76 -1.26 -5.10 118.16 119.47 2rbc n LYS 29 Ca -0.09 -1.95 0.00 0.00 -2.87 0.00 0.00 58.31 53.40 2rbc n LYS 29 Cb 0.57 -0.62 0.00 0.00 -1.84 0.00 0.00 35.03 33.14 2rbc n LYS 29 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2rbc n GLY 30 N -0.18 -0.36 3.50 0.72 0.00 -1.26 -5.13 105.19 102.48 2rbc n GLY 30 Ca 0.07 -1.63 -0.30 0.00 0.00 0.00 0.00 46.02 44.16 2rbc n GLY 30 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2rbc n GLU 31 N -0.65 -1.58 0.00 1.61 -0.00 -1.26 -4.79 120.64 113.97 2rbc n GLU 31 Ca 0.00 -0.42 0.00 0.00 -0.00 0.00 0.00 57.16 56.74 2rbc n GLU 31 Cb 0.00 -2.14 0.00 0.00 -0.00 0.00 0.00 31.44 29.30 2rbc n GLU 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2rbc n GLY 32 N 0.97 0.11 3.18 -1.84 0.00 -1.26 -5.07 105.19 101.28 2rbc n GLY 32 Ca 0.06 -1.67 -0.13 0.00 0.00 0.00 0.00 46.02 44.28 2rbc n GLY 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2rbc s LYS 33 N -0.26 0.35 -0.05 1.61 2.20 -1.26 -5.14 119.74 117.18 2rbc s LYS 33 Ca 0.00 0.41 0.02 0.00 -0.36 0.00 0.00 55.97 56.04 2rbc s LYS 33 Cb 0.00 0.17 0.01 0.00 -1.51 0.00 0.00 37.83 36.50 2rbc s LYS 33 CO 0.00 -0.04 -0.09 0.54 -0.36 0.00 0.00 175.35 175.40 2rbc s VAL 34 N 0.16 0.90 -0.23 4.02 0.11 -1.26 -5.09 120.40 119.01 2rbc s VAL 34 Ca -0.00 -0.35 -0.18 0.00 -2.93 0.00 0.00 61.98 58.52 2rbc s VAL 34 Cb -0.02 -0.84 -0.03 0.00 -1.53 0.00 0.00 36.38 33.96 2rbc s VAL 34 CO 0.00 0.30 0.49 -0.76 -3.33 0.00 0.00 175.10 171.80 2rbc s LEU 35 N 0.68 4.09 0.40 2.54 1.43 -1.26 -5.06 118.68 121.50 2rbc s LEU 35 Ca -0.12 0.55 -0.23 0.00 -1.03 0.00 0.00 54.13 53.30 2rbc s LEU 35 Cb -0.15 -2.64 -0.10 0.00 0.03 0.00 0.00 46.19 43.34 2rbc s LEU 35 CO 0.02 -0.22 0.97 -2.16 0.23 0.00 0.00 176.35 175.20 2rbc s PRO 36 N 1.94 4.27 -0.00 1.29 0.04 -1.26 -4.72 135.00 136.55 2rbc s PRO 36 Ca 0.21 1.26 0.21 0.00 0.04 0.00 0.00 61.00 62.72 2rbc s PRO 36 Cb -0.15 -2.39 -0.23 0.00 0.04 0.00 0.00 34.50 31.76 2rbc s PRO 36 CO 0.09 -0.01 0.83 2.48 0.04 0.00 0.00 177.00 180.44 2rbc n TYR 37 N -0.27 0.00 -3.76 0.56 0.18 0.55 -4.92 117.16 109.50 2rbc n TYR 37 Ca 0.06 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.71 2rbc n TYR 37 Cb 0.52 -0.10 -0.11 0.00 -0.38 0.00 0.00 39.34 39.27 2rbc n TYR 37 CO 0.00 0.00 0.00 -2.00 -2.08 0.00 0.00 176.86 172.78 2rbc s GLU 38 N -3.10 0.37 -0.04 -3.48 2.12 -1.22 -5.02 118.70 108.33 2rbc s GLU 38 Ca 0.05 0.46 0.01 0.00 0.36 0.00 0.00 54.97 55.85 2rbc s GLU 38 Cb 0.16 0.17 0.02 0.00 0.26 0.00 0.00 34.13 34.74 2rbc s GLU 38 CO 0.87 -0.05 -0.05 0.08 -0.54 0.00 0.00 175.26 175.58 2rbc s VAL 39 N 0.21 0.54 -0.08 3.70 1.01 -1.26 -0.83 120.40 123.70 2rbc s VAL 39 Ca -0.00 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.85 2rbc s VAL 39 Cb -0.03 -0.56 0.02 0.00 0.00 0.00 0.00 36.38 35.81 2rbc s VAL 39 CO 0.00 0.22 -0.09 -0.22 0.00 0.00 0.00 175.10 175.01 2rbc s LEU 40 N 0.84 1.39 -0.26 3.92 2.96 -0.42 -4.98 118.68 122.13 2rbc s LEU 40 Ca -0.11 -0.26 -0.10 0.00 -0.22 0.00 0.00 54.13 53.44 2rbc s LEU 40 Cb -0.14 -0.74 -0.05 0.00 0.50 0.00 0.00 46.19 45.77 2rbc s LEU 40 CO 0.00 -0.04 0.17 -1.10 -1.32 0.00 0.00 176.35 174.06 2rbc s GLN 41 N 1.09 3.94 -0.05 1.98 -0.21 -1.26 -0.34 119.66 124.81 2rbc s GLN 41 Ca -0.07 -0.33 -0.02 0.00 0.02 0.00 0.00 55.36 54.96 2rbc s GLN 41 Cb -0.14 -3.58 0.04 0.00 1.00 0.00 0.00 33.01 30.32 2rbc s GLN 41 CO -0.01 -0.12 0.12 -1.50 -2.12 0.00 0.00 175.29 171.66 2rbc s ILE 42 N 1.55 -0.05 -0.19 1.08 2.07 0.01 -5.00 121.20 120.66 2rbc s ILE 42 Ca 0.07 0.18 -0.29 0.00 -1.41 0.00 0.00 60.65 59.20 2rbc s ILE 42 Cb -0.15 -0.20 0.00 0.00 0.13 0.00 0.00 42.46 42.24 2rbc s ILE 42 CO 0.08 0.07 1.00 0.00 -1.91 0.00 0.00 174.94 174.19 2rbc s ALA 43 N 1.10 3.59 0.00 1.50 0.00 -1.26 -0.98 121.76 125.71 2rbc s ALA 43 Ca -0.09 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.08 2rbc s ALA 43 Cb -0.11 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.53 2rbc s ALA 43 CO -0.05 -0.89 0.00 -0.85 0.00 0.00 0.00 175.76 173.97 2rbc n GLU 44 N 5.85 0.00 0.00 0.00 0.28 0.39 -4.85 120.64 122.30 2rbc n GLU 44 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 2rbc n GLU 44 Cb 0.47 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.34 2rbc n GLU 44 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2rbc n GLY 45 N 0.00 0.30 0.00 -1.84 0.00 -1.26 -0.33 105.19 102.06 2rbc n GLY 45 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.57 2rbc n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rbc n ALA 47 N -0.31 0.00 -0.12 4.61 0.00 -1.25 -1.19 120.51 122.26 2rbc n ALA 47 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2rbc n ALA 47 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2rbc n ALA 47 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2rbc h SER 48 N 0.00 0.81 -0.25 0.00 0.02 -1.76 0.13 113.55 112.49 2rbc h SER 48 Ca 0.00 -0.43 -0.15 0.00 -0.84 0.00 0.00 61.79 60.37 2rbc h SER 48 Cb 0.00 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 2rbc h SER 48 CO 0.00 1.06 -0.40 0.28 -1.14 0.00 0.00 176.83 176.63 2rbc h SER 49 N 0.56 0.86 -0.38 3.07 0.02 -1.45 -0.82 113.55 115.41 2rbc h SER 49 Ca 0.07 -0.39 0.01 0.00 -0.84 0.00 0.00 61.79 60.64 2rbc h SER 49 Cb 0.78 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 2rbc h SER 49 CO 0.06 1.15 0.24 0.00 -1.14 0.00 0.00 176.83 177.14 2rbc h ALA 50 N 0.89 0.48 -0.35 3.77 0.00 -1.64 -0.41 119.26 122.00 2rbc h ALA 50 Ca 0.05 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2rbc h ALA 50 Cb 0.97 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2rbc h ALA 50 CO 0.09 -0.08 0.15 0.00 0.00 0.00 0.00 179.25 179.41 2rbc h ALA 51 N 1.15 0.42 -0.71 0.00 0.00 -0.76 -0.64 119.26 118.72 2rbc h ALA 51 Ca 0.14 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.15 2rbc h ALA 51 Cb -0.04 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 2rbc h ALA 51 CO -0.04 -0.23 0.39 -0.92 0.00 0.00 0.00 179.25 178.45 2rbc h TYR 52 N 0.32 0.72 -0.79 0.00 3.20 -0.91 -2.30 116.97 117.21 2rbc h TYR 52 Ca 0.15 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 2rbc h TYR 52 Cb 0.10 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.11 2rbc h TYR 52 CO -0.12 0.32 0.46 0.00 -1.64 0.00 0.00 178.16 177.18 2rbc h ALA 53 N 1.38 1.01 -0.28 1.82 0.00 -0.57 -0.31 119.26 122.30 2rbc h ALA 53 Ca 0.33 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.18 2rbc h ALA 53 Cb 0.24 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 2rbc h ALA 53 CO -0.21 0.50 -0.02 0.28 0.00 0.00 0.00 179.25 179.80 2rbc h VAL 54 N 1.09 0.77 -0.02 0.00 2.07 -0.71 -2.76 116.25 116.69 2rbc h VAL 54 Ca 0.28 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.80 2rbc h VAL 54 Cb -0.00 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 2rbc h VAL 54 CO -0.05 0.01 -0.07 -0.74 0.02 0.00 0.00 177.57 176.75 2rbc h HIS 55 N 0.06 -0.16 0.00 1.57 6.17 -1.03 0.34 115.15 122.10 2rbc h HIS 55 Ca 0.14 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.22 2rbc h HIS 55 Cb 0.19 0.08 0.00 0.00 2.52 0.00 0.00 27.41 30.20 2rbc h HIS 55 CO -0.23 -0.10 0.00 0.54 0.71 0.00 0.00 177.93 178.84 2rbc n ARG 56 N -5.19 0.08 0.00 5.26 5.12 -0.16 -3.96 116.66 117.82 2rbc n ARG 56 Ca -0.06 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.86 2rbc n ARG 56 Cb 0.11 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 29.96 2rbc n ARG 56 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2rbc n GLY 58 N 1.24 -0.36 3.40 -0.13 0.00 -1.07 -2.32 105.19 105.94 2rbc n GLY 58 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2rbc n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rbc n GLY 59 N -0.13 1.47 3.53 -0.02 0.00 0.09 -4.17 105.19 105.95 2rbc n GLY 59 Ca 0.00 -2.14 -0.34 0.00 0.00 0.00 0.00 46.02 43.54 2rbc n GLY 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rbc s ARG 60 N -4.47 3.38 -0.06 1.61 0.52 0.11 -4.06 118.95 115.98 2rbc s ARG 60 Ca 0.55 -0.52 0.05 0.00 -0.52 0.00 0.00 55.73 55.28 2rbc s ARG 60 Cb -0.04 -2.81 -0.01 0.00 0.52 0.00 0.00 34.95 32.61 2rbc s ARG 60 CO 0.35 0.38 -0.22 0.00 0.02 0.00 0.00 175.30 175.84 2rbc s ALA 61 N -0.03 1.92 0.13 2.13 0.00 -1.26 -0.92 121.76 123.73 2rbc s ALA 61 Ca 0.01 -0.89 0.11 0.00 0.00 0.00 0.00 51.96 51.19 2rbc s ALA 61 Cb -0.13 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 2rbc s ALA 61 CO 0.03 0.33 -0.27 -1.12 0.00 0.00 0.00 175.76 174.73 2rbc s SER 62 N 0.04 3.30 -0.06 0.00 0.01 -0.76 -0.77 113.70 115.46 2rbc s SER 62 Ca -0.07 -0.74 0.02 0.00 1.31 0.00 0.00 55.95 56.47 2rbc s SER 62 Cb -0.14 -0.22 0.01 0.00 0.21 0.00 0.00 66.02 65.88 2rbc s SER 62 CO 0.04 0.18 -0.11 -0.22 0.41 0.00 0.00 173.24 173.54 2rbc s LEU 63 N -2.03 1.62 -0.14 2.44 2.96 -0.81 -0.57 118.68 122.15 2rbc s LEU 63 Ca 0.14 -0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 53.77 2rbc s LEU 63 Cb -0.10 -0.74 -0.02 0.00 0.50 0.00 0.00 46.19 45.83 2rbc s LEU 63 CO 0.06 0.03 -0.09 0.26 -1.32 0.00 0.00 176.35 175.29 2rbc s TRP 64 N 0.62 2.91 0.04 5.38 0.51 -0.50 -4.44 118.94 123.46 2rbc s TRP 64 Ca -0.12 -0.49 -0.28 0.00 -2.12 0.00 0.00 56.10 53.08 2rbc s TRP 64 Cb -0.15 -1.90 0.10 0.00 -0.81 0.00 0.00 33.47 30.71 2rbc s TRP 64 CO 0.03 -0.14 1.21 0.20 -0.51 0.00 0.00 176.95 177.74 2rbc s GLY 65 N 0.38 -0.23 -0.01 0.98 0.00 -1.26 -1.64 107.32 105.54 2rbc s GLY 65 Ca -0.08 0.29 0.06 0.00 0.00 0.00 0.00 44.72 44.99 2rbc s GLY 65 CO 0.04 1.93 -0.18 0.00 0.00 0.00 0.00 173.10 174.90 2rbc s ALA 66 N -2.38 1.48 0.27 3.20 0.00 -1.26 0.06 121.76 123.12 