#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n0t s VAL 6 N 0.00 3.59 -0.41 12.58 1.01 0.60 -4.86 120.40 132.91 1n0t s VAL 6 Ca 0.00 1.12 -0.18 0.00 0.00 0.00 0.00 61.98 62.92 1n0t s VAL 6 Cb 0.00 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.68 1n0t s VAL 6 CO 0.00 0.07 0.49 -0.69 0.00 0.00 0.00 175.10 174.97 1n0t s VAL 7 N 1.33 5.02 -0.15 2.92 1.01 -1.26 -0.53 120.40 128.74 1n0t s VAL 7 Ca 0.63 -0.10 -0.10 0.00 0.00 0.00 0.00 61.98 62.40 1n0t s VAL 7 Cb -0.34 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 31.95 1n0t s VAL 7 CO 0.29 -0.41 0.20 -0.69 0.00 0.00 0.00 175.10 174.49 1n0t s VAL 8 N 2.33 5.38 -0.13 2.92 1.01 -0.33 -1.04 120.40 130.54 1n0t s VAL 8 Ca 0.16 0.34 -0.03 0.00 0.00 0.00 0.00 61.98 62.45 1n0t s VAL 8 Cb -0.16 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 1n0t s VAL 8 CO 0.15 0.50 -0.01 0.28 0.00 0.00 0.00 175.10 176.01 1n0t s THR 9 N -0.18 4.13 0.22 3.92 -1.32 0.37 -0.44 115.64 122.33 1n0t s THR 9 Ca 0.14 -0.29 0.00 0.00 -1.21 0.00 0.00 61.69 60.33 1n0t s THR 9 Cb -0.12 -2.78 -0.00 0.00 -1.51 0.00 0.00 72.50 68.08 1n0t s THR 9 CO 0.03 0.53 0.28 1.07 -2.21 0.00 0.00 174.62 174.32 1n0t n THR 10 N 2.97 0.00 -3.91 5.08 5.66 -0.29 -2.18 114.28 121.61 1n0t n THR 10 Ca -0.18 -1.23 -0.11 0.00 -3.05 0.00 0.00 64.05 59.49 1n0t n THR 10 Cb 0.53 0.71 -0.12 0.00 -1.55 0.00 0.00 70.33 69.90 1n0t n THR 10 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 1n0t s ILE 11 N -2.72 0.06 -0.34 1.09 2.07 -1.26 -1.12 121.20 118.97 1n0t s ILE 11 Ca 0.20 -0.49 -0.29 0.00 -1.41 0.00 0.00 60.65 58.67 1n0t s ILE 11 Cb -0.00 -0.19 0.01 0.00 0.13 0.00 0.00 42.46 42.40 1n0t s ILE 11 CO 0.14 -0.27 1.33 -0.76 -1.91 0.00 0.00 174.94 173.47 1n0t s LEU 12 N -0.80 3.77 -0.24 8.50 1.43 -1.26 -4.40 118.68 125.69 1n0t s LEU 12 Ca -0.09 1.05 -0.13 0.00 -1.03 0.00 0.00 54.13 53.93 1n0t s LEU 12 Cb -0.05 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 42.70 1n0t s LEU 12 CO -0.00 -1.20 0.57 -0.70 0.23 0.00 0.00 176.35 175.24 1n0t s GLU 13 N 4.43 0.56 0.19 1.70 2.56 -0.31 -4.97 118.70 122.86 1n0t s GLU 13 Ca 0.57 1.07 -0.30 0.00 0.00 0.00 0.00 54.97 56.31 1n0t s GLU 13 Cb -0.15 0.13 -0.08 0.00 2.00 0.00 0.00 34.13 36.03 1n0t s GLU 13 CO 0.27 -0.16 0.95 -1.12 -0.56 0.00 0.00 175.26 174.64 1n0t s SER 14 N 1.67 7.58 -0.43 -1.70 0.01 -1.26 -0.18 113.70 119.39 1n0t s SER 14 Ca -0.09 1.89 0.05 0.00 1.31 0.00 0.00 55.95 59.11 1n0t s SER 14 Cb -0.07 -2.60 0.62 0.00 0.21 0.00 0.00 66.02 64.17 1n0t s SER 14 CO -0.17 0.06 1.82 -0.81 0.41 0.00 0.00 173.24 174.56 1n0t n PRO 15 N 2.02 2.21 0.02 12.44 -0.04 -1.26 -4.96 135.00 145.43 1n0t n PRO 15 Ca -0.00 -3.09 -0.09 0.00 -0.04 0.00 0.00 63.50 60.28 1n0t n PRO 15 Cb 0.48 -2.11 -0.07 0.00 -0.04 0.00 0.00 33.50 31.75 1n0t n PRO 15 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1n0t h TYR 16 N 1.09 -0.14 -3.12 0.54 0.05 -0.89 -0.10 116.97 114.41 1n0t h TYR 16 Ca 0.55 -0.00 -0.29 0.00 0.05 0.00 0.00 58.73 59.04 1n0t h TYR 16 Cb 2.45 0.04 -0.35 0.00 1.01 0.00 0.00 36.73 39.88 1n0t h TYR 16 CO 1.46 0.32 -0.63 0.08 -1.05 0.00 0.00 178.16 178.34 1n0t s VAL 17 N -2.85 -0.23 -0.01 -2.88 1.01 -0.25 -1.22 120.40 113.98 1n0t s VAL 17 Ca -0.11 0.33 -0.04 0.00 0.00 0.00 0.00 61.98 62.16 1n0t s VAL 17 Cb -0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 36.38 36.09 1n0t s VAL 17 CO 0.42 0.14 0.08 -0.04 0.00 0.00 0.00 175.10 175.71 1n0t s MET 18 N 2.13 0.33 -0.07 2.72 -1.94 -0.11 -1.17 119.30 121.19 1n0t s MET 18 Ca 0.01 -0.29 -0.30 0.00 -1.71 0.00 0.00 55.69 53.40 1n0t s MET 18 Cb -0.12 0.13 -0.02 0.00 2.01 0.00 0.00 34.83 36.84 1n0t s MET 18 CO -0.06 -0.07 1.02 -1.64 -0.01 0.00 0.00 175.02 174.27 1n0t s MET 19 N -0.97 4.45 0.72 2.03 -1.94 -1.26 -0.73 119.30 121.59 1n0t s MET 19 Ca -0.11 1.44 -0.16 0.00 -1.71 0.00 0.00 55.69 55.15 1n0t s MET 19 Cb -0.06 -3.52 0.03 0.00 2.01 0.00 0.00 34.83 33.29 1n0t s MET 19 CO 0.00 -0.26 1.18 1.63 -0.01 0.00 0.00 175.02 177.56 1n0t n LYS 20 N 4.72 0.64 -0.32 2.03 5.02 -0.13 -4.88 118.16 125.24 1n0t n LYS 20 Ca 0.08 0.28 0.09 0.00 -2.02 0.00 0.00 58.31 56.75 1n0t n LYS 20 Cb 0.49 -2.42 0.30 0.00 -0.02 0.00 0.00 35.03 33.38 1n0t n LYS 20 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1n0t h LYS 21 N -0.16 0.84 -0.88 1.97 1.57 -1.95 -1.03 116.57 116.94 1n0t h LYS 21 Ca -0.48 -0.05 -0.42 0.00 -1.87 0.00 0.00 60.65 57.82 1n0t h LYS 21 Cb 1.32 -0.19 -0.25 0.00 0.08 0.00 0.00 32.23 33.19 1n0t h LYS 21 CO 0.49 0.56 0.51 0.27 -0.57 0.00 0.00 179.45 180.71 1n0t n ASN 22 N -4.60 3.89 -0.16 0.86 6.94 -1.26 -4.70 115.26 116.22 1n0t n ASN 22 Ca 0.18 -3.54 0.21 0.00 -0.02 0.00 0.00 54.58 51.41 1n0t n ASN 22 Cb 0.40 -0.80 0.60 0.00 -2.36 0.00 0.00 39.78 37.62 1n0t n ASN 22 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 1n0t h HIS 23 N 1.37 0.29 -0.02 -2.53 2.07 -1.47 -1.13 115.15 113.74 1n0t h HIS 23 Ca 0.52 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 58.05 1n0t h HIS 23 Cb 2.65 -0.09 -0.00 0.00 2.57 0.00 0.00 27.41 32.54 1n0t h HIS 23 CO 1.48 0.09 0.04 1.05 -3.07 0.00 0.00 177.93 177.51 1n0t h GLU 24 N 0.23 0.00 -0.02 5.12 4.11 -1.85 1.00 114.58 123.17 1n0t h GLU 24 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.83 1n0t h GLU 24 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1n0t h GLU 24 CO -0.09 0.00 -0.22 -1.33 0.07 0.00 0.00 179.01 177.44 1n0t n MET 25 N -3.40 1.48 -3.56 1.06 2.81 -0.43 -4.93 117.12 110.15 1n0t n MET 25 Ca -0.03 -1.10 -0.21 0.00 -1.81 0.00 0.00 57.70 54.56 1n0t n MET 25 Cb 0.11 -1.48 -0.03 0.00 -0.71 0.00 0.00 33.22 31.12 1n0t n MET 25 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1n0t s LEU 26 N -2.28 3.43 0.08 4.03 1.43 0.34 -5.13 118.68 120.58 1n0t s LEU 26 Ca 0.26 -0.70 0.02 0.00 -1.03 0.00 0.00 54.13 52.68 1n0t s LEU 26 Cb 0.19 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 1n0t s LEU 26 CO 0.45 -0.63 -0.08 -0.70 0.23 0.00 0.00 176.35 175.63 1n0t s GLU 27 N -4.13 0.71 2.96 1.70 2.12 -1.26 -4.80 118.70 116.01 1n0t s GLU 27 Ca 0.48 -1.08 0.00 0.00 0.36 0.00 0.00 54.97 54.72 1n0t s GLU 27 Cb -0.04 -0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.07 1n0t s GLU 27 CO 0.28 0.02 0.00 0.41 -0.54 0.00 0.00 175.26 175.43 1n0t n GLY 28 N 0.63 2.15 0.33 -1.50 0.00 -1.26 -2.00 105.19 103.55 1n0t n GLY 28 Ca -0.17 -0.31 0.16 0.00 0.00 0.00 0.00 46.02 45.70 1n0t n GLY 28 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1n0t h ASN 29 N 4.53 0.00 0.25 1.61 -0.26 -1.92 -2.09 115.58 117.69 1n0t h ASN 29 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1n0t h ASN 29 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1n0t h ASN 29 CO 0.00 0.00 0.00 -0.08 -1.06 0.00 0.00 177.43 176.29 1n0t h GLU 30 N 0.00 0.00 0.00 0.81 4.81 -1.81 -2.25 114.58 116.14 1n0t h GLU 30 Ca 0.13 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 1n0t h GLU 30 Cb 0.55 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 1n0t h GLU 30 CO -0.00 0.00 -0.11 0.00 -0.73 0.00 0.00 179.01 178.17 1n0t h ARG 31 N 0.00 0.00 -6.31 1.92 3.08 -1.44 -3.45 114.38 108.18 1n0t h ARG 31 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 1n0t h ARG 31 Cb 0.12 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.07 1n0t h ARG 31 CO 0.00 0.11 -0.64 0.71 -1.07 0.00 0.00 179.97 179.08 1n0t s TYR 32 N -4.12 2.90 0.08 3.04 2.02 -0.85 -0.96 117.35 119.47 1n0t s TYR 32 Ca -0.02 -0.11 -0.03 0.00 -0.37 0.00 0.00 57.07 56.53 1n0t s TYR 32 Cb 0.13 -1.40 -0.03 0.00 -0.40 0.00 0.00 41.96 40.25 1n0t s TYR 32 CO 0.58 0.52 0.04 -1.83 -1.57 0.00 0.00 175.55 173.29 1n0t s GLU 33 N -2.97 0.75 0.00 -0.62 -1.05 0.09 -4.86 118.70 110.04 1n0t s GLU 33 Ca 0.28 -1.22 0.00 0.00 -0.15 0.00 0.00 54.97 53.88 1n0t s GLU 33 Cb -0.09 0.25 0.00 0.00 -0.44 0.00 0.00 34.13 33.84 1n0t s GLU 33 CO 0.19 -0.19 0.00 0.41 0.95 0.00 0.00 175.26 176.63 1n0t n GLY 34 N 0.02 1.47 0.11 -3.83 0.00 -1.26 -0.93 105.19 100.77 1n0t n GLY 34 Ca -0.12 -1.91 -0.10 0.00 0.00 0.00 0.00 46.02 43.89 1n0t n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1n0t h TYR 35 N 0.00 0.25 0.00 1.61 5.03 -0.47 -1.50 116.97 121.89 1n0t h TYR 35 Ca 0.00 0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.24 1n0t h TYR 35 Cb 0.00 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.19 1n0t h TYR 35 CO 0.00 0.19 -0.36 0.00 -1.32 0.00 0.00 178.16 176.66 1n0t h VAL 37 N 0.00 1.30 -0.30 0.00 2.07 -1.45 0.19 116.25 118.05 1n0t h VAL 37 Ca -0.00 -1.31 -0.10 0.00 0.82 0.00 0.00 66.70 66.10 1n0t h VAL 37 Cb 1.01 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 1n0t h VAL 37 CO 0.05 0.42 -0.21 0.44 0.02 0.00 0.00 177.57 178.28 1n0t h ASP 38 N 0.42 0.71 -0.71 0.57 3.32 -1.14 -2.23 116.42 117.36 1n0t h ASP 38 Ca 0.06 -0.44 0.01 0.00 0.02 0.00 0.00 57.03 56.68 1n0t h ASP 38 Cb 0.72 