#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kxm s LEU 4 N 0.00 4.38 -0.11 -4.42 1.43 -0.96 -5.01 118.68 113.98 1kxm s LEU 4 Ca 0.00 2.64 -0.02 0.00 -1.03 0.00 0.00 54.13 55.72 1kxm s LEU 4 Cb 0.00 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 1kxm s LEU 4 CO 0.00 -0.72 -0.03 -0.69 0.23 0.00 0.00 176.35 175.13 1kxm s VAL 5 N 0.27 3.96 -0.25 -1.59 1.01 -1.26 -4.74 120.40 117.81 1kxm s VAL 5 Ca 0.62 -0.36 -0.00 0.00 0.00 0.00 0.00 61.98 62.24 1kxm s VAL 5 Cb -0.42 -2.68 0.07 0.00 0.00 0.00 0.00 36.38 33.35 1kxm s VAL 5 CO 0.40 0.55 0.01 -1.00 0.00 0.00 0.00 175.10 175.06 1kxm s HIS 6 N -0.32 2.06 -0.17 5.22 3.76 -1.26 -5.06 115.29 119.52 1kxm s HIS 6 Ca 0.05 -1.66 -0.15 0.00 -0.15 0.00 0.00 55.06 53.16 1kxm s HIS 6 Cb -0.12 -1.60 -0.04 0.00 1.11 0.00 0.00 32.58 31.92 1kxm s HIS 6 CO 0.02 -0.78 0.33 0.08 -0.85 0.00 0.00 174.74 173.54 1kxm s VAL 7 N 1.50 5.28 0.14 -0.90 1.01 -1.26 -0.26 120.40 125.91 1kxm s VAL 7 Ca 0.00 0.61 -0.33 0.00 0.00 0.00 0.00 61.98 62.26 1kxm s VAL 7 Cb -0.18 -3.67 -0.13 0.00 0.00 0.00 0.00 36.38 32.40 1kxm s VAL 7 CO -0.11 0.35 1.67 0.00 0.00 0.00 0.00 175.10 177.01 1kxm n ALA 8 N 3.79 1.73 -3.84 5.51 0.00 0.25 -4.87 120.51 123.08 1kxm n ALA 8 Ca -0.11 0.41 -0.29 0.00 0.00 0.00 0.00 53.44 53.45 1kxm n ALA 8 Cb 0.52 -2.43 -0.16 0.00 0.00 0.00 0.00 19.45 17.38 1kxm n ALA 8 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1kxm s SER 9 N 1.49 3.41 0.27 0.00 0.15 -0.14 -4.66 113.70 114.21 1kxm s SER 9 Ca 0.80 -1.02 -0.31 0.00 0.70 0.00 0.00 55.95 56.12 1kxm s SER 9 Cb -0.62 -0.90 -0.12 0.00 -1.71 0.00 0.00 66.02 62.67 1kxm s SER 9 CO 0.38 -0.27 1.63 0.52 1.20 0.00 0.00 173.24 176.70 1kxm n VAL 10 N 4.85 0.71 -1.72 4.45 0.31 -1.26 -4.23 118.33 121.44 1kxm n VAL 10 Ca -0.10 -0.18 -0.42 0.00 -0.01 0.00 0.00 64.34 63.63 1kxm n VAL 10 Cb 0.45 -1.96 -0.01 0.00 -0.91 0.00 0.00 33.84 31.42 1kxm n VAL 10 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1kxm n GLU 11 N 2.69 2.34 -1.69 5.55 4.71 -1.26 -4.71 120.64 128.26 1kxm n GLU 11 Ca 0.11 0.82 -0.42 0.00 -0.01 0.00 0.00 57.16 57.66 1kxm n GLU 11 Cb 0.36 -2.47 -0.03 0.00 -1.01 0.00 0.00 31.44 28.29 1kxm n GLU 11 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1kxm s LYS 12 N -1.78 4.13 0.00 3.49 2.20 -1.26 -1.47 119.74 125.06 1kxm s LYS 12 Ca 0.56 2.62 0.00 0.00 -0.36 0.00 0.00 55.97 58.79 1kxm s LYS 12 Cb -0.54 -3.58 0.00 0.00 -1.51 0.00 0.00 37.83 32.20 1kxm s LYS 12 CO 0.61 -0.85 0.00 0.41 -0.36 0.00 0.00 175.35 175.16 1kxm n GLY 13 N 4.25 0.68 3.84 5.54 0.00 -1.26 -5.00 105.19 113.23 1kxm n GLY 13 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1kxm n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kxm s ARG 14 N -0.29 4.08 0.09 1.61 1.81 -0.54 -5.06 118.95 120.66 1kxm s ARG 14 Ca 0.00 0.93 0.02 0.00 -1.72 0.00 0.00 55.73 54.96 1kxm s ARG 14 Cb 0.00 -2.24 -0.01 0.00 -0.45 0.00 0.00 34.95 32.25 1kxm s ARG 14 CO 0.00 -0.04 0.07 -1.13 -0.68 0.00 0.00 175.30 173.52 1kxm n SER 15 N -0.85 -0.07 -0.23 0.23 3.41 -1.26 -4.90 113.62 109.94 1kxm n SER 15 Ca 0.06 -1.60 0.03 0.00 -0.26 0.00 0.00 58.87 57.10 1kxm n SER 15 Cb 0.54 0.44 0.15 0.00 -0.26 0.00 0.00 64.21 65.08 1kxm n SER 15 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1kxm h TYR 16 N 1.28 0.21 -0.47 7.33 5.03 -2.00 -1.69 116.97 126.66 1kxm h TYR 16 Ca -0.07 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.27 1kxm h TYR 16 Cb 0.33 0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.60 1kxm h TYR 16 CO 0.00 -0.08 0.23 0.93 -1.32 0.00 0.00 178.16 177.92 1kxm h GLU 17 N 0.24 0.65 -0.20 1.82 4.39 -1.98 0.12 114.58 119.63 1kxm h GLU 17 Ca 0.37 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 60.01 1kxm h GLU 17 Cb 0.61 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 1kxm h GLU 17 CO -0.48 0.50 0.10 -0.44 -1.16 0.00 0.00 179.01 177.53 1kxm h ASP 18 N 0.65 0.15 0.30 1.42 5.19 -1.71 -0.78 116.42 121.64 1kxm h ASP 18 Ca 0.17 0.01 -0.15 0.00 -0.62 0.00 0.00 57.03 56.43 1kxm h ASP 18 Cb 0.06 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 1kxm h ASP 18 CO -0.02 0.12 -0.60 -0.26 -3.12 0.00 0.00 179.24 175.35 1kxm h PHE 19 N 0.21 0.39 -0.61 4.55 -1.00 -1.16 -1.63 116.94 117.69 1kxm h PHE 19 Ca 0.08 -0.15 -0.00 0.00 2.81 0.00 0.00 57.97 60.71 1kxm h PHE 19 Cb 0.01 -0.07 -0.03 0.00 3.61 0.00 0.00 35.95 39.48 1kxm h PHE 19 CO -0.09 0.83 0.36 0.37 -1.61 0.00 0.00 178.31 178.17 1kxm h GLN 20 N 0.23 0.82 -0.65 1.51 5.75 -0.61 0.19 115.11 122.34 1kxm h GLN 20 Ca -0.01 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 58.37 1kxm h GLN 20 Cb 1.12 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 29.47 1kxm h GLN 20 CO 0.10 0.58 0.18 0.87 -2.65 0.00 0.00 178.83 177.90 1kxm h LYS 21 N 0.83 1.02 -0.29 1.69 1.57 -0.19 0.79 116.57 121.99 1kxm h LYS 21 Ca 0.22 -0.22 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1kxm h LYS 21 Cb -0.03 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1kxm h LYS 21 CO -0.04 0.89 -0.08 0.28 -0.57 0.00 0.00 179.45 179.93 1kxm h VAL 22 N 0.98 1.28 -0.37 0.50 2.07 -0.85 -2.29 116.25 117.57 1kxm h VAL 22 Ca 0.21 -1.12 0.07 0.00 0.82 0.00 0.00 66.70 66.68 1kxm h VAL 22 Cb 0.32 1.41 -0.09 0.00 -1.52 0.00 0.00 31.29 31.42 1kxm h VAL 22 CO -0.00 0.36 -0.43 0.22 0.02 0.00 0.00 177.57 177.73 1kxm h TYR 23 N 0.33 -1.27 -0.86 1.57 3.20 -0.32 -1.45 116.97 118.17 1kxm h TYR 23 Ca 0.07 0.07 0.00 0.00 3.14 0.00 0.00 58.73 62.01 1kxm h TYR 23 Cb 0.57 0.61 -0.04 0.00 1.54 0.00 0.00 36.73 39.40 1kxm