2rbc s ALA 66 Ca 0.19 -0.79 0.06 0.00 0.00 0.00 0.00 51.96 51.43 2rbc s ALA 66 Cb 0.02 -0.36 -0.06 0.00 0.00 0.00 0.00 23.12 22.72 2rbc s ALA 66 CO -0.01 0.36 -0.05 0.14 0.00 0.00 0.00 175.76 176.20 2rbc s VAL 67 N -0.46 1.55 0.70 0.00 -7.23 0.10 -4.72 120.40 110.34 2rbc s VAL 67 Ca 0.07 -2.11 -0.08 0.00 -1.81 0.00 0.00 61.98 58.05 2rbc s VAL 67 Cb -0.07 -2.43 0.05 0.00 0.56 0.00 0.00 36.38 34.49 2rbc s VAL 67 CO -0.00 -0.31 1.03 -0.83 -0.31 0.00 0.00 175.10 174.68 2rbc s GLY 68 N -3.42 1.64 -1.44 2.32 0.00 -1.26 -0.28 107.32 104.88 2rbc s GLY 68 Ca 0.29 -0.75 -0.13 0.00 0.00 0.00 0.00 44.72 44.13 2rbc s GLY 68 CO 0.11 -0.36 2.24 1.34 0.00 0.00 0.00 173.10 176.43 2rbc n ASP 69 N -2.94 4.66 -3.52 1.64 -0.08 -1.25 -4.39 116.55 110.67 2rbc n ASP 69 Ca 0.07 -2.87 -0.15 0.00 -1.51 0.00 0.00 54.79 50.33 2rbc n ASP 69 Cb 0.60 -1.61 -0.06 0.00 2.34 0.00 0.00 41.12 42.38 2rbc n ASP 69 CO 0.00 0.00 0.00 1.51 0.12 0.00 0.00 177.20 178.83 2rbc s ASP 70 N 2.58 0.88 0.20 1.67 1.47 -1.26 -4.93 116.67 117.27 2rbc s ASP 70 Ca 0.48 -1.48 -0.07 0.00 1.18 0.00 0.00 52.55 52.65 2rbc s ASP 70 Cb 0.14 0.58 0.13 0.00 -0.34 0.00 0.00 42.92 43.43 2rbc s ASP 70 CO -0.07 -1.14 1.69 -0.33 0.68 0.00 0.00 175.17 176.00 2rbc h GLU 71 N 2.22 1.05 -0.98 2.11 5.08 -2.00 -1.62 114.58 120.44 2rbc h GLU 71 Ca -0.28 -0.30 0.03 0.00 -1.00 0.00 0.00 59.36 57.81 2rbc h GLU 71 Cb 1.24 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.32 2rbc h GLU 71 CO 0.40 0.99 0.64 1.15 -1.00 0.00 0.00 179.01 181.20 2rbc h THR 72 N 0.97 1.17 -0.57 1.13 2.02 -1.96 -2.08 112.91 113.61 2rbc h THR 72 Ca 0.18 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 2rbc h THR 72 Cb 0.49 -0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.69 2rbc h THR 72 CO 0.02 0.23 0.27 1.23 0.37 0.00 0.00 175.52 177.64 2rbc h GLY 73 N 1.25 0.87 1.01 2.16 0.00 -1.54 -0.20 103.07 106.62 2rbc h GLY 73 Ca 0.39 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 47.29 2rbc h GLY 73 CO -0.12 0.41 0.60 -0.84 0.00 0.00 0.00 176.54 176.59 2rbc h THR 74 N 0.77 1.23 -0.31 4.70 2.02 -1.01 -0.37 112.91 119.94 2rbc h THR 74 Ca 0.19 -0.42 -0.18 0.00 0.77 0.00 0.00 66.41 66.77 2rbc h THR 74 Cb 0.12 -0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.42 2rbc h THR 74 CO -0.02 0.23 -0.51 -0.09 0.37 0.00 0.00 175.52 175.49 2rbc h ARG 75 N 1.23 0.90 -0.03 6.66 2.43 -0.98 -1.54 114.38 123.05 2rbc h ARG 75 Ca 0.33 -0.55 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 2rbc h ARG 75 Cb -0.14 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2rbc h ARG 75 CO -0.07 1.19 0.02 0.82 -1.51 0.00 0.00 179.97 180.41 2rbc h ILE 76 N 0.69 1.01 -0.64 1.20 2.04 -0.72 -1.10 117.51 119.98 2rbc h ILE 76 Ca 0.02 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.88 2rbc h ILE 76 Cb 1.12 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 2rbc h ILE 76 CO 0.12 0.01 0.42 -0.07 0.00 0.00 0.00 178.15 178.63 2rbc h LEU 77 N 0.03 0.73 -0.31 1.44 3.38 -1.00 -1.40 115.31 118.19 2rbc h LEU 77 Ca 0.01 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2rbc h LEU 77 Cb -0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2rbc h LEU 77 CO -0.00 0.53 0.07 -0.09 0.09 0.00 0.00 178.44 179.04 2rbc h ARG 78 N 0.86 0.49 0.02 1.13 2.43 -1.17 -1.60 114.38 116.54 2rbc h ARG 78 Ca 0.24 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2rbc h ARG 78 Cb -0.09 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 2rbc h ARG 78 CO -0.05 0.56 -0.01 0.22 -1.51 0.00 0.00 179.97 179.18 2rbc h ASP 79 N 0.33 -0.02 -0.50 -3.80 3.58 -1.07 -0.95 116.42 113.99 2rbc h ASP 79 Ca 0.10 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.41 2rbc h ASP 79 Cb 0.29 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 2rbc h ASP 79 CO 0.00 0.13 0.33 -0.07 -2.88 0.00 0.00 179.24 176.75 2rbc h LEU 80 N -0.17 0.58 -0.76 2.28 3.38 -1.25 0.01 115.31 119.38 2rbc h LEU 80 Ca -0.00 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 2rbc h LEU 80 Cb 0.16 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2rbc h LEU 80 CO 0.00 0.42 -0.53 0.77 0.09 0.00 0.00 178.44 179.19 2rbc h SER 81 N 0.68 0.25 0.73 -0.43 4.64 -1.23 -1.84 113.55 116.34 2rbc h SER 81 Ca 0.18 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2rbc h SER 81 Cb -0.08 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 2rbc h SER 81 CO -0.04 0.74 0.00 -0.33 -0.87 0.00 0.00 176.83 176.33 2rbc h GLU 82 N 0.18 0.00 -0.32 4.77 5.08 -0.80 -2.91 114.58 120.58 2rbc h GLU 82 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2rbc h GLU 82 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2rbc h GLU 82 CO 0.08 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.52 2rbc n SER 83 N -2.68 2.18 0.00 1.42 7.64 -0.04 -4.91 113.62 117.22 2rbc n SER 83 Ca 0.01 -1.88 0.00 0.00 1.01 0.00 0.00 58.87 58.01 2rbc n SER 83 Cb 0.23 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 2rbc n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rbc n GLY 84 N 1.20 0.89 3.70 0.23 0.00 -1.10 -4.91 105.19 105.20 2rbc n GLY 84 Ca 0.16 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 2rbc n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rbc s ILE 85 N -2.00 5.06 -0.34 -0.61 1.01 -1.00 -4.60 121.20 118.71 2rbc s ILE 85 Ca 0.00 0.06 -0.29 0.00 0.00 0.00 0.00 60.65 60.42 2rbc s ILE 85 Cb 0.00 -3.27 -0.01 0.00 0.01 0.00 0.00 42.46 39.19 2rbc s ILE 85 CO 0.00 0.48 1.67 -0.62 0.00 0.00 0.00 174.94 176.47 2rbc s ASP 86 N 0.11 6.06 0.00 3.58 -1.08 0.05 -3.94 116.67 121.45 2rbc s ASP 86 Ca 0.07 1.19 0.21 0.00 -0.52 0.00 0.00 52.55 53.50 2rbc s ASP 86 Cb -0.12 -2.53 0.61 0.00 -1.46 0.00 0.00 42.92 39.42 2rbc s ASP 86 CO 0.00 -1.59 1.51 0.35 0.52 0.00 0.00 175.17 175.96 2rbc n THR 87 N 7.26 0.99 0.28 1.71 -2.24 -1.26 -1.92 114.28 119.10 2rbc n THR 87 Ca 0.21 -0.99 0.16 0.00 -2.27 0.00 0.00 64.05 61.15 2rbc n THR 87 Cb 0.47 0.51 0.81 0.00 -2.10 0.00 0.00 70.33 70.03 2rbc n THR 87 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2rbc h SER 88 N 4.08 0.00 -3.54 3.42 4.64 -1.89 -3.47 113.55 116.79 2rbc h SER 88 Ca 0.00 0.00 -0.78 0.00 -0.47 0.00 0.00 61.79 60.54 2rbc h SER 88 Cb 0.97 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.81 2rbc h SER 88 CO 0.00 0.07 0.02 -0.83 -0.87 0.00 0.00 176.83 175.22 2rbc s GLY 89 N -4.19 2.45 -0.03 -0.77 0.00 -1.26 -5.17 107.32 98.36 2rbc s GLY 89 Ca -0.02 -3.05 -0.01 0.00 0.00 0.00 0.00 44.72 41.64 2rbc s GLY 89 CO 0.54 1.27 0.06 -1.59 0.00 0.00 0.00 173.10 173.37 2rbc s THR 91 N 0.72 -0.04 -0.38 0.90 2.01 0.11 -4.56 115.64 114.40 2rbc s THR 91 Ca 0.14 0.13 -0.10 0.00 0.31 0.00 0.00 61.69 62.17 2rbc s THR 91 Cb -0.16 -0.11 0.04 0.00 0.01 0.00 0.00 72.50 72.28 2rbc s THR 91 CO -0.05 0.05 0.21 -0.69 -0.69 0.00 0.00 174.62 173.45 2rbc s VAL 92 N 0.71 4.37 -0.54 3.82 1.01 -1.26 -0.72 120.40 127.80 2rbc s VAL 92 Ca -0.06 -1.05 -0.23 0.00 0.00 0.00 0.00 61.98 60.64 2rbc s VAL 92 Cb -0.08 -3.51 0.04 0.00 0.00 0.00 0.00 36.38 32.83 2rbc s VAL 92 CO -0.03 -0.31 0.89 0.00 0.00 0.00 0.00 175.10 175.66 2rbc s ALA 93 N 1.50 3.20 0.32 5.51 0.00 0.61 -4.90 121.76 128.00 2rbc s ALA 93 Ca 0.02 -1.29 -0.29 0.00 0.00 0.00 0.00 51.96 50.40 2rbc s ALA 93 Cb -0.20 -3.67 -0.11 0.00 0.00 0.00 0.00 23.12 19.14 2rbc s ALA 93 CO 0.05 -2.30 1.53 -1.25 0.00 0.00 0.00 175.76 173.79 2rbc s PRO 94 N 3.72 4.14 0.00 0.00 0.04 -1.26 -1.89 135.00 139.75 2rbc s PRO 94 Ca 0.28 2.54 0.00 0.00 0.04 0.00 0.00 61.00 63.86 2rbc s PRO 94 Cb -0.13 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.39 2rbc s PRO 94 CO 0.19 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 177.07 2rbc n GLY 95 N 1.49 1.29 3.88 0.56 0.00 -1.26 -4.99 105.19 106.17 2rbc n GLY 95 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 2rbc n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rbc s ALA 96 N -2.76 3.41 -0.14 4.61 0.00 -0.79 -5.03 121.76 121.05 2rbc s ALA 96 Ca 0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 51.96 51.61 2rbc s ALA 96 Cb 0.00 -2.62 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 2rbc s ALA 96 CO 0.00 0.05 0.11 1.03 0.00 0.00 0.00 175.76 176.95 2rbc s ARG 97 N -3.77 3.64 0.53 0.00 0.52 -1.26 -3.78 118.95 114.82 2rbc s ARG 97 Ca 0.50 -0.20 -0.21 0.00 -0.52 0.00 0.00 55.73 55.30 2rbc s ARG 97 Cb -0.10 -3.21 -0.06 0.00 0.52 0.00 0.00 34.95 32.10 2rbc s ARG 97 CO 0.31 0.60 1.17 -1.12 0.02 0.00 0.00 175.30 176.28 2rbc s SER 98 N -0.52 5.71 0.31 0.23 0.01 -1.26 -4.33 113.70 113.85 2rbc s SER 98 Ca 0.12 2.30 -0.28 0.00 1.31 0.00 0.00 55.95 59.40 2rbc s SER 98 Cb -0.12 -2.60 -0.09 0.00 0.21 0.00 0.00 66.02 63.42 2rbc s SER 98 CO 0.02 -1.23 1.10 0.00 0.41 0.00 0.00 173.24 173.54 2rbc s ALA 99 N -1.63 3.34 0.02 1.44 0.00 -1.26 -4.87 121.76 118.80 2rbc s ALA 99 Ca 0.71 0.89 -0.13 0.00 0.00 0.00 0.00 51.96 53.43 2rbc s ALA 99 Cb -0.28 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.53 2rbc s ALA 99 CO 0.32 -0.21 0.26 -0.48 0.00 0.00 0.00 175.76 175.65 2rbc s LEU 100 N -1.73 1.05 0.03 0.00 0.05 -1.08 -1.55 118.68 115.45 2rbc s LEU 100 Ca 0.48 -0.13 0.02 0.00 0.05 0.00 0.00 54.13 54.54 2rbc s LEU 100 Cb -0.31 1.17 -0.02 0.00 -2.05 0.00 0.00 46.19 44.98 2rbc s LEU 100 CO 0.39 -0.52 -0.07 -0.44 -0.55 0.00 0.00 176.35 175.17 2rbc s SER 101 N -1.74 0.73 -0.15 1.48 0.01 -0.40 -0.31 113.70 113.32 2rbc s SER 101 Ca -0.09 -0.50 -0.13 0.00 1.31 0.00 0.00 55.95 56.53 2rbc s SER 101 Cb -0.03 0.04 -0.05 0.00 0.21 0.00 0.00 66.02 66.19 2rbc s SER 101 CO -0.00 -0.20 0.29 -0.89 