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.04 1n0t h ASP 38 CO 0.05 1.00 0.47 0.25 -1.72 0.00 0.00 179.24 179.29 1n0t h LEU 39 N 0.43 0.83 -0.61 1.55 5.85 -1.04 -0.49 115.31 121.84 1n0t h LEU 39 Ca 0.06 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1n0t h LEU 39 Cb 0.76 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 1n0t h LEU 39 CO 0.06 0.61 0.37 0.00 -0.34 0.00 0.00 178.44 179.14 1n0t h ALA 40 N 1.26 0.78 -0.32 1.25 0.00 -0.53 0.17 119.26 121.88 1n0t h ALA 40 Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1n0t h ALA 40 Cb -0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1n0t h ALA 40 CO -0.06 0.12 0.20 0.00 0.00 0.00 0.00 179.25 179.51 1n0t h ALA 41 N 1.26 0.40 -0.33 0.00 0.00 -0.70 -1.32 119.26 118.57 1n0t h ALA 41 Ca 0.24 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1n0t h ALA 41 Cb 0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1n0t h ALA 41 CO -0.10 -0.11 0.18 0.93 0.00 0.00 0.00 179.25 180.15 1n0t h GLU 42 N 0.42 0.46 0.11 0.00 4.39 -0.66 -1.34 114.58 117.95 1n0t h GLU 42 Ca 0.11 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 1n0t h GLU 42 Cb -0.02 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 1n0t h GLU 42 CO -0.02 0.39 -0.08 0.82 -1.16 0.00 0.00 179.01 178.95 1n0t h ILE 43 N 0.40 0.82 -0.76 3.13 1.08 -0.80 -1.89 117.51 119.49 1n0t h ILE 43 Ca 0.11 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.67 1n0t h ILE 43 Cb 0.07 0.82 -0.07 0.00 -3.07 0.00 0.00 36.82 34.56 1n0t h ILE 43 CO -0.02 0.00 0.43 0.00 -0.69 0.00 0.00 178.15 177.87 1n0t h ALA 44 N 0.68 1.07 0.62 1.87 0.00 -1.15 0.72 119.26 123.06 1n0t h ALA 44 Ca -0.00 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1n0t h ALA 44 Cb 0.18 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1n0t h ALA 44 CO -0.00 0.07 -0.39 -0.22 0.00 0.00 0.00 179.25 178.70 1n0t h LYS 45 N 0.74 -0.91 -0.31 0.00 3.64 -0.88 0.92 116.57 119.76 1n0t h LYS 45 Ca 0.36 0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.85 1n0t h LYS 45 Cb 0.31 0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 32.29 1n0t h LYS 45 CO -0.23 -0.61 0.03 0.45 -2.27 0.00 0.00 179.45 176.82 1n0t h HIS 46 N -0.95 0.04 0.00 1.91 3.86 -1.15 -0.82 115.15 118.04 1n0t h HIS 46 Ca -0.08 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1n0t h HIS 46 Cb 0.76 0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.26 1n0t h HIS 46 CO -0.07 -0.02 0.00 0.00 0.86 0.00 0.00 177.93 178.70 1n0t n GLY 48 N 0.37 -0.81 3.14 0.00 0.00 0.31 -5.03 105.19 103.18 1n0t n GLY 48 Ca 0.03 0.40 -0.08 0.00 0.00 0.00 0.00 46.02 46.37 1n0t n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1n0t s PHE 49 N -3.35 0.52 0.08 1.61 -0.12 -0.68 -5.03 117.98 111.01 1n0t s PHE 49 Ca 0.32 -0.99 -0.02 0.00 -0.05 0.00 0.00 56.93 56.19 1n0t s PHE 49 Cb -0.04 -0.32 -0.05 0.00 -0.63 0.00 0.00 43.02 41.98 1n0t s PHE 49 CO 0.66 -0.47 0.26 0.15 -0.05 0.00 0.00 175.22 175.78 1n0t s LYS 50 N -3.94 3.50 0.15 1.99 1.02 -1.26 -4.66 119.74 116.54 1n0t s LYS 50 Ca 0.11 -0.31 -0.08 0.00 0.02 0.00 0.00 55.97 55.71 1n0t s LYS 50 Cb 0.07 -2.98 -0.01 0.00 -0.52 0.00 0.00 37.83 34.39 1n0t s LYS 50 CO -0.07 0.57 0.26 1.52 -0.92 0.00 0.00 175.35 176.71 1n0t s TYR 51 N -1.54 0.39 -0.07 3.18 1.13 -1.26 -0.29 117.35 118.89 1n0t s TYR 51 Ca 0.36 -0.76 0.01 0.00 -1.41 0.00 0.00 57.07 55.27 1n0t s TYR 51 Cb -0.13 -0.08 0.02 0.00 -1.10 0.00 0.00 41.96 40.68 1n0t s TYR 51 CO 0.26 -0.69 -0.07 0.21 -2.51 0.00 0.00 175.55 172.76 1n0t s LYS 52 N -3.96 1.20 -0.24 -3.49 2.20 0.31 -4.87 119.74 110.88 1n0t s LYS 52 Ca 0.16 -0.19 -0.26 0.00 -0.36 0.00 0.00 55.97 55.32 1n0t s LYS 52 Cb 0.04 -1.20 0.00 0.00 -1.51 0.00 0.00 37.83 35.16 1n0t s LYS 52 CO -0.01 -0.14 0.92 -0.51 -0.36 0.00 0.00 175.35 175.25 1n0t s LEU 53 N 1.22 4.08 0.04 5.43 1.43 -1.26 -1.19 118.68 128.44 1n0t s LEU 53 Ca -0.05 1.17 0.09 0.00 -1.03 0.00 0.00 54.13 54.30 1n0t s LEU 53 Cb -0.14 -3.34 -0.03 0.00 0.03 0.00 0.00 46.19 42.71 1n0t s LEU 53 CO -0.02 -0.59 -0.26 0.42 0.23 0.00 0.00 176.35 176.13 1n0t s THR 54 N 3.02 2.18 -0.21 5.49 -4.23 0.41 -4.90 115.64 117.40 1n0t s THR 54 Ca 0.39 -1.37 -0.16 0.00 -1.18 0.00 0.00 61.69 59.36 1n0t s THR 54 Cb -0.15 -1.85 -0.04 0.00 1.34 0.00 0.00 72.50 71.81 1n0t s THR 54 CO 0.07 0.37 0.42 -0.63 -0.54 0.00 0.00 174.62 174.32 1n0t s ILE 55 N -0.81 5.17 0.05 2.99 -1.09 -1.26 -1.14 121.20 125.12 1n0t s ILE 55 Ca 0.12 0.74 -0.36 0.00 -2.23 0.00 0.00 60.65 58.92 1n0t s ILE 55 Cb -0.10 -3.75 -0.15 0.00 -1.58 0.00 0.00 42.46 36.88 1n0t s ILE 55 CO 0.02 0.22 1.51 0.55 -1.23 0.00 0.00 174.94 176.01 1n0t n VAL 56 N 4.53 0.09 -0.20 2.92 3.14 -0.28 -4.89 118.33 123.65 1n0t n VAL 56 Ca -0.07 -0.02 -0.04 0.00 -2.96 0.00 0.00 64.34 61.25 1n0t n VAL 56 Cb 0.51 -1.19 0.07 0.00 -1.06 0.00 0.00 33.84 32.16 1n0t n VAL 56 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1n0t h GLY 57 N 5.74 0.83 -0.09 7.55 0.00 -1.94 -3.04 103.07 112.12 1n0t h GLY 57 Ca -0.47 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.63 1n0t h GLY 57 CO 0.85 0.16 0.00 2.09 0.00 0.00 0.00 176.54 179.65 1n0t n ASP 58 N -4.81 1.06 -1.50 0.19 5.68 -1.26 -4.93 116.55 110.98 1n0t n ASP 58 Ca 0.06 -1.40 -0.17 0.00 -0.50 0.00 0.00 54.79 52.77 1n0t n ASP 58 Cb 0.13 -0.02 -0.06 0.00 -1.14 0.00 0.00 41.12 40.03 1n0t n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n0t n GLY 59 N 1.10 1.15 3.71 6.12 0.00 -1.15 -4.94 105.19 111.17 1n0t n GLY 59 Ca 0.19 -0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 1n0t n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n0t s LYS 60 N -3.84 2.54 -0.17 1.61 -0.14 -1.26 -5.04 119.74 113.43 1n0t s LYS 60 Ca 0.00 -1.22 -0.19 0.00 -1.36 0.00 0.00 55.97 53.20 1n0t s LYS 60 Cb 0.00 -2.35 -0.17 0.00 -1.68 0.00 0.00 37.83 33.64 1n0t s LYS 60 CO 0.00 0.40 0.28 1.88 -0.76 0.00 0.00 175.35 177.15 1n0t h TYR 61 N 1.97 0.00 0.00 3.18 -1.99 -1.92 -2.73 116.97 115.48 1n0t h TYR 61 Ca -0.46 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.27 1n0t h TYR 61 Cb 1.23 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.96 1n0t h TYR 61 CO 0.63 0.97 0.00 0.41 -0.00 0.00 0.00 178.16 180.16 1n0t n GLY 62 N 1.55 0.07 3.02 3.88 0.00 -1.26 -1.50 105.19 110.94 1n0t n GLY 62 Ca -0.19 0.62 -0.13 0.00 0.00 0.00 0.00 46.02 46.32 1n0t n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n0t s ALA 63 N 0.00 0.46 -0.25 4.61 0.00 -1.26 -4.94 121.76 120.39 1n0t s ALA 63 Ca 0.00 -0.58 -0.12 0.00 0.00 0.00 0.00 51.96 51.26 1n0t s ALA 63 Cb 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 1n0t s ALA 63 CO 0.00 -0.00 0.24 0.50 0.00 0.00 0.00 175.76 176.49 1n0t s ARG 64 N -1.14 4.05 0.13 0.00 3.52 -1.26 -1.70 118.95 122.54 1n0t s ARG 64 Ca -0.07 -0.16 -0.31 0.00 -0.13 0.00 0.00 55.73 55.05 1n0t s ARG 64 Cb -0.08 -3.59 -0.10 0.00 -1.56 0.00 0.00 34.95 29.63 1n0t s ARG 64 CO 0.00 -0.06 1.68 0.34 -0.81 0.00 0.00 175.30 176.45 1n0t s ASP 65 N 1.31 6.53 0.37 -2.12 2.15 -0.39 -4.87 116.67 119.65 1n0t s ASP 65 Ca 0.10 2.64 0.05 0.00 0.43 0.00 0.00 52.55 55.77 1n0t s ASP 65 Cb -0.15 -2.58 0.74 0.00 -0.30 0.00 0.00 42.92 40.64 1n0t s ASP 65 CO 0.07 -0.91 2.00 0.00 -0.17 0.00 0.00 175.17 176.17 1n0t h ALA 66 N 7.76 1.66 0.00 3.66 0.00 -1.96 0.61 119.26 130.98 1n0t h ALA 66 Ca -0.43 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1n0t h ALA 66 Cb 1.21 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1n0t h ALA 66 CO 0.93 0.27 -0.04 -0.44 0.00 0.00 0.00 179.25 179.97 1n0t h ASP 67 N 0.73 0.00 1.67 0.00 3.45 -1.99 -3.38 116.42 116.90 1n0t h ASP 67 Ca 0.24 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.66 1n0t h ASP 67 Cb 0.07 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.83 1n0t h ASP 67 CO -0.07 0.49 -0.20 0.71 -1.57 0.00 0.00 179.24 178.61 1n0t h THR 68 N -0.94 0.36 -1.93 0.35 1.35 -1.97 -3.47 112.91 106.66 1n0t h THR 68 Ca 0.00 -1.42 -0.36 0.00 -0.55 0.00 0.00 66.41 64.08 1n0t h THR 68 Cb 0.04 2.10 -0.06 0.00 -1.73 0.00 0.00 68.15 68.51 1n0t h THR 68 CO 0.00 0.20 -0.41 0.29 -0.25 0.00 0.00 175.52 175.35 1n0t n LYS 69 N -3.17 -1.35 -3.63 4.72 5.02 0.21 -4.97 118.16 114.98 1n0t n LYS 69 Ca 0.03 0.96 -0.38 0.00 -2.02 0.00 0.00 58.31 56.90 1n0t n LYS 69 Cb 0.58 -5.36 -0.06 0.00 -0.02 0.00 0.00 35.03 30.17 1n0t n LYS 69 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1n0t s ILE 70 N -2.81 5.22 -0.04 -0.18 1.01 -1.25 -4.72 121.20 118.42 1n0t s ILE 70 Ca 0.00 0.60 -0.21 0.00 0.00 0.00 0.00 60.65 61.04 1n0t s ILE 70 Cb 0.00 -3.60 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 1n0t s ILE 70 CO 0.00 0.58 0.60 0.26 0.00 0.00 0.00 174.94 176.38 1n0t s TRP 71 N -0.94 3.63 0.23 3.97 0.52 -1.26 -1.26 118.94 123.84 1n0t s TRP 71 Ca 0.20 1.16 0.03 0.00 0.02 0.00 0.00 56.10 57.52 1n0t s TRP 71 Cb -0.15 -2.65 