h TYR 23 CO 0.05 -0.45 0.55 -0.91 -1.64 0.00 0.00 178.16 175.77 1kxm h ASN 24 N -0.35 1.00 -0.68 -2.11 -0.26 -0.66 0.10 115.58 112.62 1kxm h ASN 24 Ca 0.13 -0.04 -0.08 0.00 -0.56 0.00 0.00 56.30 55.75 1kxm h ASN 24 Cb 0.59 -0.25 -0.03 0.00 -1.06 0.00 0.00 38.32 37.57 1kxm h ASN 24 CO -0.55 0.74 0.12 0.00 -1.06 0.00 0.00 177.43 176.67 1kxm h ALA 25 N 1.44 0.90 -0.08 -0.83 0.00 -1.02 0.27 119.26 119.95 1kxm h ALA 25 Ca 0.31 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1kxm h ALA 25 Cb -0.11 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 1kxm h ALA 25 CO -0.06 0.66 0.03 0.82 0.00 0.00 0.00 179.25 180.69 1kxm h ILE 26 N 1.04 1.16 -0.86 0.00 2.04 -0.54 -2.09 117.51 118.26 1kxm h ILE 26 Ca 0.21 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1kxm h ILE 26 Cb 0.43 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 1kxm h ILE 26 CO 0.01 0.14 0.49 0.00 0.00 0.00 0.00 178.15 178.79 1kxm h ALA 27 N 0.85 1.24 -0.10 1.87 0.00 -0.56 0.11 119.26 122.67 1kxm h ALA 27 Ca 0.03 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1kxm h ALA 27 Cb 0.19 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1kxm h ALA 27 CO -0.00 0.63 -0.53 -0.07 0.00 0.00 0.00 179.25 179.27 1kxm h LEU 28 N 1.19 0.30 -0.53 0.00 3.38 -0.36 -1.83 115.31 117.47 1kxm h LEU 28 Ca 0.31 -0.16 -0.16 0.00 0.09 0.00 0.00 57.88 57.95 1kxm h LEU 28 Cb -0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1kxm h LEU 28 CO -0.05 0.78 -0.63 0.50 0.09 0.00 0.00 178.44 179.13 1kxm h LYS 29 N 0.22 0.38 -0.71 1.13 3.64 -1.03 0.52 116.57 120.72 1kxm h LYS 29 Ca 0.00 -0.27 0.03 0.00 -1.27 0.00 0.00 60.65 59.14 1kxm h LYS 29 Cb 1.01 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.83 1kxm h LYS 29 CO 0.08 0.89 0.45 -0.07 -2.27 0.00 0.00 179.45 178.53 1kxm h LEU 30 N 0.28 0.74 -0.61 5.20 3.38 -0.74 0.15 115.31 123.71 1kxm h LEU 30 Ca -0.01 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1kxm h LEU 30 Cb 1.17 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1kxm h LEU 30 CO 0.11 0.52 -0.07 -0.09 0.09 0.00 0.00 178.44 178.99 1kxm h ARG 31 N 0.88 1.02 0.04 1.13 2.43 -0.99 -3.31 114.38 115.58 1kxm h ARG 31 Ca 0.28 -0.36 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1kxm h ARG 31 Cb 0.00 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1kxm h ARG 31 CO -0.10 1.04 -0.02 1.49 -1.51 0.00 0.00 179.97 180.87 1kxm h GLU 32 N 0.92 -0.05 -2.58 0.20 4.57 0.34 -3.35 114.58 114.64 1kxm h GLU 32 Ca 0.15 0.00 -0.73 0.00 -1.18 0.00 0.00 59.36 57.60 1kxm h GLU 32 Cb 0.63 0.01 -0.13 0.00 -0.16 0.00 0.00 28.75 29.10 1kxm h GLU 32 CO 0.04 0.19 2.29 -0.25 -1.18 0.00 0.00 179.01 180.09 1kxm n ASP 33 N -5.00 7.97 0.06 1.04 10.43 0.41 -4.71 116.55 126.74 1kxm n ASP 33 Ca -0.08 -3.16 