0.41 0.00 0.00 173.24 172.85 2rbc s THR 102 N -1.29 5.30 -0.13 1.44 2.01 -0.44 -0.86 115.64 121.67 2rbc s THR 102 Ca -0.10 0.55 0.01 0.00 0.31 0.00 0.00 61.69 62.45 2rbc s THR 102 Cb -0.09 -3.62 0.02 0.00 0.01 0.00 0.00 72.50 68.82 2rbc s THR 102 CO 0.00 0.42 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.59 2rbc s ILE 103 N 0.27 1.44 -0.30 1.82 1.01 -0.04 -0.66 121.20 124.75 2rbc s ILE 103 Ca 0.17 -0.57 -0.10 0.00 0.00 0.00 0.00 60.65 60.15 2rbc s ILE 103 Cb -0.13 -1.36 -0.02 0.00 0.01 0.00 0.00 42.46 40.95 2rbc s ILE 103 CO 0.04 0.44 0.16 -0.63 0.00 0.00 0.00 174.94 174.95 2rbc s ILE 104 N 1.41 4.77 -0.28 2.92 1.01 0.01 -0.90 121.20 130.15 2rbc s ILE 104 Ca 0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.42 2rbc s ILE 104 Cb -0.13 -3.37 0.04 0.00 0.01 0.00 0.00 42.46 39.01 2rbc s ILE 104 CO -0.08 0.14 -0.02 -0.63 0.00 0.00 0.00 174.94 174.35 2rbc s ILE 105 N 1.66 2.99 0.99 2.92 1.01 -0.24 -0.88 121.20 129.64 2rbc s ILE 105 Ca 0.06 -1.19 -0.17 0.00 0.00 0.00 0.00 60.65 59.35 2rbc s ILE 105 Cb -0.17 -2.62 0.23 0.00 0.01 0.00 0.00 42.46 39.91 2rbc s ILE 105 CO 0.07 0.04 1.34 -0.90 0.00 0.00 0.00 174.94 175.49 2rbc n ASP 106 N 4.66 0.12 0.00 3.58 5.68 -0.59 -1.09 116.55 128.91 2rbc n ASP 106 Ca -0.15 -1.50 0.09 0.00 -0.50 0.00 0.00 54.79 52.73 2rbc n ASP 106 Cb 0.45 -1.02 0.51 0.00 -1.14 0.00 0.00 41.12 39.92 2rbc n ASP 106 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2rbc n ASN 107 N -3.86 0.00 -0.67 -1.12 0.23 -0.46 -1.50 115.26 107.88 2rbc n ASN 107 Ca 0.17 -1.29 0.12 0.00 -0.53 0.00 0.00 54.58 53.05 2rbc n ASN 107 Cb 0.59 0.00 0.36 0.00 -2.08 0.00 0.00 39.78 38.65 2rbc n ASN 107 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2rbc n ARG 108 N -0.79 1.90 -0.97 -3.83 1.74 -1.26 -4.94 116.66 108.50 2rbc n ARG 108 Ca 0.13 -1.34 0.00 0.00 -0.77 0.00 0.00 57.85 55.87 2rbc n ARG 108 Cb 0.06 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 2rbc n ARG 108 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2rbc n GLY 109 N 1.23 0.24 3.83 -0.13 0.00 -0.56 -5.01 105.19 104.78 2rbc n GLY 109 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 2rbc n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rbc s GLU 110 N -1.06 3.60 0.02 1.61 2.02 -1.26 -4.72 118.70 118.92 2rbc s GLU 110 Ca 0.00 1.04 0.05 0.00 0.02 0.00 0.00 54.97 56.08 2rbc s GLU 110 Cb 0.00 -2.08 -0.02 0.00 0.10 0.00 0.00 34.13 32.13 2rbc s GLU 110 CO 0.00 -0.57 -0.15 1.03 0.02 0.00 0.00 175.26 175.59 2rbc s ARG 111 N -4.23 1.06 -0.16 1.61 0.52 -1.26 -1.54 118.95 114.95 2rbc s ARG 111 Ca 0.60 -0.70 0.01 0.00 -0.52 0.00 0.00 55.73 55.12 2rbc s ARG 111 Cb -0.13 -1.07 0.01 0.00 0.52 0.00 0.00 34.95 34.28 2rbc s ARG 111 CO 0.37 0.28 -0.17 -1.17 0.02 0.00 0.00 175.30 174.62 2rbc s LEU 112 N -0.88 2.32 -0.11 2.53 2.96 -0.06 -4.97 118.68 120.46 2rbc s LEU 112 Ca 0.04 -0.55 -0.00 0.00 -0.22 0.00 0.00 54.13 53.39 2rbc s LEU 112 Cb -0.07 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.07 2rbc s LEU 112 CO 0.01 0.05 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.36 2rbc s ILE 113 N 1.02 3.43 -0.39 6.68 -1.09 -1.26 -0.81 121.20 128.78 2rbc s ILE 113 Ca -0.02 -0.55 0.01 0.00 -2.23 0.00 0.00 60.65 57.87 2rbc s ILE 113 Cb -0.15 -2.43 0.12 0.00 -1.58 0.00 0.00 42.46 38.42 2rbc s ILE 113 CO -0.05 0.54 0.18 -0.69 -1.23 0.00 0.00 174.94 173.70 2rbc s VAL 114 N -0.09 1.27 -0.11 2.92 1.01 0.16 -5.01 120.40 120.55 2rbc s VAL 114 Ca -0.00 -2.15 -0.10 0.00 0.00 0.00 0.00 61.98 59.72 2rbc s VAL 114 Cb -0.13 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 2rbc s VAL 114 CO 0.03 -0.81 0.22 -2.16 0.00 0.00 0.00 175.10 172.38 2rbc s PRO 115 N 0.81 3.78 -0.19 2.72 0.04 -1.26 -1.33 135.00 139.58 2rbc s PRO 115 Ca 0.15 0.01 -0.06 0.00 0.04 0.00 0.00 61.00 61.13 2rbc s PRO 115 Cb -0.22 -3.27 -0.03 0.00 0.04 0.00 0.00 34.50 31.02 2rbc s PRO 115 CO -0.08 0.60 0.03 0.12 0.04 0.00 0.00 177.00 177.71 2rbc s PHE 116 N -0.59 3.15 -0.06 0.56 5.36 0.57 -5.00 117.98 121.97 2rbc s PHE 116 Ca 0.16 -0.14 -0.02 0.00 -0.96 0.00 0.00 56.93 55.97 2rbc s PHE 116 Cb -0.13 -2.08 0.04 0.00 -0.34 0.00 0.00 43.02 40.51 2rbc s PHE 116 CO 0.05 -0.01 0.11 -0.47 -1.46 0.00 0.00 175.22 173.45 2rbc s TYR 117 N 0.62 -0.09 -0.40 10.12 5.04 -1.26 -2.64 117.35 128.74 2rbc s TYR 117 Ca 0.01 0.42 -0.14 0.00 -2.44 0.00 0.00 57.07 54.92 2rbc s TYR 117 Cb -0.13 -0.24 0.02 0.00 0.35 0.00 0.00 41.96 41.95 2rbc s TYR 117 CO 0.02 -0.19 0.28 0.34 -1.34 0.00 0.00 175.55 174.66 2rbc s ASP 118 N 1.70 6.05 0.60 4.32 -1.08 -1.26 -4.97 116.67 122.03 2rbc s ASP 118 Ca -0.03 -0.84 0.29 0.00 -0.52 0.00 0.00 52.55 51.45 2rbc s ASP 118 Cb -0.12 -2.14 1.54 0.00 -1.46 0.00 0.00 42.92 40.74 2rbc s ASP 118 CO -0.05 -0.41 1.95 1.12 0.52 0.00 0.00 175.17 178.30 2rbc h HIS 119 N 8.59 0.00 0.00 -5.34 2.07 -2.00 -1.05 115.15 117.42 2rbc h HIS 119 Ca -0.27 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.25 2rbc h HIS 119 Cb 1.12 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.10 2rbc h HIS 119 CO 0.57 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 175.43 2rbc h ARG 120 N 0.00 0.00 -0.95 5.12 3.08 -1.94 -1.84 114.38 117.85 2rbc h ARG 120 Ca 0.16 0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.39 2rbc h ARG 120 Cb 0.95 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.91 2rbc h ARG 120 CO -0.00 0.00 0.60 -0.07 -1.07 0.00 0.00 179.97 179.43 2rbc h LEU 121 N 0.00 0.65 -2.98 3.04 3.38 -1.50 -3.21 115.31 114.69 2rbc h LEU 121 Ca 0.00 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2rbc h LEU 121 Cb 0.04 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2rbc h LEU 121 CO 0.00 0.27 -0.40 1.41 0.09 0.00 0.00 178.44 179.81 2rbc n HIS 122 N -4.62 0.00 1.07 1.13 8.25 -0.69 -4.68 115.22 115.67 2rbc n HIS 122 Ca 0.20 -1.30 0.12 0.00 -0.26 0.00 0.00 57.72 56.48 2rbc n HIS 122 Cb 0.57 -0.22 0.12 0.00 1.12 0.00 0.00 29.99 31.59 2rbc n HIS 122 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 2rbc n GLU 123 N -1.10 0.59 -4.20 -0.41 0.28 -1.21 -4.91 120.64 109.68 2rbc n GLU 123 Ca 0.17 -0.43 -0.30 0.00 -0.16 0.00 0.00 57.16 56.44 2rbc n GLU 123 Cb 0.70 -1.49 -0.09 0.00 1.43 0.00 0.00 31.44 31.99 2rbc n GLU 123 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 2rbc s LYS 124 N -2.71 2.24 -0.01 3.44 2.20 -1.26 -5.08 119.74 118.56 2rbc s LYS 124 Ca 0.16 -0.98 -0.30 0.00 -0.36 0.00 0.00 55.97 54.49 2rbc s LYS 124 Cb 0.18 -2.37 -0.04 0.00 -1.51 0.00 0.00 37.83 34.10 2rbc s LYS 124 CO 0.65 0.51 1.10 0.15 -0.36 0.00 0.00 175.35 177.41 2rbc s LYS 125 N -2.26 4.45 -0.13 4.03 1.02 -1.26 -5.03 119.74 120.56 2rbc s LYS 125 Ca 0.23 1.58 -0.05 0.00 0.02 0.00 0.00 55.97 57.76 2rbc s LYS 125 Cb -0.11 -3.46 -0.04 0.00 -0.52 0.00 0.00 37.83 33.71 2rbc s LYS 125 CO 0.15 -0.24 0.04 0.50 -0.92 0.00 0.00 175.35 174.88 2rbc s ARG 126 N 1.43 3.43 0.41 1.68 3.00 -1.26 -5.08 118.95 122.56 2rbc s ARG 126 Ca 0.55 -0.36 -0.26 0.00 -1.00 0.00 0.00 55.73 54.66 2rbc s ARG 126 Cb -0.24 -3.00 -0.08 0.00 0.00 0.00 0.00 34.95 31.63 2rbc s ARG 126 CO 0.26 0.54 1.26 0.00 0.00 0.00 0.00 175.30 177.36 2rbc s ALA 127 N -0.39 3.21 -0.41 6.12 0.00 -1.26 -4.98 121.76 124.04 2rbc s ALA 127 Ca 0.09 1.15 0.04 0.00 0.00 0.00 0.00 51.96 53.24 2rbc s ALA 127 Cb -0.12 -3.46 0.16 0.00 0.00 0.00 0.00 23.12 19.71 2rbc s ALA 127 CO 0.02 -0.76 0.40 0.00 0.00 0.00 0.00 175.76 175.42 2rbc s THR 129 N 0.80 5.17 0.45 0.00 -4.23 -1.26 -4.97 115.64 111.59 2rbc s THR 129 Ca 0.25 -0.25 0.14 0.00 -1.18 0.00 0.00 61.69 60.65 2rbc s THR 129 Cb -0.07 -3.72 0.33 0.00 1.34 0.00 0.00 72.50 70.37 2rbc s THR 129 CO -0.09 -0.18 2.00 -0.65 -0.54 0.00 0.00 174.62 175.16 2rbc h PRO 130 N 2.01 0.35 -0.70 3.99 0.11 -1.99 -1.96 132.00 133.81 2rbc h PRO 130 Ca -0.48 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 2rbc h PRO 130 Cb 1.19 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 2rbc h PRO 130 CO 0.68 0.23 0.19 0.93 -0.21 0.00 0.00 178.00 179.82 2rbc h GLU 131 N 0.36 1.11 -0.19 1.05 5.08 -1.99 -0.37 114.58 119.62 2rbc h GLU 131 Ca 0.25 -0.26 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 2rbc h GLU 131 Cb 0.51 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 2rbc h GLU 131 CO -0.06 0.97 -0.13 -0.44 -1.00 0.00 0.00 179.01 178.35 2rbc h ASP 132 N 1.05 -0.41 1.14 1.42 3.32 -1.77 -3.22 116.42 117.96 2rbc h ASP 132 Ca 0.22 0.09 -0.11 0.00 0.02 0.00 0.00 57.03 57.25 2rbc h ASP 132 Cb 0.35 0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 2rbc h ASP 132 CO -0.00 -0.16 -0.52 0.40 -1.72 0.00 0.00 179.24 177.24 2rbc h ILE 133 N -0.12 1.00 0.00 0.35 1.08 -1.11 -3.16 117.51 115.54 2rbc h ILE 133 Ca 0.11 -2.09 0.00 0.00 -0.39 0.00 0.00 64.86 62.49 2rbc h ILE 133 Cb 0.29 2.27 0.00 0.00 -3.07 0.00 0.00 36.82 36.31 2rbc h ILE 133 CO -0.27 0.51 0.00 0.00 -0.69 0.00 0.00 178.15 177.70 2rbc h ALA 134 N 1.48 1.00 0.00 1.87 0.00 -1.07 -0.60 119.26 121.94 2rbc h ALA 134 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2rbc h ALA 134 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2rbc h ALA 134 CO 0.07 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.60 2rbc n LEU 135 N -2.61 0.36 -4.89 0.00 4.77 -1.19 -4.82 117.00 108.61 2rbc n LEU 135 Ca -0.00 0.55 -0.24 0.00 -0.03 0.00 0.00 56.01 56.29 2rbc n LEU 135 Cb 0.17 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 40.77 2rbc n LEU 135 CO 0.19 -0.20 -0.13 -0.36 -1.33 0.00 0.00 177.39 175.57 2rbc s PHE 136 N -3.08 3.32 -0.11 -1.77 0.08 -0.23 -4.92 117.98 111.26 