0.03 0.00 -1.15 0.00 0.00 33.47 29.56 1n0t s TRP 71 CO 0.09 0.26 0.29 0.27 0.02 0.00 0.00 176.95 177.88 1n0t n ASN 72 N 3.14 1.07 0.00 2.95 0.23 -0.69 -4.24 115.26 117.72 1n0t n ASN 72 Ca -0.05 -1.66 0.00 0.00 -0.53 0.00 0.00 54.58 52.33 1n0t n ASN 72 Cb 0.51 -0.13 0.00 0.00 -2.08 0.00 0.00 39.78 38.08 1n0t n ASN 72 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1n0t n GLY 73 N 2.16 0.83 0.25 4.83 0.00 -1.26 -1.53 105.19 110.47 1n0t n GLY 73 Ca 0.05 -0.85 0.01 0.00 0.00 0.00 0.00 46.02 45.23 1n0t n GLY 73 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1n0t h MET 74 N 0.00 0.32 -0.36 1.61 2.86 -0.93 -1.68 114.93 116.74 1n0t h MET 74 Ca 0.00 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1n0t h MET 74 Cb 0.00 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 1n0t h MET 74 CO 0.00 0.44 0.21 0.28 1.06 0.00 0.00 176.91 178.90 1n0t h VAL 75 N 0.31 1.13 -0.65 -2.22 2.07 -1.52 -2.16 116.25 113.21 1n0t h VAL 75 Ca 0.06 -0.33 0.05 0.00 0.82 0.00 0.00 66.70 67.31 1n0t h VAL 75 Cb 0.38 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 1n0t h VAL 75 CO 0.02 0.14 0.37 1.23 0.02 0.00 0.00 177.57 179.34 1n0t h GLY 76 N 0.47 0.96 0.92 2.17 0.00 -0.46 0.13 103.07 107.25 1n0t h GLY 76 Ca 0.13 -0.26 0.07 0.00 0.00 0.00 0.00 47.33 47.27 1n0t h GLY 76 CO -0.02 0.16 0.54 0.83 0.00 0.00 0.00 176.54 178.05 1n0t h GLU 77 N 0.68 0.86 0.02 4.80 4.39 -0.81 -0.63 114.58 123.89 1n0t h GLU 77 Ca 0.29 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.90 1n0t h GLU 77 Cb 0.16 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1n0t h GLU 77 CO -0.17 0.57 -0.14 -0.07 -1.16 0.00 0.00 179.01 178.04 1n0t h LEU 78 N 0.89 0.10 -0.91 1.33 3.38 -0.75 0.62 115.31 119.97 1n0t h LEU 78 Ca 0.36 -0.90 0.08 0.00 0.09 0.00 0.00 57.88 57.51 1n0t h LEU 78 Cb 0.26 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 1n0t h LEU 78 CO -0.13 0.98 0.56 0.58 0.09 0.00 0.00 178.44 180.53 1n0t h VAL 79 N -0.78 1.01 -0.44 1.22 2.07 -0.53 -2.23 116.25 116.58 1n0t h VAL 79 Ca -0.02 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1n0t h VAL 79 Cb 1.02 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1n0t h VAL 79 CO 0.03 0.18 0.00 -1.22 0.02 0.00 0.00 177.57 176.58 1n0t n TYR 80 N -4.61 0.76 -3.07 1.57 4.01 -0.26 -4.94 117.16 110.61 1n0t n TYR 80 Ca 0.14 -0.34 -0.13 0.00 -0.16 0.00 0.00 57.90 57.41 1n0t n TYR 80 Cb 0.22 -0.08 0.04 0.00 -0.31 0.00 0.00 39.34 39.21 1n0t n TYR 80 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1n0t n GLY 81 N 1.04 0.12 0.03 2.72 0.00 -0.84 -4.95 105.19 103.31 1n0t n GLY 81 Ca 0.16 -0.17 0.05 0.00 0.00 0.00 0.00 46.02 46.06 1n0t n GLY 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n0t n LYS 82 N -2.96 0.69 -4.06 1.61 4.76 0.21 -4.99 118.16 113.42 1n0t n LYS 82 Ca 0.00 -0.14 -0.08 0.00 -2.87 0.00 0.00 58.31 55.22 1n0t n LYS 82 Cb 0.54 -1.49 -0.10 0.00 -1.84 0.00 0.00 35.03 32.13 1n0t n LYS 82 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1n0t s ALA 83 N -3.17 0.41 -0.04 7.82 0.00 -0.80 -4.99 121.76 120.99 1n0t s ALA 83 Ca -0.08 -1.01 0.10 0.00 0.00 0.00 0.00 51.96 50.96 1n0t s ALA 83 Cb 0.11 0.22 -0.23 0.00 0.00 0.00 0.00 23.12 23.22 1n0t s ALA 83 CO 0.83 -0.29 0.68 -0.44 0.00 0.00 0.00 175.76 176.54 1n0t h ASP 84 N 3.64 0.06 -5.00 0.00 3.32 -1.43 -3.41 116.42 113.61 1n0t h ASP 84 Ca -0.33 -0.12 -0.08 0.00 0.02 0.00 0.00 57.03 56.51 1n0t h ASP 84 Cb 1.16 -0.02 -0.19 0.00 0.22 0.00 0.00 39.33 40.50 1n0t h ASP 84 CO 0.57 1.11 -0.01 -0.51 -1.72 0.00 0.00 179.24 178.69 1n0t s ILE 85 N -2.60 0.03 -0.19 0.35 2.07 -1.08 -4.15 121.20 115.62 1n0t s ILE 85 Ca -0.06 -0.21 -0.01 0.00 -1.41 0.00 0.00 60.65 58.96 1n0t s ILE 85 Cb 0.08 -0.85 0.01 0.00 0.13 0.00 0.00 42.46 41.83 1n0t s ILE 85 CO 0.82 -0.12 -0.14 0.00 -1.91 0.00 0.00 174.94 173.59 1n0t s ALA 86 N -1.37 2.51 -0.38 1.50 0.00 0.72 -0.48 121.76 124.25 1n0t s ALA 86 Ca -0.11 -1.20 0.04 0.00 0.00 0.00 0.00 51.96 50.69 1n0t s ALA 86 Cb -0.02 -1.37 0.11 0.00 0.00 0.00 0.00 23.12 21.83 1n0t s ALA 86 CO 0.07 -0.38 0.10 0.42 0.00 0.00 0.00 175.76 175.97 1n0t s ILE 87 N 1.35 2.28 0.28 0.00 1.01 -0.93 -1.98 121.20 123.22 1n0t s ILE 87 Ca 0.05 -2.54 -0.20 0.00 0.00 0.00 0.00 60.65 57.97 1n0t s ILE 87 Cb -0.13 -2.66 0.06 0.00 0.01 0.00 0.00 42.46 39.73 1n0t s ILE 87 CO -0.09 -0.65 0.88 0.00 0.00 0.00 0.00 174.94 175.07 1n0t s ALA 88 N 0.65 -1.18 -1.38 9.38 0.00 -1.26 -4.61 121.76 123.36 1n0t s ALA 88 Ca 0.12 -0.46 -0.14 0.00 0.00 0.00 0.00 51.96 51.49 1n0t s ALA 88 Cb -0.21 0.72 -0.01 0.00 0.00 0.00 0.00 23.12 23.62 1n0t s ALA 88 CO -0.07 -1.02 2.30 -0.35 0.00 0.00 0.00 175.76 176.62 1n0t n PRO 89 N -0.57 2.78 -3.36 0.00 -0.04 -1.26 -4.65 135.00 127.90 1n0t n PRO 89 Ca -0.06 -2.41 -0.43 0.00 -0.04 0.00 0.00 63.50 60.57 1n0t n PRO 89 Cb 0.60 -3.14 -0.09 0.00 -0.04 0.00 0.00 33.50 30.82 1n0t n PRO 89 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1n0t s LEU 90 N 1.69 4.88 0.27 1.53 2.96 -1.26 -4.99 118.68 123.76 1n0t s LEU 90 Ca 0.52 -0.69 -0.30 0.00 -0.22 0.00 0.00 54.13 53.44 1n0t s LEU 90 Cb 0.15 -2.33 -0.11 0.00 0.50 0.00 0.00 46.19 44.40 1n0t s LEU 90 CO -0.06 -0.53 1.52 -0.89 -1.32 0.00 0.00 176.35 175.08 1n0t s THR 91 N 2.02 2.36 -0.27 3.68 2.01 -1.26 -1.54 115.64 122.63 1n0t s THR 91 Ca 0.10 0.30 -0.29 0.00 0.31 0.00 0.00 61.69 62.11 1n0t s THR 91 Cb -0.17 -3.19 0.01 0.00 0.01 0.00 0.00 72.50 69.15 1n0t s THR 91 CO 0.13 0.05 1.15 -0.63 -0.69 0.00 0.00 174.62 174.62 1n0t s ILE 92 N 0.05 4.42 0.13 1.82 1.01 0.41 -4.86 121.20 124.18 1n0t s ILE 92 Ca 0.62 1.66 0.02 0.00 0.00 0.00 0.00 60.65 62.95 1n0t s ILE 92 Cb -0.45 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 37.71 1n0t s ILE 92 CO 0.45 -0.37 -0.05 0.42 0.00 0.00 0.00 174.94 175.39 1n0t s THR 93 N 3.70 0.75 0.09 2.92 -4.23 -1.26 -4.71 115.64 112.90 1n0t s THR 93 Ca 0.49 -1.97 -0.29 0.00 -1.18 0.00 0.00 61.69 58.75 1n0t s THR 93 Cb -0.15 -1.84 -0.14 0.00 1.34 0.00 0.00 72.50 71.71 1n0t s THR 93 CO 0.15 -0.73 1.65 0.25 -0.54 0.00 0.00 174.62 175.40 1n0t h LEU 94 N 2.86 -0.60 -1.71 4.79 5.85 -1.98 0.42 115.31 124.94 1n0t h LEU 94 Ca -0.36 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.44 1n0t h LEU 94 Cb 1.18 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.38 1n0t h LEU 94 CO 0.64 -0.36 0.27 -0.37 -0.34 0.00 0.00 178.44 178.27 1n0t h VAL 95 N -0.56 1.00 0.11 1.05 -1.51 -2.00 -2.10 116.25 112.24 1n0t h VAL 95 Ca -0.03 -0.13 -0.29 0.00 -1.23 0.00 0.00 66.70 65.02 1n0t h VAL 95 Cb 0.48 0.59 0.03 0.00 -2.13 0.00 0.00 31.29 30.26 1n0t h VAL 95 CO 0.01 0.07 -1.20 0.03 -1.23 0.00 0.00 177.57 175.25 1n0t h ARG 96 N 0.38 0.62 0.00 5.19 3.08 -1.89 -3.21 114.38 118.55 1n0t h ARG 96 Ca 0.17 -0.81 -0.00 0.00 0.07 0.00 0.00 59.98 59.40 1n0t h ARG 96 Cb 0.19 0.27 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 1n0t h ARG 96 CO -0.04 1.37 -0.02 1.49 -1.07 0.00 0.00 179.97 181.70 1n0t h GLU 97 N 0.25 0.00 0.00 0.04 4.57 -0.33 -0.67 114.58 118.44 1n0t h GLU 97 Ca -0.18 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 1n0t h GLU 97 Cb 1.88 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.47 1n0t h GLU 97 CO 0.23 0.02 0.00 0.93 -1.18 0.00 0.00 179.01 179.01 1n0t h GLU 98 N 0.00 0.00 0.00 1.92 5.08 -1.40 -3.34 114.58 116.85 1n0t h GLU 98 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1n0t h GLU 98 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1n0t h GLU 98 CO 0.00 0.00 -0.96 1.33 -1.00 0.00 0.00 179.01 178.38 1n0t n VAL 99 N -2.97 0.00 -4.18 3.13 0.24 -0.38 -5.07 118.33 109.11 1n0t n VAL 99 Ca 0.03 -0.16 -0.12 0.00 -2.04 0.00 0.00 64.34 62.05 1n0t n VAL 99 Cb 0.40 0.54 -0.10 0.00 -1.47 0.00 0.00 33.84 33.22 1n0t n VAL 99 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1n0t s ILE 100 N -2.07 0.00 0.00 1.34 -4.36 -0.49 -4.26 121.20 111.36 1n0t s ILE 100 Ca -0.01 -1.94 -0.01 0.00 -0.26 0.00 0.00 60.65 58.43 1n0t s ILE 100 Cb 0.03 -2.47 -0.04 0.00 1.25 0.00 0.00 42.46 41.23 1n0t s ILE 100 CO 0.16 0.00 0.15 -1.81 0.24 0.00 0.00 174.94 173.68 1n0t s ASP 101 N -3.15 6.09 0.01 4.36 1.01 -0.40 -4.30 116.67 120.29 1n0t s ASP 101 Ca 0.37 0.25 0.07 0.00 0.71 0.00 0.00 52.55 53.95 1n0t s ASP 101 Cb 0.06 -1.84 -0.02 0.00 1.01 0.00 0.00 42.92 42.13 1n0t s ASP 101 CO 0.12 0.25 -0.21 -0.36 0.21 0.00 0.00 175.17 175.18 1n0t s PHE 102 N -1.30 1.83 0.86 4.23 0.08 -1.26 -1.55 117.98 120.87 1n0t s PHE 102 Ca 0.27 -0.36 -0.13 0.00 0.12 0.00 0.00 56.93 56.83 1n0t s PHE 102 Cb -0.12 -1.15 0.12 0.00 -0.57 0.00 0.00 43.02 41.29 1n0t s PHE 102 CO 0.18 0.01 1.21 -1.54 -0.10 0.00 0.00 175.22 174.99 1n0t s SER 103 N -0.73 4.06 0.83 1.36 1.04 0.08 -4.94 113.70 115.40 1n0t s SER 103 Ca 0.08 0.66 -0.12 0.00 0.48 0.00 0.00 55.95 57.05 1n0t s SER 103 Cb -0.08 -1.04 0.09 0.00 0.10 0.00 0.00 