0.13 0.00 2.57 0.00 0.00 54.79 54.25 1kxm n ASP 33 Cb 0.15 -1.35 0.49 0.00 1.84 0.00 0.00 41.12 42.25 1kxm n ASP 33 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 1kxm n ASP 34 N 1.63 0.48 0.07 -2.24 5.75 -1.26 -3.51 116.55 117.47 1kxm n ASP 34 Ca 0.62 0.55 -0.06 0.00 -0.01 0.00 0.00 54.79 55.88 1kxm n ASP 34 Cb 0.26 -0.68 -0.09 0.00 -1.03 0.00 0.00 41.12 39.58 1kxm n ASP 34 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1kxm h GLU 35 N 0.00 0.00 -6.55 0.11 3.07 -1.90 -3.34 114.58 105.96 1kxm h GLU 35 Ca 0.00 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 58.27 1kxm h GLU 35 Cb 0.63 0.00 0.12 0.00 -0.84 0.00 0.00 28.75 28.66 1kxm h GLU 35 CO 0.00 0.97 0.15 0.98 -1.40 0.00 0.00 179.01 179.70 1kxm n TYR 36 N -3.39 1.24 -3.67 4.33 4.19 -1.23 -0.61 117.16 118.02 1kxm n TYR 36 Ca -0.00 0.63 -0.28 0.00 3.31 0.00 0.00 57.90 61.56 1kxm n TYR 36 Cb 0.91 -2.24 0.04 0.00 0.49 0.00 0.00 39.34 38.54 1kxm n TYR 36 CO 0.00 0.00 0.00 -3.47 0.91 0.00 0.00 176.86 174.30 1kxm n ASP 37 N 0.93 -4.38 -3.88 2.98 2.03 -1.26 -1.44 116.55 111.53 1kxm n ASP 37 Ca 0.09 -0.96 -0.28 0.00 0.52 0.00 0.00 54.79 54.16 1kxm n ASP 37 Cb 0.35 -3.59 0.02 0.00 -0.72 0.00 0.00 41.12 37.18 1kxm n ASP 37 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1kxm n ASN 38 N -2.80 -3.50 -0.62 1.67 5.15 -1.19 -1.93 115.26 112.03 1kxm n ASN 38 Ca -0.14 -0.82 -0.07 0.00 -0.60 0.00 0.00 54.58 52.95 1kxm n ASN 38 Cb 0.61 -3.82 -0.02 0.00 -0.53 0.00 0.00 39.78 36.02 1kxm n ASN 38 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1kxm n TYR 39 N -4.55 -0.10 0.09 1.20 4.02 0.22 -4.89 117.16 113.14 1kxm n TYR 39 Ca -0.07 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.70 1kxm n TYR 39 Cb 0.57 -1.66 -0.12 0.00 -0.02 0.00 0.00 39.34 38.11 1kxm n TYR 39 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 1kxm h ILE 40 N 0.00 1.58 0.00 -0.72 2.04 -0.59 -3.47 117.51 116.35 1kxm h ILE 40 Ca -0.15 -3.15 0.00 0.00 1.00 0.00 0.00 64.86 62.55 1kxm h ILE 40 Cb 0.67 2.86 0.00 0.00 -0.74 0.00 0.00 36.82 39.61 1kxm h ILE 40 CO 0.21 0.91 0.00 0.61 0.00 0.00 0.00 178.15 179.88 1kxm n GLY 41 N 1.39 -0.26 0.12 5.37 0.00 -0.52 -4.59 105.19 106.70 1kxm n GLY 41 Ca -0.05 -1.77 0.15 0.00 0.00 0.00 0.00 46.02 44.35 1kxm n GLY 41 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1kxm n TYR 42 N -0.20 0.00 -0.00 1.61 4.02 -1.26 -4.41 117.16 116.92 1kxm n TYR 42 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.76 1kxm n TYR 42 Cb 0.00 -0.13 -0.08 0.00 -0.02 0.00 0.00 39.34 39.11 1kxm n TYR 42 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1kxm h GLY 43 N 4.96 -1.17 0.54 2.72 0.00 -1.92 -2.01 103.07 106.19 1kxm h GLY 43 Ca 0.00 0.68 0.06 0.00 0.00 0.00 0.00 47.33 48.07 1kxm h