2rbc s PHE 136 Ca 0.10 0.00 0.17 0.00 0.12 0.00 0.00 56.93 57.32 2rbc s PHE 136 Cb 0.14 -1.55 -0.21 0.00 -0.57 0.00 0.00 43.02 40.83 2rbc s PHE 136 CO 0.48 0.50 0.56 -0.25 -0.10 0.00 0.00 175.22 176.41 2rbc n ASP 137 N -0.85 0.56 -3.77 1.36 8.00 0.81 -4.98 116.55 117.69 2rbc n ASP 137 Ca -0.08 0.26 -0.10 0.00 0.71 0.00 0.00 54.79 55.58 2rbc n ASP 137 Cb 0.56 0.49 -0.04 0.00 -0.02 0.00 0.00 41.12 42.11 2rbc n ASP 137 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2rbc s ALA 138 N -2.79 -0.82 0.04 2.24 0.00 -1.17 -4.23 121.76 115.02 2rbc s ALA 138 Ca -0.06 -0.31 0.05 0.00 0.00 0.00 0.00 51.96 51.65 2rbc s ALA 138 Cb 0.08 0.85 -0.02 0.00 0.00 0.00 0.00 23.12 24.03 2rbc s ALA 138 CO 0.83 -0.79 -0.14 0.14 0.00 0.00 0.00 175.76 175.80 2rbc s VAL 139 N -3.89 1.14 -0.06 0.00 -7.23 -0.69 -2.01 120.40 107.66 2rbc s VAL 139 Ca 0.10 -1.04 0.02 0.00 -1.81 0.00 0.00 61.98 59.25 2rbc s VAL 139 Cb -0.00 -1.04 0.01 0.00 0.56 0.00 0.00 36.38 35.91 2rbc s VAL 139 CO -0.02 -0.01 -0.10 -0.22 -0.31 0.00 0.00 175.10 174.44 2rbc s LEU 140 N -1.20 1.58 0.02 1.32 2.96 0.12 -1.12 118.68 122.36 2rbc s LEU 140 Ca 0.02 -0.26 0.05 0.00 -0.22 0.00 0.00 54.13 53.72 2rbc s LEU 140 Cb -0.08 -0.73 -0.02 0.00 0.50 0.00 0.00 46.19 45.86 2rbc s LEU 140 CO 0.01 0.02 -0.16 0.68 -1.32 0.00 0.00 176.35 175.58 2rbc s VAL 141 N 0.70 1.23 0.53 1.68 -7.23 -0.23 -0.64 120.40 116.45 2rbc s VAL 141 Ca -0.14 -0.89 0.07 0.00 -1.81 0.00 0.00 61.98 59.21 2rbc s VAL 141 Cb -0.15 -1.07 0.09 0.00 0.56 0.00 0.00 36.38 35.81 2rbc s VAL 141 CO 0.03 0.17 0.74 -0.90 -0.31 0.00 0.00 175.10 174.83 2rbc n ASP 142 N 2.21 1.70 -0.48 4.85 5.68 -0.42 -1.10 116.55 129.00 2rbc n ASP 142 Ca -0.16 -2.27 0.11 0.00 -0.50 0.00 0.00 54.79 51.97 2rbc n ASP 142 Cb 0.55 -0.41 0.42 0.00 -1.14 0.00 0.00 41.12 40.53 2rbc n ASP 142 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 2rbc n VAL 143 N -2.23 0.16 0.08 2.12 0.24 -1.26 -4.41 118.33 113.04 2rbc n VAL 143 Ca 0.14 -0.30 -0.11 0.00 -2.04 0.00 0.00 64.34 62.04 2rbc n VAL 143 Cb 0.52 0.30 -0.10 0.00 -1.47 0.00 0.00 33.84 33.09 2rbc n VAL 143 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 2rbc h ARG 144 N 1.96 0.14 -2.30 7.34 9.65 -1.95 -3.36 114.38 125.87 2rbc h ARG 144 Ca 0.00 -0.23 -0.59 0.00 -1.10 0.00 0.00 59.98 58.06 2rbc h ARG 144 Cb 0.43 0.08 -0.41 0.00 -1.39 0.00 0.00 29.97 28.68 2rbc h ARG 144 CO 0.00 1.08 -0.73 1.87 2.80 0.00 0.00 179.97 184.99 2rbc n TRP 145 N -3.48 2.39 -0.24 2.20 -0.00 -1.26 -4.98 117.44 112.07 2rbc n TRP 145 Ca -0.04 -3.99 -0.01 0.00 -0.00 0.00 0.00 57.50 53.46 2rbc n TRP 145 Cb 0.95 -0.47 0.20 0.00 -0.00 0.00 0.00 31.31 31.99 2rbc n TRP 145 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 2rbc h PRO 146 N 4.41 1.05 0.02 5.87 0.11 -1.86 0.17 132.00 141.77 2rbc h PRO 146 Ca 0.17 -0.09 0.01 0.00 0.11 0.00 0.00 66.00 66.20 2rbc h PRO 146 Cb 0.74 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 2rbc h PRO 146 CO 0.70 0.73 -0.07 1.49 -0.21 0.00 0.00 178.00 180.65 2rbc h GLU 147 N 1.07 -0.13 -0.34 1.05 4.81 -1.94 -0.02 114.58 119.08 2rbc h GLU 147 Ca 0.28 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.43 2rbc h GLU 147 Cb -0.04 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 2rbc h GLU 147 CO -0.05 -0.09 -0.13 1.25 -0.73 0.00 0.00 179.01 179.27 2rbc h LEU 148 N -0.13 0.70 -0.68 1.64 5.85 -1.83 -3.02 115.31 117.83 2rbc h LEU 148 Ca 0.02 -0.39 0.08 0.00 0.84 0.00 0.00 57.88 58.43 2rbc h LEU 148 Cb 0.16 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 40.93 2rbc h LEU 148 CO -0.06 0.93 0.35 0.00 -0.34 0.00 0.00 178.44 179.33 2rbc h ALA 149 N 0.80 0.93 -0.56 1.25 0.00 -0.80 0.05 119.26 120.92 2rbc h ALA 149 Ca 0.08 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.06 2rbc h ALA 149 Cb 0.65 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2rbc h ALA 149 CO 0.04 -0.02 0.34 1.25 0.00 0.00 0.00 179.25 180.86 2rbc h LEU 150 N 0.62 0.54 -0.39 0.00 5.85 -0.95 -1.20 115.31 119.78 2rbc h LEU 150 Ca 0.33 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.97 2rbc h LEU 150 Cb 0.30 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2rbc h LEU 150 CO -0.24 0.38 -0.08 0.44 -0.34 0.00 0.00 178.44 178.60 2rbc h ASP 151 N 0.66 0.75 -0.46 1.25 3.32 -1.20 -1.68 116.42 119.06 2rbc h ASP 151 Ca 0.23 -0.36 -0.04 0.00 0.02 0.00 0.00 57.03 56.88 2rbc h ASP 151 Cb 0.03 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 2rbc h ASP 151 CO -0.10 0.93 0.13 0.58 -1.72 0.00 0.00 179.24 179.05 2rbc h VAL 152 N 0.56 1.23 -0.17 -1.35 2.07 -0.77 -1.25 116.25 116.57 2rbc h VAL 152 Ca 0.10 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.83 2rbc h VAL 152 Cb 0.60 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2rbc h VAL 152 CO 0.04 0.28 0.10 -0.07 0.02 0.00 0.00 177.57 177.94 2rbc h LEU 153 N 0.62 0.20 -0.02 2.57 3.38 -1.18 -0.99 115.31 119.88 2rbc h LEU 153 Ca 0.15 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.10 2rbc h LEU 153 Cb 0.30 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2rbc h LEU 153 CO -0.00 0.17 -0.04 0.74 0.09 0.00 0.00 178.44 179.40 2rbc h THR 154 N 0.21 0.89 -0.31 0.22 2.02 -1.17 -1.28 112.91 113.49 2rbc h THR 154 Ca 0.06 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.19 2rbc h THR 154 Cb 0.00 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 2rbc h THR 154 CO -0.01 0.00 -0.01 0.58 0.37 0.00 0.00 175.52 176.45 2rbc h VAL 155 N -0.06 1.26 -0.46 3.16 2.07 -1.21 -1.63 116.25 119.38 2rbc h VAL 155 Ca 0.02 -0.96 0.02 0.00 0.82 0.00 0.00 66.70 66.61 2rbc h VAL 155 Cb 0.09 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 2rbc h VAL 155 CO -0.06 0.31 0.27 0.00 0.02 0.00 0.00 177.57 178.11 2rbc h ALA 156 N 0.84 0.59 -0.60 1.67 0.00 -1.07 -1.14 119.26 119.54 2rbc h ALA 156 Ca 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2rbc h ALA 156 Cb 0.45 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2rbc h ALA 156 CO 0.02 -0.05 0.27 -0.09 0.00 0.00 0.00 179.25 179.40 2rbc h ARG 157 N 0.54 0.87 -0.45 0.00 2.43 -1.12 -0.89 114.38 115.76 2rbc h ARG 157 Ca 0.19 -0.14 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 2rbc h ARG 157 Cb 0.03 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 2rbc h ARG 157 CO -0.09 0.72 0.30 0.00 -1.51 0.00 0.00 179.97 179.39 2rbc h ALA 158 N 1.11 1.79 -0.03 2.80 0.00 -0.68 -1.39 119.26 122.87 2rbc h ALA 158 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2rbc h ALA 158 Cb 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2rbc h ALA 158 CO -0.02 0.16 0.00 1.28 0.00 0.00 0.00 179.25 180.66 2rbc n LEU 159 N -4.48 0.63 0.00 0.00 4.77 -0.49 -4.91 117.00 112.52 2rbc n LEU 159 Ca 0.05 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 2rbc n LEU 159 Cb 0.14 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2rbc n LEU 159 CO 0.35 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2rbc n GLY 160 N 1.01 0.58 3.91 -0.72 0.00 -0.52 -5.05 105.19 104.40 2rbc n GLY 160 Ca 0.19 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 2rbc n GLY 160 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rbc s LYS 161 N -0.87 3.35 0.24 1.61 1.02 -0.41 -5.01 119.74 119.66 2rbc s LYS 161 Ca 0.00 -0.55 -0.31 0.00 0.02 0.00 0.00 55.97 55.13 2rbc s LYS 161 Cb 0.00 -2.96 -0.12 0.00 -0.52 0.00 0.00 37.83 34.24 2rbc s LYS 161 CO 0.00 0.56 1.67 -2.14 -0.92 0.00 0.00 175.35 174.53 2rbc s PRO 162 N -2.81 4.12 -0.39 -1.68 0.02 -1.26 -4.13 135.00 128.87 2rbc s PRO 162 Ca 0.34 2.60 0.02 0.00 0.02 0.00 0.00 61.00 63.98 2rbc s PRO 162 Cb -0.12 -3.05 0.12 0.00 0.02 0.00 0.00 34.50 31.46 2rbc s PRO 162 CO 0.27 -0.71 0.15 0.00 -0.33 0.00 0.00 177.00 176.39 2rbc s ALA 163 N 0.71 2.42 -0.17 -1.55 0.00 -1.26 -1.71 121.76 120.20 2rbc s ALA 163 Ca 0.70 -2.47 -0.06 0.00 0.00 0.00 0.00 51.96 50.13 2rbc s ALA 163 Cb -0.49 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 2rbc s ALA 163 CO 0.38 -1.85 0.03 0.42 0.00 0.00 0.00 175.76 174.75 2rbc s ILE 164 N 0.71 4.53 -0.23 0.00 1.01 -0.28 -0.84 121.20 126.11 2rbc s ILE 164 Ca 0.14 -0.13 -0.07 0.00 0.00 0.00 0.00 60.65 60.59 2rbc s ILE 164 Cb -0.21 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 2rbc s ILE 164 CO -0.09 0.48 0.06 -0.22 0.00 0.00 0.00 174.94 175.17 2rbc s LEU 165 N 0.32 3.52 -0.68 2.97 2.96 -0.12 -1.07 118.68 126.58 2rbc s LEU 165 Ca 0.01 -0.14 -0.27 0.00 -0.22 0.00 0.00 54.13 53.52 2rbc s LEU 165 Cb -0.13 -1.93 0.03 0.00 0.50 0.00 0.00 46.19 44.67 2rbc s LEU 165 CO 0.01 0.02 1.21 -0.62 -1.32 0.00 0.00 176.35 175.65 2rbc s ASP 166 N 1.27 6.24 -1.16 3.68 2.15 -0.26 -1.24 116.67 127.35 2rbc s ASP 166 Ca 0.05 -0.37 -0.10 0.00 0.43 0.00 0.00 52.55 52.56 2rbc s ASP 166 Cb -0.15 -2.54 0.24 0.00 -0.30 0.00 0.00 42.92 40.18 2rbc s ASP 166 CO 0.03 -1.68 1.30 0.61 -0.17 0.00 0.00 175.17 175.27 2rbc n GLY 167 N 5.28 4.04 4.02 2.66 0.00 -0.23 -4.11 105.19 116.87 2rbc n GLY 167 Ca 0.04 -2.37 -0.21 0.00 0.00 0.00 0.00 46.02 43.48 2rbc n GLY 167 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2rbc s ASP 168 N 1.54 4.89 0.21 1.61 -1.08 -1.26 -2.02 116.67 120.56 2rbc s ASP 168 Ca 0.36 -0.73 -0.32 0.00 -0.52 0.00 0.00 52.55 51.33 2rbc s ASP 168 Cb -0.05 0.23 -0.13 0.00 -1.46 0.00 0.00 42.92 41.51 2rbc s ASP 168 CO -0.03 -1.49 1.61 0.52 0.52 0.00 0.00 175.17 176.30 2rbc n VAL 169 N -2.40 0.31 -3.72 1.11 0.31 -1.26 -4.84 118.33 107.84 2rbc n VAL 169 Ca 0.16 -0.08 -0.03 0.00 -0.01 0.00 0.00 64.34 64.38 2rbc n VAL 169 Cb 0.61 -1.75 -0.01 0.00 -0.91 0.00 0.00 33.84 31.78 