66.02 65.10 1n0t s SER 103 CO 0.00 -2.17 1.16 -0.54 0.98 0.00 0.00 173.24 172.67 1n0t s LYS 104 N -5.64 1.61 0.32 4.02 -0.14 -1.26 -4.49 119.74 114.15 1n0t s LYS 104 Ca 0.65 1.56 -0.29 0.00 -1.36 0.00 0.00 55.97 56.53 1n0t s LYS 104 Cb -0.09 -1.79 -0.11 0.00 -1.68 0.00 0.00 37.83 34.16 1n0t s LYS 104 CO 0.50 -2.20 1.51 -1.25 -0.76 0.00 0.00 175.35 173.15 1n0t s PRO 105 N -4.44 4.15 0.00 -1.68 0.04 -1.26 -4.58 135.00 127.24 1n0t s PRO 105 Ca 0.68 2.51 0.22 0.00 0.04 0.00 0.00 61.00 64.45 1n0t s PRO 105 Cb -0.24 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.26 1n0t s PRO 105 CO 0.53 -0.53 1.04 1.97 0.04 0.00 0.00 177.00 180.05 1n0t n PHE 106 N 1.38 0.00 -3.64 0.56 1.16 -0.31 -4.94 117.46 111.67 1n0t n PHE 106 Ca 0.04 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.48 1n0t n PHE 106 Cb 0.39 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.18 1n0t n PHE 106 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 1n0t s MET 107 N -2.45 0.78 0.09 3.97 0.00 -1.25 -4.96 119.30 115.49 1n0t s MET 107 Ca 0.17 0.80 0.03 0.00 0.00 0.00 0.00 55.69 56.69 1n0t s MET 107 Cb 0.17 0.38 -0.04 0.00 0.00 0.00 0.00 34.83 35.34 1n0t s MET 107 CO 0.58 -0.12 0.11 -1.12 0.00 0.00 0.00 175.02 174.47 1n0t s SER 108 N 0.13 5.68 0.39 1.11 0.01 -1.26 -1.49 113.70 118.27 1n0t s SER 108 Ca -0.02 0.02 -0.13 0.00 1.31 0.00 0.00 55.95 57.14 1n0t s SER 108 Cb -0.04 -1.56 0.05 0.00 0.21 0.00 0.00 66.02 64.68 1n0t s SER 108 CO 0.02 0.15 0.74 -1.48 0.41 0.00 0.00 173.24 173.08 1n0t s LEU 109 N -2.55 0.21 0.00 2.44 2.34 -0.06 -4.83 118.68 116.23 1n0t s LEU 109 Ca 0.31 -1.25 -0.29 0.00 0.06 0.00 0.00 54.13 52.95 1n0t s LEU 109 Cb -0.12 2.62 0.10 0.00 -0.56 0.00 0.00 46.19 48.24 1n0t s LEU 109 CO 0.23 -1.65 1.07 -0.83 -1.06 0.00 0.00 176.35 174.11 1n0t s GLY 110 N -3.11 -0.35 0.21 -3.48 0.00 -1.26 -0.77 107.32 98.55 1n0t s GLY 110 Ca 0.18 0.79 -0.30 0.00 0.00 0.00 0.00 44.72 45.39 1n0t s GLY 110 CO 0.14 0.22 1.35 -0.42 0.00 0.00 0.00 173.10 174.39 1n0t s ILE 111 N -2.86 3.06 0.22 0.90 1.01 -1.26 -0.18 121.20 122.09 1n0t s ILE 111 Ca 0.10 0.87 -0.00 0.00 0.00 0.00 0.00 60.65 61.62 1n0t s ILE 111 Cb 0.00 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 1n0t s ILE 111 CO -0.04 0.13 0.12 -0.94 0.00 0.00 0.00 174.94 174.21 1n0t s SER 112 N 0.41 0.49 -0.19 3.58 1.04 0.58 -0.11 113.70 119.50 1n0t s SER 112 Ca 0.58 -1.39 -0.06 0.00 0.48 0.00 0.00 55.95 55.56 1n0t s SER 112 Cb -0.38 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.03 1n0t s SER 112 CO 0.39 -0.81 0.02 -0.63 0.98 0.00 0.00 173.24 173.19 1n0t s ILE 113 N -4.03 4.23 -0.17 -1.02 1.01 -1.26 -1.41 121.20 118.55 1n0t s ILE 113 Ca 0.39 -0.22 -0.05 0.00 0.00 0.00 0.00 60.65 60.77 1n0t s ILE 113 Cb 0.07 -2.91 -0.03 0.00 0.01 0.00 0.00 42.46 39.60 1n0t s ILE 113 CO 0.13 0.43 -0.01 -0.32 0.00 0.00 0.00 174.94 175.17 1n0t s MET 114 N 0.81 3.72 0.10 2.79 -2.45 0.72 -2.07 119.30 122.92 1n0t s MET 114 Ca 0.01 -0.48 0.05 0.00 -1.25 0.00 0.00 55.69 54.02 1n0t s MET 114 Cb -0.14 -3.02 -0.03 0.00 1.25 0.00 0.00 34.83 32.88 1n0t s MET 114 CO 0.02 0.19 -0.12 0.96 1.05 0.00 0.00 175.02 177.12 1n0t s ILE 115 N 0.53 1.10 0.14 10.11 -4.36 -0.78 -1.16 121.20 126.79 1n0t s ILE 115 Ca -0.01 -1.57 -0.30 0.00 -0.26 0.00 0.00 60.65 58.51 1n0t s ILE 115 Cb -0.14 -1.32 -0.07 0.00 1.25 0.00 0.00 42.46 42.18 1n0t s ILE 115 CO 0.02 -0.42 1.02 -0.75 0.24 0.00 0.00 174.94 175.05 1n0t s LYS 116 N -2.45 4.66 0.28 0.37 2.20 -1.26 -1.33 119.74 122.20 1n0t s LYS 116 Ca 0.04 1.57 -0.28 0.00 -0.36 0.00 0.00 55.97 56.94 1n0t s LYS 116 Cb -0.06 -3.33 -0.14 0.00 -1.51 0.00 0.00 37.83 32.79 1n0t s LYS 116 CO 0.02 0.16 0.93 1.63 -0.36 0.00 0.00 175.35 177.73 1n0t n LYS 117 N 2.60 1.14 0.00 4.03 5.02 0.33 -2.07 118.16 129.21 1n0t n LYS 117 Ca 0.02 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 1n0t n LYS 117 Cb 0.48 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 1n0t n LYS 117 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n0t n GLY 118 N 1.34 0.93 3.69 0.72 0.00 -1.26 -4.94 105.19 105.67 1n0t n GLY 118 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1n0t n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n0t s THR 119 N -2.26 3.75 -1.17 2.61 2.01 -0.88 -4.90 115.64 114.80 1n0t s THR 119 Ca 0.00 1.16 -0.10 0.00 0.31 0.00 0.00 61.69 63.06 1n0t s THR 119 Cb 0.00 -3.74 -0.07 0.00 0.01 0.00 0.00 72.50 68.70 1n0t s THR 119 CO 0.00 0.01 2.36 -0.81 -0.69 0.00 0.00 174.62 175.49 1n0t n PRO 120 N 5.09 2.59 -3.76 4.92 -0.04 -1.26 -4.80 135.00 137.74 1n0t n PRO 120 Ca 0.12 -1.86 -0.15 0.00 -0.04 0.00 0.00 63.50 61.57 1n0t n PRO 120 Cb 0.44 -2.71 -0.15 0.00 -0.04 0.00 0.00 33.50 31.03 1n0t n PRO 120 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1n0t s ILE 121 N 3.22 -0.06 -0.06 0.52 -1.09 -1.26 -5.02 121.20 117.45 1n0t s ILE 121 Ca 0.52 0.22 0.03 0.00 -2.23 0.00 0.00 60.65 59.19 1n0t s ILE 121 Cb 0.14 -0.15 -0.05 0.00 -1.58 0.00 0.00 42.46 40.82 1n0t s ILE 121 CO -0.03 0.09 0.10 -0.62 -1.23 0.00 0.00 174.94 173.25 1n0t n GLU 122 N 4.26 2.12 -3.95 2.79 1.02 -1.26 -4.94 120.64 120.68 1n0t n GLU 122 Ca -0.26 -0.02 -0.10 0.00 -0.02 0.00 0.00 57.16 56.76 1n0t n GLU 122 Cb 0.51 -0.93 -0.03 0.00 -0.02 0.00 0.00 31.44 30.96 1n0t n GLU 122 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1n0t s SER 123 N -2.02 0.08 0.24 1.62 1.04 -1.26 -2.58 113.70 110.82 1n0t s SER 123 Ca -0.00 -1.01 -0.04 0.00 0.48 0.00 0.00 55.95 55.38 1n0t s SER 123 Cb 0.02 0.68 0.27 0.00 0.10 0.00 0.00 66.02 67.09 1n0t s SER 123 CO 0.14 -1.32 1.72 0.00 0.98 0.00 0.00 173.24 174.76 1n0t h ALA 124 N 2.13 1.03 -0.61 5.32 0.00 -1.93 -2.50 119.26 122.69 1n0t h ALA 124 Ca -0.26 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.39 1n0t h ALA 124 Cb 1.25 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1n0t h ALA 124 CO 0.35 0.60 0.37 1.49 0.00 0.00 0.00 179.25 182.06 1n0t h GLU 125 N 0.78 0.71 -0.52 0.00 4.81 -1.96 -0.50 114.58 117.91 1n0t h GLU 125 Ca 0.15 -0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.41 1n0t h GLU 125 Cb 0.50 -0.16 -0.07 0.00 0.63 0.00 0.00 28.75 29.66 1n0t h GLU 125 CO 0.03 0.47 0.15 -0.44 -0.73 0.00 0.00 179.01 178.48 1n0t h ASP 126 N 0.73 0.10 -0.34 1.04 3.32 -1.86 -1.95 116.42 117.47 1n0t h ASP 126 Ca 0.24 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.36 1n0t h ASP 126 Cb 0.02 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1n0t h ASP 126 CO -0.10 0.08 0.18 -0.07 -1.72 0.00 0.00 179.24 177.61 1n0t h LEU 127 N 0.30 0.42 -2.46 1.55 3.38 -1.12 -2.99 115.31 114.40 1n0t h LEU 127 Ca 0.26 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1n0t h LEU 127 Cb 0.32 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1n0t h LEU 127 CO -0.30 0.39 -0.01 0.77 0.09 0.00 0.00 178.44 179.39 1n0t h SER 128 N 0.42 0.00 -0.02 -0.43 4.64 -0.38 -2.10 113.55 115.68 1n0t h SER 128 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1n0t h SER 128 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1n0t h SER 128 CO -0.02 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.24 1n0t n LYS 129 N -3.79 1.52 -4.13 4.77 5.02 -0.89 -4.88 118.16 115.79 1n0t n LYS 129 Ca -0.03 -0.75 -0.13 0.00 -2.02 0.00 0.00 58.31 55.39 1n0t n LYS 129 Cb 0.09 -1.48 -0.07 0.00 -0.02 0.00 0.00 35.03 33.56 1n0t n LYS 129 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1n0t s GLN 130 N -1.99 1.51 0.00 1.97 1.03 -0.79 -5.05 119.66 116.34 1n0t s GLN 130 Ca 0.40 -1.59 0.00 0.00 0.04 0.00 0.00 55.36 54.20 1n0t s GLN 130 Cb 0.21 0.37 0.00 0.00 0.03 0.00 0.00 33.01 33.62 1n0t s GLN 130 CO 0.34 -0.57 0.04 0.25 -2.54 0.00 0.00 175.29 172.80 1n0t n THR 131 N -0.40 0.00 -0.07 3.63 -2.24 -1.26 -4.83 114.28 109.11 1n0t n THR 131 Ca 0.01 -0.07 -0.08 0.00 -2.27 0.00 0.00 64.05 61.64 1n0t n THR 131 Cb 0.63 1.49 -0.01 0.00 -2.10 0.00 0.00 70.33 70.34 1n0t n THR 131 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1n0t h GLU 132 N 0.00 0.28 -4.79 -0.78 4.57 -1.96 -3.34 114.58 108.55 1n0t h GLU 132 Ca 0.00 -0.02 -0.70 0.00 -1.18 0.00 0.00 59.36 57.46 1n0t h GLU 132 Cb 0.25 -0.06 -0.19 0.00 -0.16 0.00 0.00 28.75 28.58 1n0t h GLU 132 CO 0.00 0.18 -0.10 0.42 -1.18 0.00 0.00 179.01 178.33 1n0t s ILE 133 N -6.17 5.01 0.65 2.32 1.01 -1.26 -4.92 121.20 117.84 1n0t s ILE 133 Ca -0.13 -0.58 -0.15 0.00 0.00 0.00 0.00 60.65 59.79 1n0t s ILE 133 Cb 0.10 -4.19 -0.01 0.00 0.01 0.00 0.00 42.46 38.37 1n0t s ILE 133 CO 0.70 -0.65 1.10 0.00 0.00 0.00 0.00 174.94 176.09 1n0t s ALA 134 N 2.27 2.53 -0.07 9.38 0.00 -0.02 -4.81 121.76 131.05 1n0t s ALA 134 Ca 0.12 0.50 -0.16 0.00 0.00 0.00 0.00 51.96 52.42 1n0t s ALA 134 Cb -0.20 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.66 1n0t s ALA 134 CO 0.11 -1.18 0.38 1.52 0.00 0.00 0.00 175.76 176.59 1n0t s TYR 