2rbc n VAL 169 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2rbc s ALA 170 N 0.70 -1.75 0.44 3.52 0.00 -1.26 -4.98 121.76 118.44 2rbc s ALA 170 Ca 0.73 0.27 -0.24 0.00 0.00 0.00 0.00 51.96 52.72 2rbc s ALA 170 Cb -0.59 0.58 -0.10 0.00 0.00 0.00 0.00 23.12 23.02 2rbc s ALA 170 CO 0.39 -1.02 1.06 -2.30 0.00 0.00 0.00 175.76 173.90 2rbc n PRO 171 N -0.46 1.43 -0.13 0.00 -0.02 -1.26 -4.81 135.00 129.75 2rbc n PRO 171 Ca -0.06 0.51 0.05 0.00 -2.02 0.00 0.00 63.50 61.97 2rbc n PRO 171 Cb 0.61 -2.13 0.36 0.00 -0.02 0.00 0.00 33.50 32.32 2rbc n PRO 171 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2rbc h VAL 172 N 1.55 1.08 0.00 -1.45 -1.51 -1.99 -0.75 116.25 113.17 2rbc h VAL 172 Ca -0.46 -0.25 -0.01 0.00 -1.23 0.00 0.00 66.70 64.75 2rbc h VAL 172 Cb 1.33 0.28 -0.00 0.00 -2.13 0.00 0.00 31.29 30.77 2rbc h VAL 172 CO 0.57 0.13 -0.07 -0.33 -1.23 0.00 0.00 177.57 176.64 2rbc h GLU 173 N 0.74 0.00 -0.01 5.19 5.08 -1.97 0.85 114.58 124.45 2rbc h GLU 173 Ca 0.25 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2rbc h GLU 173 Cb 0.09 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 2rbc h GLU 173 CO -0.07 0.07 -0.01 1.15 -1.00 0.00 0.00 179.01 179.15 2rbc h THR 174 N 0.00 1.37 -0.61 1.13 2.02 -1.50 -1.52 112.91 113.80 2rbc h THR 174 Ca -0.00 -1.11 0.03 0.00 0.77 0.00 0.00 66.41 66.10 2rbc h THR 174 Cb 0.76 2.09 -0.04 0.00 -1.74 0.00 0.00 68.15 69.22 2rbc h THR 174 CO 0.01 0.29 0.37 -0.07 0.37 0.00 0.00 175.52 176.49 2rbc h LEU 175 N -0.43 0.60 -1.09 2.58 3.38 -1.26 -1.68 115.31 117.42 2rbc h LEU 175 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2rbc h LEU 175 Cb 0.48 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2rbc h LEU 175 CO 0.00 0.42 -0.44 -0.33 0.09 0.00 0.00 178.44 178.18 2rbc h GLU 176 N 0.73 0.00 -0.11 1.13 5.08 -0.88 -1.24 114.58 119.30 2rbc h GLU 176 Ca 0.25 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.43 2rbc h GLU 176 Cb 0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2rbc h GLU 176 CO -0.11 0.44 -0.67 0.78 -1.00 0.00 0.00 179.01 178.45 2rbc h GLY 177 N 1.47 0.50 0.90 -3.84 0.00 -0.78 -3.37 103.07 97.95 2rbc h GLY 177 Ca -0.00 -0.65 -0.34 0.00 0.00 0.00 0.00 47.33 46.34 2rbc h GLY 177 CO 0.06 0.58 -1.78 1.41 0.00 0.00 0.00 176.54 176.81 2rbc h LEU 178 N 0.32 0.40 -0.75 3.11 3.38 -1.09 -3.39 115.31 117.30 2rbc h LEU 178 Ca -0.02 -0.72 0.15 0.00 0.09 0.00 0.00 57.88 57.39 2rbc h LEU 178 Cb 1.23 -0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.74 2rbc h LEU 178 CO 0.12 1.62 0.25 0.00 0.09 0.00 0.00 178.44 180.52 2rbc h ALA 179 N 0.32 1.02 0.00 1.53 0.00 -1.38 -1.81 119.26 118.94 2rbc h ALA 179 Ca -0.34 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2rbc h ALA 179 Cb 2.04 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.99 2rbc h ALA 179 CO 0.13 -0.28 0.00 -1.35 0.00 0.00 0.00 179.25 177.75 2rbc h PRO 180 N 0.36 0.00 0.00 0.00 0.11 -1.76 -2.77 132.00 127.94 2rbc h PRO 180 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 2rbc h PRO 180 Cb 0.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.80 2rbc h PRO 180 CO -0.46 0.00 -0.37 0.00 -0.21 0.00 0.00 178.00 176.96 2rbc n ALA 181 N -1.98 2.76 -2.46 -0.75 0.00 -0.68 -4.95 120.51 112.45 2rbc n ALA 181 Ca -0.01 -0.18 -0.30 0.00 0.00 0.00 0.00 53.44 52.95 2rbc n ALA 181 Cb 0.15 -1.28 -0.04 0.00 0.00 0.00 0.00 19.45 18.28 2rbc n ALA 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rbc s ALA 182 N -3.11 3.59 -0.17 0.00 0.00 -1.05 -4.31 121.76 116.71 2rbc s ALA 182 Ca 0.09 -0.45 0.19 0.00 0.00 0.00 0.00 51.96 51.79 2rbc s ALA 182 Cb 0.14 -2.37 -0.08 0.00 0.00 0.00 0.00 23.12 20.81 2rbc s ALA 182 CO 0.67 0.29 0.91 0.25 0.00 0.00 0.00 175.76 177.88 2rbc n THR 183 N -0.75 0.94 -3.77 0.00 -2.24 -0.02 -4.89 114.28 103.56 2rbc n THR 183 Ca -0.01 -0.63 -0.13 0.00 -2.27 0.00 0.00 64.05 61.01 2rbc n THR 183 Cb 0.53 -0.56 -0.14 0.00 -2.10 0.00 0.00 70.33 68.06 2rbc n THR 183 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2rbc s HIS 184 N -3.12 -0.14 -0.05 4.78 3.76 -1.08 -1.79 115.29 117.65 2rbc s HIS 184 Ca -0.02 0.42 0.03 0.00 -0.15 0.00 0.00 55.06 55.35 2rbc s HIS 184 Cb 0.09 -0.07 0.00 0.00 1.11 0.00 0.00 32.58 33.71 2rbc s HIS 184 CO 0.80 -0.14 -0.15 0.42 -0.85 0.00 0.00 174.74 174.82 2rbc s ILE 185 N 0.94 1.34 -0.32 0.60 1.01 0.72 -0.94 121.20 124.55 2rbc s ILE 185 Ca -0.07 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 59.95 2rbc s ILE 185 Cb -0.09 -1.17 0.08 0.00 0.01 0.00 0.00 42.46 41.28 2rbc s ILE 185 CO -0.05 0.39 0.02 -0.69 0.00 0.00 0.00 174.94 174.61 2rbc s VAL 186 N 0.27 2.58 0.21 2.92 1.01 -0.38 -0.75 120.40 126.26 2rbc s VAL 186 Ca -0.08 -1.86 -0.16 0.00 0.00 0.00 0.00 61.98 59.88 2rbc s VAL 186 Cb -0.13 -2.67 -0.08 0.00 0.00 0.00 0.00 36.38 33.50 2rbc s VAL 186 CO 0.03 -0.33 0.65 -0.36 0.00 0.00 0.00 175.10 175.09 2rbc s PHE 187 N 1.08 3.57 0.57 5.22 0.08 0.32 -1.06 117.98 127.77 2rbc s PHE 187 Ca 0.01 1.20 -0.13 0.00 0.12 0.00 0.00 56.93 58.12 2rbc s PHE 187 Cb -0.20 -2.48 -0.06 0.00 -0.57 0.00 0.00 43.02 39.71 2rbc s PHE 187 CO -0.05 0.33 1.01 -1.54 -0.10 0.00 0.00 175.22 174.87 2rbc s SER 188 N -1.84 6.40 0.17 1.36 1.04 -0.86 -1.06 113.70 118.92 2rbc s SER 188 Ca 0.43 1.48 -0.16 0.00 0.48 0.00 0.00 55.95 58.19 2rbc s SER 188 Cb -0.15 -2.49 0.11 0.00 0.10 0.00 0.00 66.02 63.60 2rbc s SER 188 CO 0.20 -0.75 1.69 -0.08 0.98 0.00 0.00 173.24 175.29 2rbc h GLU 189 N 0.22 0.09 -0.75 4.02 4.81 -1.78 -1.79 114.58 119.40 2rbc h GLU 189 Ca -0.45 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 58.80 2rbc h GLU 189 Cb 1.19 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 2rbc h GLU 189 CO 0.62 0.06 0.50 -1.35 -0.73 0.00 0.00 179.01 178.11 2rbc h PRO 190 N 0.09 0.92 -0.25 0.92 0.11 -1.94 0.09 132.00 131.95 2rbc h PRO 190 Ca 0.20 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.20 2rbc h PRO 190 Cb 0.28 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 2rbc h PRO 190 CO -0.34 0.61 -0.04 0.00 -0.21 0.00 0.00 178.00 178.02 2rbc h ALA 191 N 1.55 0.34 -0.57 -0.75 0.00 -1.71 -2.11 119.26 116.02 2rbc h ALA 191 Ca 0.29 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2rbc h ALA 191 Cb 0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2rbc h ALA 191 CO -0.08 0.11 0.18 0.00 0.00 0.00 0.00 179.25 179.47 2rbc h ALA 192 N 0.78 1.26 -0.29 0.00 0.00 -1.11 -0.64 119.26 119.27 2rbc h ALA 192 Ca 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2rbc h ALA 192 Cb 0.49 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2rbc h ALA 192 CO 0.02 0.53 0.19 1.15 0.00 0.00 0.00 179.25 181.14 2rbc h THR 193 N 0.82 1.08 -0.51 0.00 2.02 -0.87 -1.32 112.91 114.13 2rbc h THR 193 Ca 0.19 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 67.15 2rbc h THR 193 Cb 0.23 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 2rbc h THR 193 CO -0.01 0.07 0.04 -0.09 0.37 0.00 0.00 175.52 175.91 2rbc h ARG 194 N 0.38 0.87 -0.57 6.66 2.43 -0.86 0.25 114.38 123.55 2rbc h ARG 194 Ca 0.10 -0.25 -0.06 0.00 -0.81 0.00 0.00 59.98 58.96 2rbc h ARG 194 Cb -0.04 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 2rbc h ARG 194 CO -0.02 0.88 0.10 -0.07 -1.51 0.00 0.00 179.97 179.35 2rbc h LEU 195 N 0.74 0.90 0.00 3.80 3.38 -0.94 -3.28 115.31 119.91 2rbc h LEU 195 Ca 0.15 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 2rbc h LEU 195 Cb 0.46 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2rbc h LEU 195 CO 0.02 0.92 -1.72 0.35 0.09 0.00 0.00 178.44 178.10 2rbc n THR 196 N -4.34 0.60 -1.43 0.22 -2.24 -0.51 -4.97 114.28 101.59 2rbc n THR 196 Ca 0.03 -0.61 -0.14 0.00 -2.27 0.00 0.00 64.05 61.06 2rbc n THR 196 Cb 0.26 -0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 68.14 2rbc n THR 196 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rbc n GLY 197 N 1.35 1.37 3.87 3.38 0.00 0.86 -5.02 105.19 111.00 2rbc n GLY 197 Ca -0.09 -0.38 -0.21 0.00 0.00 0.00 0.00 46.02 45.34 2rbc n GLY 197 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rbc s LEU 198 N -3.15 3.48 -0.23 0.99 1.43 -1.24 -5.05 118.68 114.92 2rbc s LEU 198 Ca 0.00 -0.64 0.03 0.00 -1.03 0.00 0.00 54.13 52.49 2rbc s LEU 198 Cb 0.00 -2.13 -0.16 0.00 0.03 0.00 0.00 46.19 43.93 2rbc s LEU 198 CO 0.00 -0.54 -0.18 1.21 0.23 0.00 0.00 176.35 177.07 2rbc n GLU 199 N -1.49 0.64 -4.12 1.70 2.13 -1.26 -4.61 120.64 113.63 2rbc n GLU 199 Ca 0.02 0.12 -0.34 0.00 0.66 0.00 0.00 57.16 57.61 2rbc n GLU 199 Cb 0.61 -1.47 -0.10 0.00 0.27 0.00 0.00 31.44 30.75 2rbc n GLU 199 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2rbc s THR 200 N -2.47 4.57 0.21 6.31 2.01 -1.26 -5.01 115.64 120.01 2rbc s THR 200 Ca -0.29 -0.12 -0.09 0.00 0.31 0.00 0.00 61.69 61.50 2rbc s THR 200 Cb 0.08 -3.04 0.16 0.00 0.01 0.00 0.00 72.50 69.71 2rbc s THR 200 CO 0.57 0.49 1.86 0.58 -0.69 0.00 0.00 174.62 177.42 2rbc h VAL 201 N 4.84 1.11 0.00 3.82 2.07 -1.98 -1.12 116.25 124.99 2rbc h VAL 201 Ca -0.37 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 2rbc h VAL 201 Cb 1.18 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2rbc h VAL 201 CO 0.67 0.17 -0.00 0.07 0.02 0.00 0.00 177.57 178.50 2rbc h LYS 202 N 0.92 0.00 -2.06 1.57 2.10 -1.98 -3.19 116.57 113.92 2rbc h LYS 202 Ca 0.30 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.90 2rbc h LYS 202 Cb 0.01 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.33 2rbc h LYS 202 CO -0.11 0.00 -0.06 -0.25 -2.00 0.00 0.00 179.45 177.03 2rbc n ASP 203 N -4.51 4.26 0.00 7.07 8.00 -0.43 -4.35 116.55 126.60 2rbc n ASP 203 Ca -0.03 -2.17 0.00 0.00 0.71 0.00 0.00 54.79 53.30 2rbc n ASP 203 Cb 0.09 -0.97 0.00 0.00 -0.02 0.00 0.00 41.12 40.22 2rbc n ASP 203 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2rbc n LEU 205 N 1.89 0.00 -0.34 0.64 7.99 -1.21 -4.32 117.00 121.65 2rbc n LEU 205 Ca 0.10 0.00 0.06 0.00 -0.01 0.00 0.00 56.01 56.16 2rbc n LEU 205 Cb 0.50 0.00 0.22 0.00 -0.11 0.00 0.00 43.42 44.03 2rbc n LEU 205 CO 0.04 0.00 1.20 -0.65 -1.51 0.00 0.00 177.39 176.47 2rbc h PRO 206 N 0.00 0.89 -0.08 3.23 0.11 -1.91 0.37 132.00 134.60 2rbc h PRO 206 Ca 0.00 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 65.87 2rbc h PRO 206 Cb 0.00 -0.20 0.01 0.00 0.11 0.00 0.00 31.00 30.92 2rbc h PRO 206 CO 0.00 0.59 -0.67 0.28 -0.21 0.00 0.00 178.00 177.99 2rbc h VAL 207 N 0.91 1.34 -0.28 3.15 2.07 -1.95 -2.48 116.25 119.01 2rbc h VAL 207 Ca 0.47 -1.97 -0.15 0.00 0.82 0.00 0.00 66.70 65.88 2rbc h VAL 207 Cb 0.47 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 2rbc h VAL 207 CO -0.27 0.60 -0.42 -0.07 0.02 0.00 0.00 177.57 177.43 2rbc h LEU 208 N 0.23 0.73 -0.39 2.57 3.38 -1.87 -1.40 115.31 118.57 2rbc h LEU 208 Ca -0.06 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 2rbc h LEU 208 Cb 1.32 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 2rbc h LEU 208 CO 0.14 1.06 0.21 -0.74 0.09 0.00 0.00 178.44 179.20 2rbc h HIS 209 N 0.56 0.54 -0.74 1.13 2.76 -0.95 -2.13 115.15 116.31 2rbc h HIS 209 Ca 0.04 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.17 2rbc h HIS 209 Cb 0.96 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.71 2rbc h HIS 209 CO 0.05 0.41 0.35 0.00 -1.30 0.00 0.00 177.93 177.44 2rbc h ALA 210 N 1.07 1.23 -0.29 5.26 0.00 -1.14 -0.01 119.26 125.38 2rbc h ALA 210 Ca 0.14 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 2rbc h ALA 210 Cb 0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2rbc h ALA 210 CO -0.02 0.59 -0.31 0.00 0.00 0.00 0.00 179.25 179.51 2rbc h ARG 211 N 1.05 0.61 -2.10 0.00 3.08 -1.11 -3.36 114.38 112.55 2rbc h ARG 211 Ca 0.26 -0.27 -0.53 0.00 0.07 0.00 0.00 59.98 59.51 2rbc h ARG 211 Cb 0.11 -0.02 -0.41 0.00 0.08 0.00 0.00 29.97 29.73 2rbc h ARG 211 CO -0.03 0.84 -0.94 0.66 -1.07 0.00 0.00 179.97 179.43 2rbc n TYR 212 N -4.08 1.97 0.31 3.04 4.01 -0.82 -4.98 117.16 116.62 2rbc n TYR 212 Ca -0.01 -3.87 0.17 0.00 -0.16 0.00 0.00 57.90 54.03 2rbc n TYR 212 Cb 0.46 -0.44 0.73 0.00 -0.31 0.00 0.00 39.34 39.78 2rbc n TYR 212 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2rbc h PRO 213 N 2.98 0.00 -0.63 -0.72 0.13 -1.16 -1.81 132.00 130.80 2rbc h PRO 213 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2rbc h PRO 213 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2rbc h PRO 213 CO 0.65 0.00 0.00 0.94 -0.23 0.00 0.00 178.00 179.36 2rbc n GLN 214 N -2.85 2.77 -5.09 0.86 7.27 -1.26 -0.24 117.38 118.85 2rbc n GLN 214 Ca 0.00 -2.30 -0.32 0.00 0.07 0.00 0.00 57.00 54.45 2rbc n GLN 214 Cb 0.23 -1.60 -0.15 0.00 2.41 0.00 0.00 30.24 31.13 2rbc n GLN 214 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2rbc s THR 215 N -1.42 2.55 0.04 1.69 2.01 -0.68 -4.65 115.64 115.18 2rbc s THR 215 Ca 0.42 -0.91 -0.30 0.00 0.31 0.00 0.00 61.69 61.21 2rbc s THR 215 Cb 0.24 -1.96 -0.08 0.00 0.01 0.00 0.00 72.50 70.71 2rbc s THR 215 CO 0.25 0.58 1.72 0.12 -0.69 0.00 0.00 174.62 176.60 2rbc s PHE 216 N -0.48 2.09 -0.12 4.92 2.19 -0.74 -3.80 117.98 122.04 2rbc s PHE 216 Ca 0.06 0.12 0.01 0.00 0.33 0.00 0.00 56.93 57.45 2rbc s PHE 216 Cb -0.12 -4.02 0.02 0.00 -1.31 0.00 0.00 43.02 37.59 2rbc s PHE 216 CO 0.01 -4.24 -0.13 0.42 1.83 0.00 0.00 175.22 173.10 2rbc s ILE 217 N 3.31 1.40 0.08 3.12 -1.09 -0.53 -0.20 121.20 127.29 2rbc s ILE 217 Ca 0.77 -0.56 0.09 0.00 -2.23 0.00 0.00 60.65 58.72 2rbc s ILE 217 Cb -0.39 -1.31 -0.03 0.00 -1.58 0.00 0.00 42.46 39.15 2rbc s ILE 217 CO 0.34 0.43 -0.24 0.00 -1.23 0.00 0.00 174.94 174.23 2rbc s ALA 218 N 1.21 2.09 -0.13 9.38 0.00 0.07 -0.59 121.76 133.79 2rbc s ALA 218 Ca -0.02 -1.27 0.01 0.00 0.00 0.00 0.00 51.96 50.68 2rbc s ALA 218 Cb -0.14 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.62 2rbc s ALA 218 CO -0.05 0.47 -0.16 0.08 0.00 0.00 0.00 175.76 176.10 2rbc s VAL 219 N -0.95 1.64 0.19 0.00 1.01 0.06 -0.52 120.40 121.84 2rbc s VAL 219 Ca 0.10 -0.71 -0.12 0.00 0.00 0.00 0.00 61.98 61.26 2rbc s VAL 219 Cb -0.10 -1.50 -0.07 0.00 0.00 0.00 0.00 36.38 34.71 2rbc s VAL 219 CO 0.04 0.47 0.55 0.42 0.00 0.00 0.00 175.10 176.57 2rbc s THR 220 N 1.14 4.90 -0.11 3.92 -4.23 -0.22 -1.92 115.64 119.12 2rbc s THR 220 Ca -0.02 0.64 0.20 0.00 -1.18 0.00 0.00 61.69 61.34 2rbc s THR 220 Cb -0.14 -3.67 0.44 0.00 1.34 0.00 0.00 72.50 70.47 2rbc s THR 220 CO -0.05 0.08 1.18 0.00 -0.54 0.00 0.00 174.62 175.29 2rbc n ALA 221 N 0.32 2.92 -0.61 3.99 0.00 0.12 -2.09 120.51 125.16 2rbc n ALA 221 Ca -0.02 -2.76 0.00 0.00 0.00 0.00 0.00 53.44 50.66 2rbc n ALA 221 Cb 0.52 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.34 2rbc n ALA 221 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rbc n GLY 222 N -0.16 3.35 0.06 0.00 0.00 -1.26 -1.54 105.19 105.65 2rbc n GLY 222 Ca 0.12 0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.30 2rbc n GLY 222 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2rbc n PRO 223 N 14.00 0.07 0.00 1.61 -0.04 -1.26 -1.77 135.00 147.62 2rbc n PRO 223 Ca 0.00 0.43 0.14 0.00 -0.04 0.00 0.00 63.50 64.03 2rbc n PRO 223 Cb 0.00 -1.68 0.60 0.00 -0.04 0.00 0.00 33.50 32.39 2rbc n PRO 223 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2rbc n ALA 224 N -1.62 2.75 0.00 0.55 0.00 -0.59 -4.60 120.51 117.01 2rbc n ALA 224 Ca 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2rbc n ALA 224 Cb 0.11 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.22 2rbc n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rbc n GLY 225 N 1.31 -0.67 3.03 0.00 0.00 -0.73 -4.82 105.19 103.31 2rbc n GLY 225 Ca 0.13 -1.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.05 2rbc n GLY 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rbc s TRP 227 N 1.63 3.17 0.14 0.00 0.51 -0.81 -1.06 118.94 122.53 2rbc s TRP 227 Ca -0.06 0.19 -0.14 0.00 -2.12 0.00 0.00 56.10 53.96 2rbc s TRP 227 Cb -0.11 -1.76 0.02 0.00 -0.81 0.00 0.00 33.47 30.81 2rbc s TRP 227 CO -0.08 0.49 0.38 1.67 -0.51 0.00 0.00 176.95 178.90 2rbc s TRP 228 N -0.97 -0.05 -0.02 -1.98 -2.14 0.15 -0.76 118.94 113.18 2rbc s TRP 228 Ca 0.16 -0.30 0.05 0.00 2.66 0.00 0.00 56.10 58.66 2rbc s TRP 228 Cb -0.11 0.20 -0.01 0.00 -3.10 0.00 0.00 33.47 30.45 2rbc s TRP 228 CO 0.05 -0.73 -0.15 0.95 -2.66 0.00 0.00 176.95 174.41 2rbc s THR 229 N -3.85 1.24 0.67 0.66 -4.23 0.24 -0.00 115.64 110.37 2rbc s THR 229 Ca 0.07 -0.66 -0.11 0.00 -1.18 0.00 0.00 61.69 59.81 2rbc s THR 229 Cb 0.02 -1.04 -0.01 0.00 1.34 0.00 0.00 72.50 72.80 2rbc s THR 229 CO -0.08 0.35 1.05 -1.61 -0.54 0.00 0.00 174.62 173.79 2rbc s GLU 230 N -0.25 3.20 0.37 3.99 0.41 -1.26 -1.45 118.70 123.71 2rbc s GLU 230 Ca 0.04 0.88 -0.26 0.00 -0.41 0.00 0.00 54.97 55.21 2rbc s GLU 230 Cb -0.07 -2.02 -0.12 0.00 -1.78 0.00 0.00 34.13 30.13 2rbc s GLU 230 CO -0.00 -0.89 1.05 0.00 -0.49 0.00 0.00 175.26 174.93 2rbc n ALA 231 N -2.97 0.23 -2.37 5.21 0.00 -1.25 -2.89 120.51 116.48 2rbc n ALA 231 Ca 0.07 0.30 -0.16 0.00 0.00 0.00 0.00 53.44 53.65 2rbc n ALA 231 Cb 0.54 -2.09 -0.01 0.00 0.00 0.00 0.00 19.45 17.89 2rbc n ALA 231 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2rbc n ASP 232 N 0.79 -4.85 -3.65 0.00 2.03 0.67 -4.95 116.55 106.59 2rbc n ASP 232 Ca 0.09 0.11 -0.07 0.00 0.52 0.00 0.00 54.79 55.44 2rbc n ASP 232 Cb 0.36 -4.09 -0.07 0.00 -0.72 0.00 0.00 41.12 36.60 2rbc n ASP 232 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2rbc s ASP 233 N -2.06 -0.88 0.00 1.67 -1.08 -1.14 -5.05 116.67 108.13 2rbc s ASP 233 Ca 0.00 1.40 0.30 0.00 -0.52 0.00 0.00 52.55 53.73 2rbc s ASP 233 Cb 0.00 1.41 1.43 0.00 -1.46 0.00 0.00 42.92 44.31 2rbc s ASP 233 CO 0.00 -0.23 1.97 -0.81 0.52 0.00 0.00 175.17 176.62 2rbc n PRO 234 N 4.51 1.00 -1.68 4.34 -0.04 -1.26 -4.04 135.00 137.83 2rbc n PRO 234 Ca -0.19 -0.31 -0.47 0.00 -0.04 0.00 0.00 63.50 62.49 2rbc n PRO 234 Cb 0.57 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.49 2rbc n PRO 234 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2rbc n THR 235 N -0.73 0.40 -3.14 0.52 -1.04 -1.26 -4.91 114.28 104.12 2rbc n THR 235 Ca 0.19 -0.07 -0.40 0.00 -2.04 0.00 0.00 64.05 61.73 2rbc n THR 235 Cb 0.24 -1.78 -0.06 0.00 -1.82 0.00 0.00 70.33 66.91 2rbc n THR 235 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2rbc s VAL 236 N 3.07 5.03 0.16 12.58 1.01 -1.26 -4.41 120.40 136.58 2rbc s VAL 236 Ca 0.88 1.14 0.05 0.00 0.00 0.00 0.00 61.98 64.05 2rbc s VAL 236 Cb -0.68 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 31.73 2rbc s VAL 236 CO 0.47 0.11 0.12 -1.00 0.00 0.00 0.00 175.10 174.80 2rbc s HIS 237 N 1.96 3.12 0.00 5.22 3.76 1.00 -4.94 115.29 125.41 2rbc s HIS 237 Ca 0.27 -0.03 0.01 0.00 -0.15 0.00 0.00 55.06 55.17 2rbc s HIS 237 Cb -0.16 -1.50 -0.01 0.00 1.11 0.00 0.00 32.58 32.03 2rbc s HIS 237 CO 0.10 0.52 -0.04 0.12 -0.85 0.00 0.00 174.74 174.58 2rbc s PHE 238 N -1.75 0.39 -0.08 1.40 5.36 -1.26 -0.67 117.98 121.38 2rbc s PHE 238 Ca 0.31 -0.12 -0.01 0.00 -0.96 0.00 0.00 56.93 56.14 2rbc s PHE 238 Cb -0.10 -0.25 0.03 0.00 -0.34 0.00 0.00 43.02 42.36 2rbc s PHE 238 CO 0.23 -0.02 -0.01 -1.14 -1.46 0.00 0.00 175.22 172.82 2rbc s GLN 239 N -0.28 