135 N -2.38 -0.32 0.00 0.00 -0.85 -1.26 -0.16 117.35 112.38 1n0t s TYR 135 Ca 0.66 0.64 0.00 0.00 -0.52 0.00 0.00 57.07 57.85 1n0t s TYR 135 Cb -0.19 0.15 0.00 0.00 0.38 0.00 0.00 41.96 42.29 1n0t s TYR 135 CO 0.41 -0.35 0.00 0.41 -1.52 0.00 0.00 175.55 174.50 1n0t n GLY 136 N 1.81 2.63 2.60 5.49 0.00 -0.90 -4.77 105.19 112.04 1n0t n GLY 136 Ca -0.18 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.64 1n0t n GLY 136 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n0t n THR 137 N 0.00 0.00 -1.93 2.61 -2.24 -1.24 -1.40 114.28 110.08 1n0t n THR 137 Ca 0.00 -1.56 -0.38 0.00 -2.27 0.00 0.00 64.05 59.84 1n0t n THR 137 Cb 0.00 0.89 0.03 0.00 -2.10 0.00 0.00 70.33 69.15 1n0t n THR 137 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1n0t s LEU 138 N 0.00 3.85 0.00 3.22 1.43 -1.26 -1.88 118.68 124.04 1n0t s LEU 138 Ca 0.26 2.60 0.08 0.00 -1.03 0.00 0.00 54.13 56.03 1n0t s LEU 138 Cb -0.00 -4.33 0.45 0.00 0.03 0.00 0.00 46.19 42.35 1n0t s LEU 138 CO 0.18 -1.44 0.96 -0.90 0.23 0.00 0.00 176.35 175.38 1n0t n ASP 139 N -1.02 0.00 -3.46 2.29 5.68 0.35 -4.62 116.55 115.78 1n0t n ASP 139 Ca 0.10 -0.16 -0.11 0.00 -0.50 0.00 0.00 54.79 54.12 1n0t n ASP 139 Cb 0.46 -0.06 -0.02 0.00 -1.14 0.00 0.00 41.12 40.37 1n0t n ASP 139 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1n0t s SER 140 N -2.11 -0.50 0.00 -1.12 1.04 -1.26 -5.06 113.70 104.68 1n0t s SER 140 Ca 0.11 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1n0t s SER 140 Cb 0.05 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1n0t s SER 140 CO 0.10 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1n0t n GLY 141 N -0.34 0.86 0.18 7.32 0.00 -1.26 -4.73 105.19 107.21 1n0t n GLY 141 Ca -0.14 -2.28 0.03 0.00 0.00 0.00 0.00 46.02 43.63 1n0t n GLY 141 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1n0t h SER 142 N 0.00 0.00 -0.00 1.61 4.64 -1.98 -2.28 113.55 115.54 1n0t h SER 142 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n0t h SER 142 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1n0t h SER 142 CO 0.00 0.44 -0.00 0.74 -0.87 0.00 0.00 176.83 177.14 1n0t h THR 143 N 0.00 1.28 -0.54 2.95 2.02 -1.95 0.31 112.91 116.98 1n0t h THR 143 Ca -0.00 -0.84 0.05 0.00 0.77 0.00 0.00 66.41 66.39 1n0t h THR 143 Cb 0.88 1.85 -0.05 0.00 -1.74 0.00 0.00 68.15 69.09 1n0t h THR 143 CO 0.06 0.22 0.26 0.50 0.37 0.00 0.00 175.52 176.93 1n0t h LYS 144 N -0.35 0.49 -0.43 6.66 3.64 -1.80 -1.79 116.57 122.99 1n0t h LYS 144 Ca 0.00 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 1n0t h LYS 144 Cb 0.36 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1n0t h LYS 144 CO 0.00 0.32 -0.01 0.93 -2.27 0.00 0.00 179.45 178.43 1n0t h GLU 145 N 0.50 0.69 -0.54 1.90 4.39 -1.25 -1.38 114.58 118.89 1n0t h GLU 145 Ca 0.24 -0.18 0.08 0.00 0.34 0.00 0.00 59.36 59.85 1n0t h GLU 145 Cb 0.18 -0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 28.67 1n0t h GLU 145 CO -0.18 0.71 0.17 0.35 -1.16 0.00 0.00 179.01 178.91 1n0t h PHE 146 N 0.65 0.30 -0.15 4.33 3.57 0.49 -0.74 116.94 125.40 1n0t h PHE 146 Ca 0.13 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.59 1n0t h PHE 146 Cb 0.42 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 1n0t h PHE 146 CO 0.02 0.07 -0.18 0.74 -2.23 0.00 0.00 178.31 176.72 1n0t h PHE 147 N 0.34 0.47 -0.98 0.41 0.04 -1.12 -1.19 116.94 114.90 1n0t h PHE 147 Ca 0.27 -0.15 0.17 0.00 2.80 0.00 0.00 57.97 61.06 1n0t h PHE 147 Cb 0.32 -0.09 -0.10 0.00 2.20 0.00 0.00 35.95 38.28 1n0t h PHE 147 CO -0.18 0.80 0.59 -0.09 -0.60 0.00 0.00 178.31 178.83 1n0t h ARG 148 N 0.00 0.78 -0.00 1.51 2.43 -0.80 -2.93 114.38 115.37 1n0t h ARG 148 Ca 0.02 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1n0t h ARG 148 Cb 0.74 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1n0t h ARG 148 CO 0.04 0.51 -0.76 0.54 -1.51 0.00 0.00 179.97 178.79 1n0t n ARG 149 N -4.75 0.38 -1.83 0.20 5.12 -0.32 -5.00 116.66 110.47 1n0t n ARG 149 Ca 0.21 -0.31 -0.41 0.00 -1.93 0.00 0.00 57.85 55.42 1n0t n ARG 149 Cb 0.50 -1.49 -0.00 0.00 -1.16 0.00 0.00 32.46 30.31 1n0t n ARG 149 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1n0t s SER 150 N -2.83 6.35 0.00 0.55 0.15 -0.46 -4.90 113.70 112.56 1n0t s SER 150 Ca 0.12 3.02 0.23 0.00 0.70 0.00 0.00 55.95 60.02 1n0t s SER 150 Cb 0.17 -2.67 0.06 0.00 -1.71 0.00 0.00 66.02 61.88 1n0t s SER 150 CO 0.75 -0.87 1.14 0.29 1.20 0.00 0.00 173.24 175.75 1n0t n LYS 151 N 0.44 1.36 -2.37 5.44 5.02 -1.26 -4.50 118.16 122.28 1n0t n LYS 151 Ca 0.01 -1.11 -0.42 0.00 -2.02 0.00 0.00 58.31 54.77 1n0t n LYS 151 Cb 0.40 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.90 1n0t n LYS 151 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1n0t s ILE 152 N -2.41 4.03 0.17 -0.18 -1.09 -1.26 -4.92 121.20 115.53 1n0t s ILE 152 Ca 0.20 1.40 -0.24 0.00 -2.23 0.00 0.00 60.65 59.78 1n0t s ILE 152 Cb 0.18 -3.90 0.06 0.00 -1.58 0.00 0.00 42.46 37.22 1n0t s ILE 152 CO 0.53 0.02 1.58 0.00 -1.23 0.00 0.00 174.94 175.84 1n0t h ALA 153 N 7.44 -0.23 -0.13 9.38 0.00 -1.99 0.20 119.26 133.94 1n0t h ALA 153 Ca -0.37 0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.69 1n0t h ALA 153 Cb 1.18 0.80 -0.04 0.00 0.00 0.00 0.00 17.79 19.73 1n0t h ALA 153 CO 0.88 -0.76 -0.10 0.28 0.00 0.00 0.00 179.25 179.54 1n0t h VAL 154 N -0.25 0.71 -0.39 0.00 2.07 -1.99 -0.75 116.25 115.65 1n0t h VAL 154 Ca 0.18 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.62 1n0t h VAL 154 Cb 0.56 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1n0t h VAL 154 CO -0.60 0.00 -0.09 -0.26 0.02 0.00 0.00 177.57 176.64 1n0t h PHE 155 N -0.11 0.73 -0.51 1.57 0.04 -1.81 -1.49 116.94 115.36 1n0t h PHE 155 Ca 0.08 -0.12 -0.11 0.00 2.80 0.00 0.00 57.97 60.63 1n0t h PHE 155 Cb 0.23 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 1n0t h PHE 155 CO -0.23 0.74 -0.10 0.22 -0.60 0.00 0.00 178.31 178.35 1n0t h ASP 156 N 0.62 0.94 -0.60 2.17 3.58 -0.30 -0.52 116.42 122.32 1n0t h ASP 156 Ca 0.11 -0.30 -0.07 0.00 0.42 0.00 0.00 57.03 57.19 1n0t h ASP 156 Cb 0.52 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.29 1n0t h ASP 156 CO 0.03 1.05 0.10 0.50 -2.88 0.00 0.00 179.24 178.04 1n0t h LYS 157 N 0.85 1.00 -0.90 0.28 3.64 -0.86 -1.44 116.57 119.14 1n0t h LYS 157 Ca 0.14 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1n0t h LYS 157 Cb 0.64 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 1n0t h LYS 157 CO 0.04 0.94 0.53 0.52 -2.27 0.00 0.00 179.45 179.22 1n0t h MET 158 N 0.90 1.24 -0.11 1.90 2.86 -0.93 -1.54 114.93 119.24 1n0t h MET 158 Ca 0.18 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1n0t h MET 158 Cb 0.43 -0.26 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 1n0t h MET 158 CO 0.01 0.87 0.04 2.35 1.06 0.00 0.00 176.91 181.25 1n0t h TRP 159 N 1.25 0.17 -0.80 -0.22 2.91 -0.64 -1.02 115.95 117.60 1n0t h TRP 159 Ca 0.32 -0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.35 1n0t h TRP 159 Cb -0.03 -0.05 -0.04 0.00 -0.51 0.00 0.00 29.16 28.52 1n0t h TRP 159 CO 0.01 0.28 0.53 1.15 -1.03 0.00 0.00 178.44 179.37 1n0t h THR 160 N 0.02 1.18 0.27 2.65 2.02 -0.96 -0.57 112.91 117.53 1n0t h THR 160 Ca 0.04 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 1n0t h THR 160 Cb 0.18 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 1n0t h THR 160 CO -0.00 0.19 -0.13 0.22 0.37 0.00 0.00 175.52 176.17 1n0t h TYR 161 N 1.05 -0.34 -0.83 3.16 3.20 -1.12 -2.82 116.97 119.27 1n0t h TYR 161 Ca 0.30 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.22 1n0t h TYR 161 Cb -0.07 0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.25 1n0t h TYR 161 CO -0.00 -0.03 0.51 0.52 -1.64 0.00 0.00 178.16 177.51 1n0t h MET 162 N -0.66 0.90 -0.10 1.82 2.86 -0.82 0.19 114.93 119.12 1n0t h MET 162 Ca -0.04 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.47 1n0t h MET 162 Cb 0.46 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1n0t h MET 162 CO 0.06 0.60 -0.27 -0.09 1.06 0.00 0.00 176.91 178.27 1n0t h ARG 163 N 0.93 0.19 -0.02 1.72 2.43 -1.14 -3.12 114.38 115.37 1n0t h ARG 163 Ca 0.36 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1n0t h ARG 163 Cb 0.17 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1n0t h ARG 163 CO -0.17 0.45 -0.32 -1.13 -1.51 0.00 0.00 179.97 177.29 1n0t n SER 164 N -4.16 1.98 -4.75 -3.80 3.41 -0.90 -5.00 113.62 100.40 1n0t n SER 164 Ca -0.01 -1.49 -0.41 0.00 -0.26 0.00 0.00 58.87 56.70 1n0t n SER 164 Cb 0.36 0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 64.66 1n0t n SER 164 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n0t s ALA 165 N -2.05 3.52 -0.04 7.33 0.00 0.63 -5.04 121.76 126.10 1n0t s ALA 165 Ca 0.17 1.17 0.02 0.00 0.00 0.00 0.00 51.96 53.32 1n0t s ALA 165 Cb 0.15 -3.47 0.02 0.00 0.00 0.00 0.00 23.12 19.82 1n0t s ALA 165 CO 0.43 -0.56 -0.07 -1.21 0.00 0.00 0.00 175.76 174.35 1n0t s GLU 166 N -0.93 0.97 0.97 0.00 2.02 -1.26 -3.73 118.70 116.74 1n0t s GLU 166 Ca 0.53 -0.20 -0.11 0.00 0.02 0.00 0.00 54.97 55.20 1n0t s GLU 166 Cb -0.38 -0.91 0.18 0.00 0.10 0.00 0.00 34.13 33.12 1n0t s GLU 166 CO 0.45 -0.01 1.10 -2.14 0.02 0.00 0.00 175.26 174.68 1n0t s PRO 167 N 0.65 0.58 0.16 0.39 0.02 -1.26 -5.06 135.00 130.47 1n0t s PRO 167 Ca -0.10 1.22 -0.34 0.00 0.02 0.00 0.00 61.00 61.80 1n0t s PRO 167 Cb -0.13 -1.70 -0.14 0.00 0.02 0.00 0.00 34.50 32.55 1n0t s PRO 167 CO 0.01 -2.83 1.54 0.45 -0.33 0.00 0.00 177.00 175.84 1n0t n SER 168 N -4.34 2.90 -0.61 2.53 2.88 -1.24 -4.87 113.62 110.87 1n0t n SER 168 Ca 0.08 1.09 0.13 0.00 -1.33 0.00 0.00 58.87 58.84 1n0t n SER 168 Cb 0.53 -1.40 0.41 0.00 -0.75 0.00 0.00 64.21 63.00 1n0t n SER 168 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1n0t n VAL 169 N 3.23 0.07 -3.13 2.46 0.24 -1.26 -4.90 118.33 115.04 1n0t n VAL 169 Ca 0.17 -0.34 -0.30 0.00 -2.04 0.00 0.00 64.34 61.83 1n0t n VAL 169 Cb 0.28 0.65 -0.03 0.00 -1.47 0.00 0.00 33.84 33.27 1n0t n VAL 169 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1n0t s PHE 170 N -1.93 3.47 0.15 6.34 0.08 -1.26 -3.66 117.98 121.16 1n0t s PHE 170 Ca 0.35 0.86 0.07 0.00 0.12 0.00 0.00 56.93 58.33 1n0t s PHE 170 Cb 0.20 -2.28 -0.04 0.00 -0.57 0.00 0.00 43.02 40.33 1n0t s PHE 170 CO 0.31 0.06 -0.15 0.14 -0.10 0.00 0.00 175.22 175.48 1n0t s VAL 171 N -2.18 1.52 0.11 -0.44 -7.23 -0.79 -4.86 120.40 106.53 1n0t s VAL 171 Ca 0.48 -1.87 0.02 0.00 -1.81 0.00 0.00 61.98 58.80 1n0t s VAL 171 Cb -0.11 -1.72 -0.23 0.00 0.56 0.00 0.00 36.38 34.88 1n0t s VAL 171 CO 0.29 -0.44 1.23 -0.09 -0.31 0.00 0.00 175.10 175.79 1n0t h ARG 172 N 3.24 0.12 -4.50 4.82 2.43 -1.96 0.10 114.38 118.64 1n0t h ARG 172 Ca -0.40 -0.19 -0.20 0.00 -0.81 0.00 0.00 59.98 58.37 1n0t h ARG 172 Cb 1.20 0.07 -0.15 0.00 -0.42 0.00 0.00 29.97 30.67 1n0t h ARG 172 CO 0.53 1.08 -0.65 0.95 -1.51 0.00 0.00 179.97 180.37 1n0t s THR 173 N -2.72 0.25 0.11 0.20 -4.23 -1.26 -4.77 115.64 103.22 1n0t s THR 173 Ca -0.01 -1.92 -0.20 0.00 -1.18 0.00 0.00 61.69 58.38 1n0t s THR 173 Cb 0.09 -2.01 -0.08 0.00 1.34 0.00 0.00 72.50 71.83 1n0t s THR 173 CO 0.85 -0.52 1.77 0.74 -0.54 0.00 0.00 174.62 176.91 1n0t h THR 174 N 2.85 1.05 -0.55 3.99 2.02 -2.00 -1.73 112.91 118.54 1n0t h THR 174 Ca -0.35 -0.09 0.07 0.00 0.77 0.00 0.00 66.41 66.81 1n0t h THR 174 Cb 1.19 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.39 1n0t h THR 174 CO 0.61 0.04 0.37 0.00 0.37 0.00 0.00 175.52 176.91 1n0t h ALA 175 N 1.05 1.94 -0.28 6.16 0.00 -1.99 -0.90 119.26 125.24 1n0t h ALA 175 Ca 0.06 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 1n0t h ALA 175 Cb -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1n0t h ALA 175 CO -0.01 -0.05 -0.56 1.49 0.00 0.00 0.00 179.25 180.12 1n0t h GLU 176 N 0.44 0.86 -0.45 0.00 4.81 -1.81 -1.59 114.58 116.83 1n0t h GLU 176 Ca 0.25 -0.55 -0.03 0.00 -0.13 0.00 0.00 59.36 58.90 1n0t h GLU 176 Cb 0.39 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 1n0t h GLU 176 CO -0.07 1.19 0.18 0.78 -0.73 0.00 0.00 179.01 180.36 1n0t h GLY 177 N 0.71 0.72 1.03 1.92 0.00 -0.34 0.42 103.07 107.53 1n0t h GLY 177 Ca 0.01 -0.39 -0.10 0.00 0.00 0.00 0.00 47.33 46.85 1n0t h GLY 177 CO 0.12 0.37 -0.08 -2.08 0.00 0.00 0.00 176.54 174.88 1n0t h VAL 178 N 0.58 1.27 -0.78 4.60 2.07 -1.31 -2.09 116.25 120.59 1n0t h VAL 178 Ca 0.15 -1.19 -0.04 0.00 0.82 0.00 0.00 66.70 66.44 1n0t h VAL 178 Cb 0.19 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 1n0t h VAL 178 CO -0.01 0.41 0.33 0.00 0.02 0.00 0.00 177.57 178.32 1n0t h ALA 179 N 0.90 1.10 -0.42 1.67 0.00 -1.10 -1.71 119.26 119.69 1n0t h ALA 179 Ca 0.13 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1n0t h ALA 179 Cb 0.62 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1n0t h ALA 179 CO 0.04 0.65 0.01 -0.09 0.00 0.00 0.00 179.25 179.86 1n0t h ARG 180 N 1.13 0.68 0.05 0.00 2.43 -0.65 -1.34 114.38 116.69 1n0t h ARG 180 Ca 0.26 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1n0t h ARG 180 Cb 0.19 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1n0t h ARG 180 CO -0.02 0.69 -0.03 0.28 -1.51 0.00 0.00 179.97 179.38 1n0t h VAL 181 N 0.64 1.12 0.00 0.20 2.07 -0.82 -2.40 116.25 117.07 1n0t h VAL 181 Ca 0.13 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 1n0t h VAL 181 Cb 0.39 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1n0t h VAL 181 CO 0.01 0.14 -0.01 0.03 0.02 0.00 0.00 177.57 177.77 1n0t h ARG 182 N -0.32 0.00 -0.40 1.57 3.08 -1.08 -2.98 114.38 114.24 1n0t h ARG 182 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1n0t h ARG 182 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1n0t h ARG 182 CO 0.01 0.01 0.00 0.36 -1.07 0.00 0.00 179.97 179.28 1n0t n LYS 183 N -4.47 2.56 -0.38 0.04 -0.00 -0.53 -4.44 118.16 110.94 1n0t n LYS 183 Ca -0.03 -2.11 0.12 0.00 -0.00 0.00 0.00 58.31 56.28 1n0t n LYS 183 Cb 0.10 -1.35 0.32 0.00 -0.00 0.00 0.00 35.03 34.10 1n0t n LYS 183 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1n0t n SER 184 N 0.87 3.90 -4.10 -5.58 7.64 -0.91 -4.95 113.62 110.49 1n0t n SER 184 Ca 0.15 -2.01 -0.34 0.00 1.01 0.00 0.00 58.87 57.67 1n0t n SER 184 Cb 0.47 -0.49 -0.01 0.00 -1.01 0.00 0.00 64.21 63.18 1n0t n SER 184 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1n0t n LYS 185 N 1.60 -4.10 -0.91 1.43 5.02 -1.26 -0.77 118.16 119.17 1n0t n LYS 185 Ca 0.24 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.99 1n0t n LYS 185 Cb 0.62 -5.26 0.00 0.00 -0.02 0.00 0.00 35.03 30.37 1n0t n LYS 185 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n0t n GLY 186 N -1.51 0.52 1.29 0.72 0.00 -1.26 -4.92 105.19 100.03 1n0t n GLY 186 Ca 0.06 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.95 1n0t n GLY 186 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n0t n LYS 187 N -2.91 2.65 -3.74 1.61 4.76 0.05 -4.86 118.16 115.71 1n0t n LYS 187 Ca 0.00 -2.53 -0.14 0.00 -2.87 0.00 0.00 58.31 52.77 1n0t n LYS 187 Cb 0.00 -1.55 -0.15 0.00 -1.84 0.00 0.00 35.03 31.49 1n0t n LYS 187 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1n0t s TYR 188 N -1.21 -0.15 -0.03 2.13 5.04 -1.25 -0.84 117.35 121.04 1n0t s TYR 188 Ca 0.45 0.47 0.05 0.00 -2.44 0.00 0.00 57.07 55.60 1n0t s TYR 188 Cb 0.25 -0.12 -0.03 0.00 0.35 0.00 0.00 41.96 42.42 1n0t s TYR 188 CO 0.33 -0.17 -0.16 0.00 -1.34 0.00 0.00 175.55 174.21 1n0t s ALA 189 N 1.29 2.60 -0.11 3.97 0.00 0.77 -4.56 121.76 125.72 1n0t s ALA 189 Ca -0.08 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 50.87 1n0t s ALA 189 Cb -0.12 -0.88 -0.01 0.00 0.00 0.00 0.00 23.12 22.11 1n0t s ALA 189 CO -0.06 0.56 -0.19 -0.47 0.00 0.00 0.00 175.76 175.60 1n0t s TYR 190 N -0.76 2.67 -0.25 0.00 5.04 -0.30 -2.12 117.35 121.63 1n0t s TYR 190 Ca 0.12 -0.81 -0.14 0.00 -2.44 0.00 0.00 57.07 53.80 1n0t s TYR 190 Cb -0.11 -1.76 -0.04 0.00 0.35 0.00 0.00 41.96 40.40 1n0t s TYR 190 CO 0.01 -0.29 0.32 -0.51 -1.34 0.00 0.00 175.55 173.74 1n0t s LEU 191 N 0.27 4.08 0.33 6.97 2.01 -0.50 -0.20 118.68 131.65 1n0t s LEU 191 Ca -0.13 0.27 -0.10 0.00 0.01 0.00 0.00 54.13 54.18 1n0t s LEU 191 Cb -0.17 -2.35 0.02 0.00 0.01 0.00 0.00 46.19 43.71 1n0t s LEU 191 CO 0.07 -0.09 0.59 -1.48 1.01 0.00 0.00 176.35 176.44 1n0t s LEU 192 N 1.66 0.49 0.26 1.79 2.34 -0.50 -4.62 118.68 120.09 1n0t s LEU 192 Ca 0.14 -1.22 -0.30 0.00 0.06 0.00 0.00 54.13 52.80 1n0t s LEU 192 Cb -0.15 2.03 -0.11 0.00 -0.56 0.00 0.00 46.19 47.40 1n0t s LEU 192 CO 0.09 -1.39 1.57 -1.61 -1.06 0.00 0.00 176.35 173.95 1n0t s GLU 193 N -3.07 4.17 0.34 1.48 2.02 -1.26 -0.31 118.70 122.07 1n0t s GLU 193 Ca 0.23 2.50 0.09 0.00 0.02 0.00 0.00 54.97 57.81 1n0t s GLU 193 Cb -0.02 -3.06 0.82 0.00 0.10 0.00 0.00 34.13 31.96 1n0t s GLU 193 CO 0.14 -0.60 1.83 0.66 0.02 0.00 0.00 175.26 177.32 1n0t h SER 194 N 5.37 0.68 -0.75 -0.19 4.64 -0.88 -2.28 113.55 120.13 1n0t h SER 194 Ca -0.46 0.06 0.05 0.00 -0.47 0.00 0.00 61.79 60.97 1n0t h SER 194 Cb 1.22 -0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 63.18 1n0t h SER 194 CO 0.83 0.29 0.46 0.71 -0.87 0.00 0.00 176.83 178.25 1n0t h THR 195 N 0.69 1.04 -0.18 2.95 1.35 -1.88 0.34 112.91 117.21 1n0t h THR 195 Ca 0.51 -0.29 -0.18 0.00 -0.55 0.00 0.00 66.41 65.89 1n0t h THR 195 Cb 0.87 0.11 -0.00 0.00 -1.73 0.00 0.00 68.15 67.39 1n0t h THR 195 CO -0.27 0.16 -0.61 -0.03 -0.25 0.00 0.00 175.52 174.52 1n0t h MET 196 N 0.86 0.63 -0.40 4.72 -1.53 -1.80 -2.32 114.93 115.08 1n0t h MET 196 Ca 0.32 -0.43 -0.01 0.00 -3.44 0.00 0.00 59.70 56.14 1n0t h MET 196 Cb 0.12 0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 31.22 1n0t h MET 196 CO -0.15 1.05 0.22 -0.97 0.14 0.00 0.00 176.91 177.20 1n0t h ASN 197 N 0.47 0.50 0.35 1.39 -0.73 -1.04 -1.31 115.58 115.21 1n0t h ASN 197 Ca -0.01 -0.09 -0.10 0.00 1.87 0.00 0.00 56.30 57.98 1n0t h ASN 197 Cb 1.19 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 39.63 1n0t h ASN 197 CO 0.12 0.45 -0.43 -0.33 -0.37 0.00 0.00 177.43 176.87 1n0t h GLU 198 N 0.52 0.11 0.24 6.67 5.08 -0.94 -2.39 114.58 123.88 1n0t h GLU 198 Ca 0.14 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1n0t h GLU 198 Cb 0.06 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1n0t h GLU 198 CO -0.02 0.52 -0.12 -0.92 -1.00 0.00 0.00 179.01 177.47 1n0t h TYR 199 N 0.09 -0.30 -0.77 4.33 3.20 -1.08 -3.23 116.97 119.20 1n0t h TYR 199 Ca 0.01 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.96 1n0t h TYR 199 Cb 0.80 0.10 -0.05 0.00 1.54 0.00 0.00 36.73 39.12 1n0t h TYR 199 CO 0.01 0.07 0.50 0.82 -1.64 0.00 0.00 178.16 177.92 1n0t h ILE 200 N -0.84 0.95 0.00 1.81 1.08 -1.27 -0.48 117.51 118.76 1n0t h ILE 200 Ca -0.03 -0.24 -0.00 0.00 -0.39 0.00 0.00 64.86 64.20 1n0t h ILE 200 Cb 0.51 0.19 -0.00 0.00 -3.07 0.00 0.00 36.82 34.45 1n0t h ILE 200 CO 0.06 0.13 -0.01 -0.08 -0.69 0.00 0.00 178.15 177.55 1n0t h GLU 201 N 0.70 0.00 -0.62 2.37 4.81 -1.45 -0.37 114.58 120.03 1n0t h GLU 201 Ca 0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1n0t h GLU 201 Cb 0.