0.72 0.77 10.12 2.00 -0.23 -5.02 119.66 127.75 2rbc s GLN 239 Ca -0.00 0.06 -0.13 0.00 -2.00 0.00 0.00 55.36 53.29 2rbc s GLN 239 Cb -0.03 -1.04 0.06 0.00 0.80 0.00 0.00 33.01 32.80 2rbc s GLN 239 CO -0.00 -0.29 1.14 0.95 -0.50 0.00 0.00 175.29 176.59 2rbc s THR 240 N 1.91 2.68 0.00 -0.34 -4.23 -1.26 -1.61 115.64 112.79 2rbc s THR 240 Ca 0.05 0.27 0.00 0.00 -1.18 0.00 0.00 61.69 60.83 2rbc s THR 240 Cb -0.12 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.04 2rbc s THR 240 CO -0.05 -0.24 0.00 1.07 -0.54 0.00 0.00 174.62 174.86 2rbc n THR 241 N -3.24 0.00 -3.74 3.99 5.66 -1.26 -4.86 114.28 110.83 2rbc n THR 241 Ca 0.11 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.95 2rbc n THR 241 Cb 0.52 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.13 2rbc n THR 241 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2rbc s GLN 243 N 2.75 -0.04 0.25 1.09 -1.52 -1.26 -4.98 119.66 115.94 2rbc s GLN 243 Ca 0.00 0.25 0.01 0.00 -1.95 0.00 0.00 55.36 53.67 2rbc s GLN 243 Cb 0.00 -0.31 -0.05 0.00 -0.22 0.00 0.00 33.01 32.43 2rbc s GLN 243 CO 0.00 -0.21 0.11 0.14 -0.25 0.00 0.00 175.29 175.08 2rbc s VAL 244 N 1.37 0.42 -0.34 1.09 -7.23 -1.26 -5.10 120.40 109.35 2rbc s VAL 244 Ca -0.05 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 57.85 2rbc s VAL 244 Cb -0.13 -2.60 0.01 0.00 0.56 0.00 0.00 36.38 34.22 2rbc s VAL 244 CO -0.03 0.00 0.97 -0.70 -0.31 0.00 0.00 175.10 175.03 2rbc s GLU 245 N -4.06 3.97 -1.26 4.82 2.12 -1.26 -4.96 118.70 118.07 2rbc s GLU 245 Ca 0.38 0.80 -0.20 0.00 0.36 0.00 0.00 54.97 56.32 2rbc s GLU 245 Cb 0.08 -3.76 0.02 0.00 0.26 0.00 0.00 34.13 30.72 2rbc s GLU 245 CO 0.13 -0.88 1.81 0.00 -0.54 0.00 0.00 175.26 175.78 2rbc s ALA 246 N 3.47 2.80 0.15 6.30 0.00 -1.26 -4.16 121.76 129.05 2rbc s ALA 246 Ca 0.40 -2.66 -0.15 0.00 0.00 0.00 0.00 51.96 49.56 2rbc s ALA 246 Cb -0.12 -4.66 0.02 0.00 0.00 0.00 0.00 23.12 18.36 2rbc s ALA 246 CO 0.16 -3.97 1.71 0.28 0.00 0.00 0.00 175.76 173.94 2rbc h VAL 247 N 5.78 1.20 -1.43 0.00 2.07 -1.06 -3.43 116.25 119.37 2rbc h VAL 247 Ca 0.37 -0.61 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 2rbc h VAL 247 Cb 0.89 0.73 -0.25 0.00 -1.52 0.00 0.00 31.29 31.14 2rbc h VAL 247 CO 1.38 0.23 -0.42 -0.62 0.02 0.00 0.00 177.57 178.16 2rbc s ASP 248 N -5.91 -0.53 0.00 0.57 2.15 -0.10 -4.37 116.67 108.47 2rbc s ASP 248 Ca -0.13 0.25 0.29 0.00 0.43 0.00 0.00 52.55 53.39 2rbc s ASP 248 Cb 0.11 1.58 1.29 0.00 -0.30 0.00 0.00 42.92 45.60 2rbc s ASP 248 CO 0.76 -0.30 1.88 0.35 -0.17 0.00 0.00 175.17 177.69 2rbc n THR 249 N 5.39 0.00 -1.68 1.71 -2.24 -1.26 -4.21 114.28 111.99 2rbc n THR 249 Ca -0.00 -0.18 -0.45 0.00 -2.27 0.00 0.00 64.05 61.15 2rbc n THR 249 Cb 0.51 0.21 -0.04 0.00 -2.10 0.00 0.00 70.33 68.91 2rbc n THR 249 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2rbc n LEU 250 N -0.16 3.46 0.00 3.22 7.94 -1.26 -1.86 117.00 128.34 2rbc n LEU 250 Ca 0.20 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 56.16 2rbc n LEU 250 Cb 0.28 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 42.76 2rbc n LEU 250 CO 0.17 -0.10 0.00 0.00 -1.11 0.00 0.00 177.39 176.35 2rbc n ALA 251 N 4.11 0.00 -0.03 1.96 0.00 -1.26 -4.27 120.51 121.02 2rbc n ALA 251 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.52 2rbc n ALA 251 Cb 0.31 -0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 2rbc n ALA 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rbc h ALA 252 N 0.00 0.18 -0.86 0.00 0.00 -1.70 -0.88 119.26 116.00 2rbc h ALA 252 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2rbc h ALA 252 Cb 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2rbc h ALA 252 CO 0.00 -0.40 0.57 0.78 0.00 0.00 0.00 179.25 180.20 2rbc h GLY 253 N 0.11 1.21 1.01 0.00 0.00 -1.92 -1.10 103.07 102.39 2rbc h GLY 253 Ca 0.08 -0.46 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 2rbc h GLY 253 CO -0.10 0.45 0.19 -0.55 0.00 0.00 0.00 176.54 176.53 2rbc h ASP 254 N 1.17 0.88 -0.66 0.19 3.32 -1.79 0.58 116.42 120.11 2rbc h ASP 254 Ca 0.32 -0.21 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 2rbc h ASP 254 Cb -0.13 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.16 2rbc h ASP 254 CO -0.07 0.85 0.27 0.40 -1.72 0.00 0.00 179.24 178.98 2rbc h ILE 255 N 0.86 1.24 -0.05 0.35 5.03 -0.65 -1.41 117.51 122.88 2rbc h ILE 255 Ca 0.20 -0.73 0.03 0.00 -0.12 0.00 0.00 64.86 64.24 2rbc h ILE 255 Cb 0.29 0.49 -0.04 0.00 -3.03 0.00 0.00 36.82 34.52 2rbc h ILE 255 CO -0.01 0.29 -0.18 0.15 -0.68 0.00 0.00 178.15 177.73 2rbc h PHE 256 N 0.93 -0.47 -0.54 1.37 3.04 -0.78 -1.99 116.94 118.50 2rbc h PHE 256 Ca 0.22 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.15 2rbc h PHE 256 Cb 0.19 0.22 -0.02 0.00 2.56 0.00 0.00 35.95 38.90 2rbc h PHE 256 CO 0.01 -0.26 0.18 0.45 -2.02 0.00 0.00 178.31 176.68 2rbc h HIS 257 N -0.26 0.86 -0.47 0.41 -0.00 -0.62 -0.84 115.15 114.23 2rbc h HIS 257 Ca 0.07 -0.08 -0.04 0.00 -0.00 0.00 0.00 60.37 60.32 2rbc h HIS 257 Cb 0.37 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 27.50 2rbc h HIS 257 CO -0.25 0.72 0.13 0.78 -0.00 0.00 0.00 177.93 179.31 2rbc h GLY 258 N 0.75 0.79 1.01 2.45 0.00 -1.26 0.97 103.07 107.77 2rbc h GLY 258 Ca 0.18 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 2rbc h GLY 258 CO -0.01 0.45 0.40 -0.84 0.00 0.00 0.00 176.54 176.54 2rbc h THR 259 N 0.62 1.23 -0.37 4.70 2.02 -1.13 -1.32 112.91 118.65 2rbc h THR 259 Ca 0.15 -0.57 -0.07 0.00 0.77 0.00 0.00 66.41 66.68 2rbc h THR 259 Cb 0.29 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 2rbc h THR 259 CO -0.00 0.25 -0.06 0.15 0.37 0.00 0.00 175.52 176.23 2rbc h PHE 260 N 1.02 0.77 -0.45 3.16 3.57 -0.84 0.21 116.94 124.38 2rbc h PHE 260 Ca 0.26 -0.16 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 2rbc h PHE 260 Cb 0.05 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 2rbc h PHE 260 CO -0.00 0.82 0.28 0.00 -2.23 0.00 0.00 178.31 177.18 2rbc h ALA 261 N 0.84 0.58 -0.53 2.41 0.00 -0.67 -2.55 119.26 119.35 2rbc h ALA 261 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2rbc h ALA 261 Cb 0.55 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2rbc h ALA 261 CO 0.03 0.06 0.33 1.25 0.00 0.00 0.00 179.25 180.92 2rbc h LEU 262 N 0.60 0.62 -1.57 0.00 5.85 -1.04 -1.55 115.31 118.22 2rbc h LEU 262 Ca 0.16 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2rbc h LEU 262 Cb -0.01 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.86 2rbc h LEU 262 CO -0.03 0.47 0.00 0.00 -0.34 0.00 0.00 178.44 178.54 2rbc n ALA 263 N -2.26 1.08 0.00 1.25 0.00 0.73 -0.96 120.51 120.36 2rbc n ALA 263 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2rbc n ALA 263 Cb 0.04 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.62 2rbc n ALA 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rbc n ALA 265 N 0.68 0.00 0.85 0.00 0.00 -0.58 -1.78 120.51 119.68 2rbc n ALA 265 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2rbc n ALA 265 Cb 0.00 0.00 0.52 0.00 0.00 0.00 0.00 19.45 19.97 2rbc n ALA 265 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2rbc n GLU 266 N 0.00 0.02 -1.38 0.00 1.02 -0.13 -4.97 120.64 115.20 2rbc n GLU 266 Ca 0.00 0.08 -0.00 0.00 -0.02 0.00 0.00 57.16 57.22 2rbc n GLU 266 Cb 0.00 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 29.92 2rbc n GLU 266 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rbc n GLY 267 N 0.99 -3.05 3.82 0.62 0.00 -0.74 -5.18 105.19 101.65 2rbc n GLY 267 Ca 0.06 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 2rbc n GLY 267 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rbc s GLN 269 N -1.34 3.03 0.12 1.61 -1.52 -1.26 -5.16 119.66 115.13 2rbc s GLN 269 Ca -0.01 -0.68 -0.20 0.00 -1.95 0.00 0.00 55.36 52.52 2rbc s GLN 269 Cb 0.00 -2.78 -0.07 0.00 -0.22 0.00 0.00 33.01 29.93 2rbc s GLN 269 CO 0.03 0.55 1.76 0.77 -0.25 0.00 0.00 175.29 178.15 2rbc h SER 270 N 2.97 0.13 -0.33 5.90 0.02 -1.99 -0.84 113.55 119.40 2rbc h SER 270 Ca -0.47 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.45 2rbc h SER 270 Cb 1.17 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 2rbc h SER 270 CO 0.67 0.10 0.07 -0.09 -1.14 0.00 0.00 176.83 176.44 2rbc h ARG 271 N 0.18 0.54 -0.83 3.45 2.43 -2.02 0.48 114.38 118.60 2rbc h ARG 271 Ca 0.06 -0.13 0.13 0.00 -0.81 0.00 0.00 59.98 59.23 2rbc h ARG 271 Cb 0.01 -0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 29.40 2rbc h ARG 271 CO -0.04 0.60 0.43 0.00 -1.51 0.00 0.00 179.97 179.45 2rbc h ALA 272 N 0.91 1.22 -0.39 2.80 0.00 -1.95 0.60 119.26 122.44 2rbc h ALA 272 Ca 0.10 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 2rbc h ALA 272 Cb 0.31 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2rbc h ALA 272 CO 0.00 -0.05 -0.31 0.00 0.00 0.00 0.00 179.25 178.90 2rbc h ALA 273 N 1.52 0.56 -0.42 0.00 0.00 -0.68 -0.99 119.26 119.26 2rbc h ALA 273 Ca 0.43 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2rbc h ALA 273 Cb 0.56 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2rbc h ALA 273 CO -0.33 0.61 0.03 0.28 0.00 0.00 0.00 179.25 179.84 2rbc h VAL 274 N 0.71 1.25 0.05 0.00 2.07 -0.40 -2.02 116.25 117.91 2rbc h VAL 274 Ca 0.07 -0.95 0.01 0.00 0.82 0.00 0.00 66.70 66.65 2rbc h VAL 274 Cb 0.89 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 2rbc h VAL 274 CO 0.08 0.33 -0.11 0.03 0.02 0.00 0.00 177.57 177.91 2rbc h ARG 275 N 0.56 -0.21 -0.57 1.57 3.08 -0.77 -0.96 114.38 117.08 2rbc h ARG 275 Ca 0.12 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.21 