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1n0t h GLU 201 CO -0.13 0.01 0.00 1.04 -0.73 0.00 0.00 179.01 179.20 1n0t n GLN 202 N -3.43 4.31 -5.04 1.92 1.13 -0.19 -4.82 117.38 111.27 1n0t n GLN 202 Ca -0.03 -3.04 -0.28 0.00 -1.94 0.00 0.00 57.00 51.72 1n0t n GLN 202 Cb 0.10 -2.08 -0.15 0.00 0.11 0.00 0.00 30.24 28.21 1n0t n GLN 202 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1n0t s ARG 203 N -2.30 1.75 0.63 -1.09 1.81 -0.15 -1.08 118.95 118.53 1n0t s ARG 203 Ca 0.53 -0.82 -0.18 0.00 -1.72 0.00 0.00 55.73 53.54 1n0t s ARG 203 Cb 0.37 -1.72 -0.02 0.00 -0.45 0.00 0.00 34.95 33.13 1n0t s ARG 203 CO 0.21 0.47 1.25 1.63 -0.68 0.00 0.00 175.30 178.17 1n0t n LYS 204 N 2.43 1.13 0.00 3.54 5.02 -1.26 -0.58 118.16 128.44 1n0t n LYS 204 Ca -0.16 0.44 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 1n0t n LYS 204 Cb 0.52 -2.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.05 1n0t n LYS 204 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1n0t n PRO 205 N -1.70 0.72 -3.89 1.97 -0.04 -1.26 -4.96 135.00 125.84 1n0t n PRO 205 Ca 0.15 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.33 1n0t n PRO 205 Cb 0.48 -1.11 0.02 0.00 -0.04 0.00 0.00 33.50 32.85 1n0t n PRO 205 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n0t n ASP 207 N -2.87 2.71 -4.39 0.00 5.75 -1.26 -4.96 116.55 111.53 1n0t n ASP 207 Ca -0.03 -1.81 -0.20 0.00 -0.01 0.00 0.00 54.79 52.73 1n0t n ASP 207 Cb 0.56 -0.16 -0.10 0.00 -1.03 0.00 0.00 41.12 40.39 1n0t n ASP 207 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1n0t s THR 208 N -1.09 1.94 0.05 2.12 -4.23 -1.26 -0.52 115.64 112.65 1n0t s THR 208 Ca 0.23 -2.26 -0.24 0.00 -1.18 0.00 0.00 61.69 58.25 1n0t s THR 208 Cb 0.14 -2.16 0.06 0.00 1.34 0.00 0.00 72.50 71.87 1n0t s THR 208 CO 0.19 -0.51 0.56 0.00 -0.54 0.00 0.00 174.62 174.32 1n0t s MET 209 N -3.61 1.07 0.02 3.99 0.23 -0.44 -4.61 119.30 115.95 1n0t s MET 209 Ca 0.25 -0.18 -0.19 0.00 -1.03 0.00 0.00 55.69 54.54 1n0t s MET 209 Cb -0.01 0.49 -0.06 0.00 -1.53 0.00 0.00 34.83 33.72 1n0t s MET 209 CO 0.10 -0.39 0.56 0.21 -2.03 0.00 0.00 175.02 173.47 1n0t s LYS 210 N -2.40 4.23 0.04 3.16 2.20 -1.26 -1.86 119.74 123.85 1n0t s LYS 210 Ca -0.05 0.69 0.06 0.00 -0.36 0.00 0.00 55.97 56.31 1n0t s LYS 210 Cb -0.01 -3.29 -0.02 0.00 -1.51 0.00 0.00 37.83 33.00 1n0t s LYS 210 CO -0.01 0.51 -0.17 0.14 -0.36 0.00 0.00 175.35 175.46 1n0t s VAL 211 N -0.63 1.32 0.11 4.02 -7.23 -0.88 -5.00 120.40 112.11 1n0t s VAL 211 Ca 0.29 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.40 1n0t s VAL 211 Cb -0.18 -1.17 0.00 0.00 0.56 0.00 0.00 36.38 35.58 1n0t s VAL 211 CO 0.17 0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.66 1n0t n GLY 212 N 1.90 -2.14 3.98 2.32 0.00 -1.06 -4.17 105.19 106.02 1n0t n GLY 212 Ca -0.18 -1.41 -0.21 0.00 0.00 0.00 0.00 46.02 44.22 1n0t n GLY 212 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n0t s GLY 213 N -3.72 1.81 0.68 -0.02 0.00 -1.26 -4.91 107.32 99.89 1n0t s GLY 213 Ca 0.00 -1.42 -0.15 0.00 0.00 0.00 0.00 44.72 43.15 1n0t s GLY 213 CO 0.00 -1.08 1.13 -1.31 0.00 0.00 0.00 173.10 171.84 1n0t s ASN 214 N -4.49 4.92 0.19 1.64 0.01 -1.26 -4.79 114.94 111.16 1n0t s ASN 214 Ca 0.59 2.06 0.23 0.00 -0.71 0.00 0.00 52.86 55.04 1n0t s ASN 214 Cb -0.09 -2.56 0.19 0.00 0.41 0.00 0.00 41.25 39.20 1n0t s ASN 214 CO 0.39 -1.76 1.23 -0.07 -1.51 0.00 0.00 177.10 175.38 1n0t h LEU 215 N -0.06 0.00 -8.23 0.60 3.38 -0.83 -3.48 115.31 106.70 1n0t h LEU 215 Ca -0.47 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.29 1n0t h LEU 215 Cb 1.26 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.97 1n0t h LEU 215 CO 0.53 0.04 0.07 1.51 0.09 0.00 0.00 178.44 180.68 1n0t s ASP 216 N -4.97 0.38 -0.06 -0.43 -4.77 -1.26 -4.93 116.67 100.63 1n0t s ASP 216 Ca 0.03 -1.27 0.01 0.00 -3.30 0.00 0.00 52.55 48.02 1n0t s ASP 216 Cb 0.11 0.76 0.02 0.00 -1.09 0.00 0.00 42.92 42.72 1n0t s ASP 216 CO 0.75 -1.50 -0.05 -0.44 0.70 0.00 0.00 175.17 174.62 1n0t s SER 217 N -3.13 1.27 0.23 2.11 0.01 -1.26 -4.12 113.70 108.80 1n0t s SER 217 Ca 0.22 -0.16 -0.03 0.00 1.31 0.00 0.00 55.95 57.28 1n0t s SER 217 Cb -0.03 -0.54 0.01 0.00 0.21 0.00 0.00 66.02 65.68 1n0t s SER 217 CO 0.15 -0.07 0.36 2.29 0.41 0.00 0.00 173.24 176.38 1n0t n LYS 218 N 4.25 0.51 -3.70 12.44 2.85 0.05 -5.00 118.16 129.57 1n0t n LYS 218 Ca -0.21 -1.64 -0.10 0.00 -1.05 0.00 0.00 58.31 55.31 1n0t n LYS 218 Cb 0.51 1.69 -0.05 0.00 -0.65 0.00 0.00 35.03 36.53 1n0t n LYS 218 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1n0t s GLY 219 N -2.33 -0.15 0.11 2.58 0.00 -1.26 -0.88 107.32 105.37 1n0t s GLY 219 Ca 0.16 -0.21 -0.11 0.00 0.00 0.00 0.00 44.72 44.56 1n0t s GLY 219 CO 0.11 -0.42 0.46 -0.19 0.00 0.00 0.00 173.10 173.06 1n0t s TYR 220 N -3.83 3.59 0.05 1.90 2.02 -0.56 -0.44 117.35 120.08 1n0t s TYR 220 Ca 0.05 0.88 -0.00 0.00 -0.37 0.00 0.00 57.07 57.63 1n0t s TYR 220 Cb 0.02 -2.23 -0.04 0.00 -0.40 0.00 0.00 41.96 39.31 1n0t s TYR 220 CO -0.10 0.48 -0.04 0.20 -1.57 0.00 0.00 175.55 174.52 1n0t s GLY 221 N -1.76 0.49 -0.04 0.71 0.00 -0.59 -1.16 107.32 104.97 1n0t s GLY 221 Ca 0.35 -1.15 -0.26 0.00 0.00 0.00 0.00 44.72 43.66 1n0t s GLY 221 CO 0.19 -1.26 0.81 -0.42 0.00 0.00 0.00 173.10 172.42 1n0t s ILE 222 N -3.54 4.97 0.08 0.90 1.01 -1.26 -4.47 121.20 118.88 1n0t s ILE 222 Ca 0.05 1.69 0.05 0.00 0.00 0.00 0.00 60.65 62.44 1n0t s ILE 222 Cb 0.05 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 1n0t s ILE 222 CO -0.08 0.22 -0.04 0.00 0.00 0.00 0.00 174.94 175.04 1n0t s ALA 223 N 0.87 3.15 0.05 9.38 0.00 -0.84 -0.74 121.76 133.64 1n0t s ALA 223 Ca 0.43 -1.13 -0.02 0.00 0.00 0.00 0.00 51.96 51.24 1n0t s ALA 223 Cb -0.19 -1.10 -0.03 0.00 0.00 0.00 0.00 23.12 21.79 1n0t s ALA 223 CO 0.22 0.67 -0.00 0.95 0.00 0.00 0.00 175.76 177.60 1n0t s THR 224 N -1.23 0.20 0.56 0.00 -4.23 -0.59 -0.20 115.64 110.15 1n0t s THR 224 Ca 0.23 -1.63 -0.21 0.00 -1.18 0.00 0.00 61.69 58.90 1n0t s THR 224 Cb -0.11 -1.35 -0.04 0.00 1.34 0.00 0.00 72.50 72.33 1n0t s THR 224 CO 0.15 -0.90 1.33 -2.84 -0.54 0.00 0.00 174.62 171.82 1n0t s PRO 225 N -3.62 3.04 0.06 3.99 0.02 -1.26 -1.27 135.00 135.96 1n0t s PRO 225 Ca 0.04 2.16 -0.34 0.00 0.02 0.00 0.00 61.00 62.88 1n0t s PRO 225 Cb 0.06 -2.16 -0.13 0.00 0.02 0.00 0.00 34.50 32.28 1n0t s PRO 225 CO -0.09 -1.25 1.70 1.63 -0.33 0.00 0.00 177.00 178.67 1n0t n LYS 226 N -1.21 2.16 -1.57 5.54 5.02 -1.26 -1.36 118.16 125.48 1n0t n LYS 226 Ca 0.11 0.78 0.00 0.00 -2.02 0.00 0.00 58.31 57.19 1n0t n LYS 226 Cb 0.46 -2.59 0.00 0.00 -0.02 0.00 0.00 35.03 32.88 1n0t n LYS 226 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n0t n GLY 227 N 3.82 0.38 3.74 0.72 0.00 -1.26 -5.01 105.19 107.59 1n0t n GLY 227 Ca 0.19 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 1n0t n GLY 227 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n0t s SER 228 N -2.99 7.42 0.00 1.61 0.15 -0.46 -4.91 113.70 114.52 1n0t s SER 228 Ca 0.00 2.03 0.18 0.00 0.70 0.00 0.00 55.95 58.86 1n0t s SER 228 Cb 0.00 -2.61 0.99 0.00 -1.71 0.00 0.00 66.02 62.69 1n0t s SER 228 CO 0.00 -0.07 1.52 -1.54 1.20 0.00 0.00 173.24 174.35 1n0t n SER 229 N 1.97 0.00 -0.05 5.45 3.41 -1.26 -2.38 113.62 120.76 1n0t n SER 229 Ca 0.01 -0.24 -0.13 0.00 -0.26 0.00 0.00 58.87 58.25 1n0t n SER 229 Cb 0.47 -0.16 -0.14 0.00 -0.26 0.00 0.00 64.21 64.12 1n0t n SER 229 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1n0t n LEU 230 N -1.16 1.25 -0.20 1.04 4.77 -1.26 -4.60 117.00 116.84 1n0t n LEU 230 Ca 0.11 0.19 -0.05 0.00 -0.03 0.00 0.00 56.01 56.23 1n0t n LEU 230 Cb 0.11 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.02 1n0t n LEU 230 CO 0.12 0.58 0.42 0.61 -1.33 0.00 0.00 177.39 177.80 1n0t n GLY 231 N 1.78 -2.46 0.35 -0.72 0.00 -1.00 -1.28 105.19 101.85 1n0t n GLY 231 Ca -0.28 0.80 -0.09 0.00 0.00 0.00 0.00 46.02 46.45 1n0t n GLY 231 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1n0t h ASN 232 N 0.00 -1.14 -0.13 1.61 -1.24 -1.81 -1.15 115.58 111.71 1n0t h ASN 232 Ca 0.08 0.19 0.00 0.00 0.71 0.00 0.00 56.30 57.27 1n0t h ASN 232 Cb 0.19 0.51 -0.01 0.00 0.73 0.00 0.00 38.32 39.75 1n0t h ASN 232 CO -0.45 -0.34 0.09 0.00 -1.29 0.00 0.00 177.43 175.44 1n0t h ALA 233 N 0.60 0.17 -0.95 1.57 0.00 -1.68 -2.18 119.26 116.79 1n0t h ALA 233 Ca 0.15 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1n0t h ALA 233 Cb 0.55 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1n0t h ALA 233 CO -0.50 -0.34 0.62 0.28 0.00 0.00 0.00 179.25 179.31 1n0t h VAL 234 N 0.17 1.17 -0.16 0.00 2.07 -0.93 -0.80 116.25 117.78 1n0t h VAL 234 Ca 0.05 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 1n0t h VAL 234 Cb -0.01 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.60 1n0t h VAL 234 CO -0.01 0.22 0.10 -1.13 0.02 0.00 0.00 177.57 176.77 1n0t h ASN 235 N 1.21 0.19 -0.56 0.57 -1.24 -0.93 -1.49 115.58 113.32 1n0t h ASN 235 Ca 0.37 -0.04 0.01 0.00 0.71 0.00 0.00 56.30 57.36 1n0t h ASN 235 Cb -0.02 -0.05 -0.03 0.00 0.73 0.00 0.00 38.32 38.95 1n0t h ASN 235 CO -0.11 0.17 0.37 -0.07 -1.29 0.00 0.00 177.43 176.50 1n0t h LEU 236 N 0.19 0.63 -0.51 0.34 4.07 -0.92 -2.21 115.31 116.90 1n0t h LEU 236 Ca 0.06 -0.01 -0.10 0.00 0.08 0.00 0.00 57.88 57.91 1n0t h LEU 236 Cb 0.02 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.59 1n0t h LEU 236 CO -0.01 0.45 -0.06 0.00 -1.08 0.00 0.00 178.44 177.74 1n0t h ALA 237 N 1.65 0.69 -0.52 1.53 0.00 -0.60 -1.55 119.26 120.46 1n0t h ALA 237 Ca 0.21 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1n0t h ALA 237 Cb -0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1n0t h ALA 237 CO -0.05 0.56 0.28 0.28 0.00 0.00 0.00 179.25 180.32 1n0t h VAL 238 N 0.80 1.18 -0.66 0.00 2.07 -0.70 0.66 116.25 119.59 1n0t h VAL 238 Ca 0.14 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 1n0t h VAL 238 Cb 0.60 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1n0t h VAL 238 CO 0.04 0.19 0.30 -0.07 0.02 0.00 0.00 177.57 178.05 1n0t h LEU 239 N 0.70 0.87 -0.43 2.57 3.38 -1.30 -0.94 115.31 120.16 1n0t h LEU 239 Ca 0.18 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1n0t h LEU 239 Cb 0.06 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1n0t h LEU 239 CO -0.03 0.77 0.21 0.50 0.09 0.00 0.00 178.44 179.98 1n0t h LYS 240 N 0.91 0.62 -0.53 1.13 3.64 -0.87 -0.32 116.57 121.15 1n0t h LYS 240 Ca 0.22 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1n0t h LYS 240 Cb 0.14 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 1n0t h LYS 240 CO -0.03 0.53 0.15 -0.07 -2.27 0.00 0.00 179.45 177.77 1n0t h LEU 241 N 0.55 0.74 -0.33 5.20 3.38 -0.59 0.03 115.31 124.28 1n0t h LEU 241 Ca 0.15 -0.12 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 1n0t h LEU 241 Cb 0.12 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1n0t h LEU 241 CO -0.02 0.72 -0.45 -1.13 0.09 0.00 0.00 178.44 177.65 1n0t h ASN 242 N 0.78 0.98 0.53 -0.43 -1.24 -0.85 -0.63 115.58 114.72 1n0t h ASN 242 Ca 0.18 -0.50 -0.04 0.00 0.71 0.00 0.00 56.30 56.65 1n0t h ASN 242 Cb 0.25 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.02 1n0t h ASN 242 CO -0.01 1.28 -0.20 -0.33 -1.29 0.00 0.00 177.43 176.88 1n0t h GLU 243 N 0.70 0.00 -0.01 6.67 5.08 -0.60 -1.59 114.58 124.83 1n0t h GLU 243 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1n0t h GLU 243 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1n0t h GLU 243 CO 0.11 0.20 -0.15 1.04 -1.00 0.00 0.00 179.01 179.20 1n0t n GLN 244 N -3.64 0.80 -0.94 2.33 6.02 -0.04 -4.92 117.38 116.98 1n0t n GLN 244 Ca -0.01 -0.36 0.00 0.00 -0.01 0.00 0.00 57.00 56.62 1n0t n GLN 244 Cb 0.33 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.10 1n0t n GLN 244 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1n0t n GLY 245 N 1.29 0.59 0.22 1.08 0.00 -0.60 -4.94 105.19 102.84 1n0t n GLY 245 Ca 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 1n0t n GLY 245 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1n0t h LEU 246 N 0.00 0.56 -0.71 0.99 7.12 -1.34 -2.39 115.31 119.54 1n0t h LEU 246 Ca 0.00 -0.24 -0.07 0.00 0.13 0.00 0.00 57.88 57.69 1n0t h LEU 246 Cb 0.00 -0.16 -0.03 0.00 -0.53 0.00 0.00 40.66 39.95 1n0t h LEU 246 CO 0.00 0.90 0.15 -0.07 -0.13 0.00 0.00 178.44 179.28 1n0t h LEU 247 N 0.44 1.08 -0.48 2.25 3.38 -1.84 -0.81 115.31 119.32 1n0t h LEU 247 Ca 0.04 -0.24 -0.16 0.00 0.09 0.00 0.00 57.88 57.61 1n0t h LEU 247 Cb 0.88 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1n0t h LEU 247 CO 0.08 1.05 -0.51 0.44 0.09 0.00 0.00 178.44 179.58 1n0t h ASP 248 N 1.07 0.73 -0.49 -0.43 3.32 -1.88 -1.77 116.42 116.97 1n0t h ASP 248 Ca 0.22 -0.38 0.03 0.00 0.02 0.00 0.00 57.03 56.92 1n0t h ASP 248 Cb 0.40 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 1n0t h ASP 248 CO 0.01 1.11 0.27 0.50 -1.72 0.00 0.00 179.24 179.41 1n0t h LYS 249 N 0.52 0.53 -0.37 3.56 3.64 -1.10 0.11 116.57 123.46 1n0t h LYS 249 Ca 0.02 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1n0t h LYS 249 Cb 1.07 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 1n0t h LYS 249 CO 0.10 0.35 0.05 -0.07 -2.27 0.00 0.00 179.45 177.61 1n0t h LEU 250 N 0.54 0.59 -0.08 5.20 3.38 -1.05 -0.09 115.31 123.80 1n0t h LEU 250 Ca 0.20 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1n0t h LEU 250 Cb 0.06 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1n0t h LEU 250 CO -0.11 0.71 -0.04 0.50 0.09 0.00 0.00 178.44 179.60 1n0t h LYS 251 N 0.45 -0.03 -0.89 1.13 1.63 -0.88 -1.45 116.57 116.53 1n0t h LYS 251 Ca 0.11 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.91 1n0t h LYS 251 Cb 0.38 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.97 1n0t h LYS 251 CO 0.01 -0.02 0.54 -0.91 -3.45 0.00 0.00 179.45 175.62 1n0t h ASN 252 N -0.03 1.06 -0.04 4.20 -0.26 -0.69 -1.37 115.58 118.45 1n0t h ASN 252 Ca 0.04 -0.06 -0.00 0.00 -0.56 0.00 0.00 56.30 55.73 1n0t h ASN 252 Cb 0.10 -0.27 -0.00 0.00 -1.06 0.00 0.00 38.32 37.09 1n0t h ASN 252 CO -0.10 0.81 0.02 0.50 -1.06 0.00 0.00 177.43 177.60 1n0t h LYS 253 N 1.22 0.05 0.00 0.81 3.64 -0.36 0.11 116.57 122.05 1n0t h LYS 253 Ca 0.32 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1n0t h LYS 253 Cb -0.06 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1n0t h LYS 253 CO -0.06 0.10 -0.56 -1.49 -2.27 0.00 0.00 179.45 175.16 1n0t h TRP 254 N -0.01 0.00 0.00 1.91 4.06 -1.19 -2.47 115.95 118.26 1n0t h TRP 254 Ca 0.01 0.00 -0.42 0.00 2.06 0.00 0.00 58.89 60.55 1n0t h TRP 254 Cb 0.06 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.15 1n0t h TRP 254 CO -0.05 0.00 -2.43 0.91 -3.56 0.00 0.00 178.44 173.31 1n0t n TRP 255 N -2.45 0.00 -0.10 0.49 8.01 -0.53 -4.70 117.44 118.17 1n0t n TRP 255 Ca 0.03 0.00 -0.18 0.00 -1.31 0.00 0.00 57.50 56.03 1n0t n TRP 255 Cb 0.48 -0.93 -0.06 0.00 -2.01 0.00 0.00 31.31 28.79 1n0t n TRP 255 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 1n0t n TYR 256 N -3.87 0.00 -0.09 -5.99 4.01 -0.62 -4.00 117.16 106.60 1n0t n TYR 256 Ca -0.49 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.19 1n0t n TYR 256 Cb 0.89 -0.68 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 1n0t n TYR 256 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1n0t h ASP 257 N -0.84 -0.45 -0.07 7.72 3.32 -0.91 0.58 116.42 125.78 1n0t h ASP 257 Ca -0.37 0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.78 1n0t h ASP 257 Cb 1.26 0.26 -0.01 0.00 0.22 0.00 0.00 39.33 41.06 1n0t h ASP 257 CO -0.22 -0.16 0.03 0.29 -1.72 0.00 0.00 179.24 177.45 1n0t n LYS 258 N -5.31 1.26 -1.42 3.56 5.02 -0.93 -4.89 118.16 115.45 1n0t n LYS 258 Ca 0.01 -0.29 -0.30 0.00 -2.02 0.00 0.00 58.31 55.71 1n0t n LYS 258 Cb 0.23 -1.37 0.11 0.00 -0.02 0.00 0.00 35.03 33.98 1n0t n LYS 258 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1n0t s GLY 259 N 0.31 1.62 0.00 0.72 0.00 0.20 -4.94 107.32 105.23 1n0t s GLY 259 Ca 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.59 1n0t s GLY 259 CO 0.01 0.28 0.28 1.18 0.00 0.00 0.00 173.10 174.85 1n0t n GLU 260 N -3.64 -0.07 0.00 2.90 1.02 -0.24 -5.06 120.64 115.55 1n0t n GLU 260 Ca 0.07 -0.32 0.05 0.00 -0.02 0.00 0.00 57.16 56.94 1n0t n GLU 260 Cb 0.56 -0.68 0.04 0.00 -0.02 0.00 0.00 31.44 31.34 1n0t n GLU 260 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31