2rbc h ARG 275 Cb 0.43 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.49 2rbc h ARG 275 CO 0.01 -0.14 0.35 1.25 -1.07 0.00 0.00 179.97 180.37 2rbc h LEU 276 N -0.22 0.57 -0.74 3.04 5.85 -1.15 -0.60 115.31 122.05 2rbc h LEU 276 Ca 0.03 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 2rbc h LEU 276 Cb 0.24 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 2rbc h LEU 276 CO -0.08 0.41 0.23 0.28 -0.34 0.00 0.00 178.44 178.93 2rbc h SER 277 N 0.69 1.09 -0.15 1.25 0.02 -1.31 -1.17 113.55 113.98 2rbc h SER 277 Ca 0.22 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2rbc h SER 277 Cb 0.00 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 2rbc h SER 277 CO -0.09 1.01 0.07 0.28 -1.14 0.00 0.00 176.83 176.97 2rbc h SER 278 N 1.11 0.19 -0.53 3.07 0.02 -0.79 -1.23 113.55 115.39 2rbc h SER 278 Ca 0.24 -0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 2rbc h SER 278 Cb 0.32 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 2rbc h SER 278 CO -0.01 0.26 0.13 0.58 -1.14 0.00 0.00 176.83 176.65 2rbc h VAL 279 N 0.11 1.24 -0.46 2.27 2.07 -0.98 -0.59 116.25 119.92 2rbc h VAL 279 Ca 0.05 -0.86 0.03 0.00 0.82 0.00 0.00 66.70 66.74 2rbc h VAL 279 Cb 0.11 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 2rbc h VAL 279 CO -0.01 0.31 0.25 0.00 0.02 0.00 0.00 177.57 178.14 2rbc h ALA 280 N 1.01 0.58 -0.47 1.67 0.00 -1.15 -0.38 119.26 120.51 2rbc h ALA 280 Ca 0.17 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2rbc h ALA 280 Cb 0.33 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2rbc h ALA 280 CO 0.00 -0.09 0.24 0.00 0.00 0.00 0.00 179.25 179.41 2rbc h ALA 281 N 1.23 0.61 -0.32 0.00 0.00 -1.02 -2.04 119.26 117.72 2rbc h ALA 281 Ca 0.19 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.05 2rbc h ALA 281 Cb 0.07 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2rbc h ALA 281 CO -0.12 0.15 0.06 0.00 0.00 0.00 0.00 179.25 179.35 2rbc h ALA 282 N 1.09 0.34 -0.51 0.00 0.00 -0.69 -2.18 119.26 117.31 2rbc h ALA 282 Ca 0.17 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.19 2rbc h ALA 282 Cb 0.09 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 2rbc h ALA 282 CO -0.02 -0.34 0.25 -0.07 0.00 0.00 0.00 179.25 179.06 2rbc h LEU 283 N 0.18 0.34 -1.78 0.00 3.38 -0.83 -1.82 115.31 114.78 2rbc h LEU 283 Ca 0.15 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 2rbc h LEU 283 Cb 0.17 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2rbc h LEU 283 CO -0.20 0.24 -0.09 0.50 0.09 0.00 0.00 178.44 178.98 2rbc h LYS 284 N 0.48 0.03 0.00 1.13 3.64 -0.78 -2.22 116.57 118.86 2rbc h LYS 284 Ca 0.23 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2rbc h LYS 284 Cb 0.16 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2rbc h LYS 284 CO -0.17 0.12 0.00 0.00 -2.27 0.00 0.00 179.45 177.13 2rbc n THR 286 N -2.55 0.00 -4.89 0.00 -2.24 -0.83 -0.48 114.28 103.29 2rbc n THR 286 Ca 0.01 -0.17 -0.30 0.00 -2.27 0.00 0.00 64.05 61.32 2rbc n THR 286 Cb 0.23 0.22 -0.17 0.00 -2.10 0.00 0.00 70.33 68.50 2rbc n THR 286 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2rbc s VAL 287 N -2.06 1.77 0.20 2.28 1.01 -1.12 -4.72 120.40 117.76 2rbc s VAL 287 Ca 0.39 -0.84 -0.32 0.00 0.00 0.00 0.00 61.98 61.21 2rbc s VAL 287 Cb 0.21 -1.56 -0.11 0.00 0.00 0.00 0.00 36.38 34.92 2rbc s VAL 287 CO 0.36 0.50 1.66 0.12 0.00 0.00 0.00 175.10 177.73 2rbc s PHE 288 N 0.57 2.96 0.00 5.22 5.36 -1.26 -4.38 117.98 126.45 2rbc s PHE 288 Ca -0.15 0.48 0.00 0.00 -0.96 0.00 0.00 56.93 56.30 2rbc s PHE 288 Cb -0.17 -4.05 0.00 0.00 -0.34 0.00 0.00 43.02 38.46 2rbc s PHE 288 CO 0.05 -3.93 0.00 0.41 -1.46 0.00 0.00 175.22 170.29 2rbc n GLY 289 N 3.80 0.36 7.00 13.12 0.00 -1.26 -4.76 105.19 123.45 2rbc n GLY 289 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2rbc n GLY 289 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rbc n GLY 290 N 0.00 2.99 0.00 -0.02 0.00 -1.26 -2.02 105.19 104.88 2rbc n GLY 290 Ca 0.00 -0.20 0.09 0.00 0.00 0.00 0.00 46.02 45.91 2rbc n GLY 290 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2rbc n ARG 291 N 13.39 0.02 0.25 1.61 1.85 -1.26 -4.07 116.66 128.45 2rbc n ARG 291 Ca 0.00 0.18 0.11 0.00 -1.00 0.00 0.00 57.85 57.13 2rbc n ARG 291 Cb 0.00 -1.50 0.66 0.00 -1.05 0.00 0.00 32.46 30.57 2rbc n ARG 291 CO 0.00 0.00 0.00 0.97 -0.01 0.00 0.00 177.63 178.59 2rbc h ILE 292 N 0.00 0.70 0.00 8.89 6.09 -1.75 -0.11 117.51 131.33 2rbc h ILE 292 Ca 0.00 -0.59 0.00 0.00 -1.37 0.00 0.00 64.86 62.90 2rbc h ILE 292 Cb 0.31 1.36 0.00 0.00 0.47 0.00 0.00 36.82 38.96 2rbc h ILE 292 CO 0.00 0.14 0.00 0.61 -3.07 0.00 0.00 178.15 175.83 2rbc n GLY 293 N -0.73 -0.91 3.68 8.18 0.00 -1.26 -4.90 105.19 109.26 2rbc n GLY 293 Ca -0.02 -0.11 -0.47 0.00 0.00 0.00 0.00 46.02 45.42 2rbc n GLY 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rbc n ALA 294 N -0.81 1.10 -1.69 4.61 0.00 -0.06 -3.82 120.51 119.84 2rbc n ALA 294 Ca 0.14 0.31 -0.30 0.00 0.00 0.00 0.00 53.44 53.58 2rbc n ALA 294 Cb 0.06 -2.49 0.06 0.00 0.00 0.00 0.00 19.45 17.08 2rbc n ALA 294 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2rbc s PRO 295 N 3.47 2.70 0.87 0.00 0.04 -1.26 -5.01 135.00 135.81 2rbc s PRO 295 Ca 0.89 0.68 -0.11 0.00 0.04 0.00 0.00 61.00 62.50 2rbc s PRO 295 Cb -0.66 -1.99 0.11 0.00 0.04 0.00 0.00 34.50 32.01 2rbc s PRO 295 CO 0.48 -1.19 1.09 0.95 0.04 0.00 0.00 177.00 178.36 2rbc s THR 296 N -3.19 2.81 0.15 1.26 -4.23 -1.26 -4.78 115.64 106.40 2rbc s THR 296 Ca 0.59 0.26 -0.15 0.00 -1.18 0.00 0.00 61.69 61.21 2rbc s THR 296 Cb -0.13 -2.72 0.03 0.00 1.34 0.00 0.00 72.50 71.02 2rbc s THR 296 CO 0.54 -0.34 1.74 -0.09 -0.54 0.00 0.00 174.62 175.92 2rbc h ARG 297 N -1.47 0.69 -0.14 3.99 9.65 -1.85 -2.06 114.38 123.20 2rbc h ARG 297 Ca -0.48 -0.10 -0.13 0.00 -1.10 0.00 0.00 59.98 58.18 2rbc h ARG 297 Cb 1.27 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 29.71 2rbc h ARG 297 CO 0.53 0.57 -0.48 1.49 2.80 0.00 0.00 179.97 184.88 2rbc h GLU 298 N 0.63 0.35 -0.64 0.20 4.57 -1.93 0.98 114.58 118.74 2rbc h GLU 298 Ca 0.17 -0.19 0.01 0.00 -1.18 0.00 0.00 59.36 58.16 2rbc h GLU 298 Cb 0.10 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 2rbc h GLU 298 CO -0.02 0.76 0.42 0.93 -1.18 0.00 0.00 179.01 179.92 2rbc h GLU 299 N 0.28 0.85 -0.30 1.92 5.08 -1.91 -1.15 114.58 119.35 2rbc h GLU 299 Ca 0.02 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2rbc h GLU 299 Cb 0.95 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2rbc h GLU 299 CO 0.08 0.56 0.07 1.15 -1.00 0.00 0.00 179.01 179.87 2rbc h THR 300 N 0.87 1.22 -0.63 1.13 2.02 -1.06 -1.28 112.91 115.19 2rbc h THR 300 Ca 0.24 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 2rbc h THR 300 Cb -0.10 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 2rbc h THR 300 CO -0.05 0.25 0.35 -0.33 0.37 0.00 0.00 175.52 176.11 2rbc h GLU 301 N 0.32 0.87 -0.19 6.66 4.39 -0.65 -2.93 114.58 123.04 2rbc h GLU 301 Ca 0.09 -0.09 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 2rbc h GLU 301 Cb 0.31 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2rbc h GLU 301 CO 0.00 0.64 -0.19 1.49 -1.16 0.00 0.00 179.01 179.79 2rbc h GLU 302 N 0.85 0.47 -0.05 2.33 4.57 -1.19 -1.46 114.58 120.10 2rbc h GLU 302 Ca 0.22 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2rbc h GLU 302 Cb 0.02 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 2rbc h GLU 302 CO -0.04 0.82 0.00 0.00 -1.18 0.00 0.00 179.01 178.62 2rbc n ALA 303 N -2.45 0.78 0.00 2.92 0.00 -0.49 -2.05 120.51 119.23 2rbc n ALA 303 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2rbc n ALA 303 Cb 0.40 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.08 2rbc n ALA 303 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2rbc n ARG 305 N 0.40 0.00 -0.24 0.00 0.63 -0.55 -0.88 116.66 116.02 2rbc n ARG 305 Ca 0.00 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.85 2rbc n ARG 305 Cb 0.00 0.00 0.04 0.00 0.45 0.00 0.00 32.46 32.95 2rbc n ARG 305 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 2rbc h GLN 306 N 0.00 1.06 -0.36 -0.14 4.20 -1.69 -2.82 115.11 115.35 2rbc h GLN 306 Ca 0.00 -0.24 -0.04 0.00 0.06 0.00 0.00 58.65 58.43 2rbc h GLN 306 Cb 0.00 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 2rbc h GLN 306 CO 0.00 0.93 0.08 2.35 -0.67 0.00 0.00 178.83 181.53 2rbc h TRP 307 N 0.98 0.62 0.00 2.96 7.01 -1.28 -1.99 115.95 124.26 2rbc h TRP 307 Ca 0.21 -0.08 0.00 0.00 2.11 0.00 0.00 58.89 61.13 2rbc h TRP 307 Cb 0.34 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 27.23 2rbc h TRP 307 CO 0.03 0.62 0.00 -0.07 -2.79 0.00 0.00 178.44 176.22 2rbc h LEU 308 N 0.44 0.00 -3.12 0.65 3.38 -1.80 -0.58 115.31 114.28 2rbc h LEU 308 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2rbc h LEU 308 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2rbc h LEU 308 CO 0.00 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.91 2rbc n GLU 309 N -2.47 3.44 -0.95 1.13 1.02 -0.78 -5.04 120.64 116.98 2rbc n GLU 309 Ca -0.00 -2.73 -0.31 0.00 -0.02 0.00 0.00 57.16 54.09 2rbc n GLU 309 Cb 0.13 -1.77 0.13 0.00 -0.02 0.00 0.00 31.44 29.91 2rbc n GLU 309 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2rbc s ARG 310 N -1.87 1.54 0.00 3.49 1.70 -0.23 -5.05 118.95 118.53 2rbc s ARG 310 Ca 0.44 1.44 0.00 0.00 -0.47 0.00 0.00 55.73 57.14 2rbc s ARG 310 Cb 0.29 -1.80 0.00 0.00 -0.57 0.00 0.00 34.95 32.88 2rbc s ARG 310 CO 0.20 -2.23 0.00 -0.85 -1.08 0.00 0.00 175.30 171.35