GLY 43 CO 0.00 -0.27 0.11 -2.55 0.00 0.00 0.00 176.54 173.84 1kxm h PRO 44 N -0.49 0.25 -0.26 4.80 0.11 -1.89 -1.93 132.00 132.59 1kxm h PRO 44 Ca 0.02 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.06 1kxm h PRO 44 Cb 0.57 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 1kxm h PRO 44 CO -0.36 0.17 -0.11 -0.24 -0.21 0.00 0.00 178.00 177.25 1kxm h VAL 45 N 0.26 1.21 -0.80 3.15 3.04 -1.80 -0.29 116.25 121.02 1kxm h VAL 45 Ca 0.20 -0.93 -0.05 0.00 -1.01 0.00 0.00 66.70 64.91 1kxm h VAL 45 Cb 0.22 1.14 -0.03 0.00 -2.01 0.00 0.00 31.29 30.61 1kxm h VAL 45 CO -0.24 0.30 0.31 -0.07 -1.01 0.00 0.00 177.57 176.86 1kxm h LEU 46 N 0.40 1.10 -0.53 3.16 3.38 -0.98 0.38 115.31 122.23 1kxm h LEU 46 Ca 0.08 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1kxm h LEU 46 Cb 0.44 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1kxm h LEU 46 CO 0.02 0.98 0.14 0.58 0.09 0.00 0.00 178.44 180.25 1kxm h VAL 47 N 1.16 1.24 -0.51 1.22 2.07 -0.61 0.05 116.25 120.86 1kxm h VAL 47 Ca 0.26 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 1kxm h VAL 47 Cb 0.23 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1kxm h VAL 47 CO -0.02 0.31 0.19 -0.09 0.02 0.00 0.00 177.57 177.98 1kxm h ARG 48 N 0.74 0.78 -0.59 1.57 2.43 -0.62 -1.30 114.38 117.39 1kxm h ARG 48 Ca 0.17 -0.15 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1kxm h ARG 48 Cb 0.32 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 1kxm h ARG 48 CO 0.00 0.70 0.36 1.25 -1.51 0.00 0.00 179.97 180.77 1kxm h LEU 49 N 0.69 0.58 -1.36 3.80 5.85 -0.09 0.19 115.31 124.98 1kxm h LEU 49 Ca 0.17 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 1kxm h LEU 49 Cb 0.23 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1kxm h LEU 49 CO -0.01 0.41 -0.14 0.00 -0.34 0.00 0.00 178.44 178.36 1kxm h ALA 50 N 1.26 1.47 -0.04 1.25 0.00 -0.40 -0.52 119.26 122.28 1kxm h ALA 50 Ca 0.24 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1kxm h ALA 50 Cb 0.03 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1kxm h ALA 50 CO -0.10 0.37 -0.34 2.35 0.00 0.00 0.00 179.25 181.53 1kxm h TRP 51 N 0.24 0.42 -0.01 0.00 2.91 -0.40 -2.93 115.95 116.18 1kxm h TRP 51 Ca 0.05 -0.20 -0.04 0.00 1.13 0.00 0.00 58.89 59.83 1kxm h TRP 51 Cb 0.40 -0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 28.98 1kxm h TRP 51 CO 0.01 0.96 -0.17 0.45 -1.03 0.00 0.00 178.44 178.66 1kxm h HIS 52 N -0.23 0.02 0.00 2.65 3.86 -0.31 0.62 115.15 121.76 1kxm h HIS 52 Ca -0.03 -0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.13 1kxm h HIS 52 Cb 1.02 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.48 1kxm h HIS 52 CO 0.14 0.19 -0.25 -0.84 0.86 0.00 0.00 177.93 178.03 1kxm h ILE 53 N 0.01 0.44 0.00 2.45 -0.00 -1.11 -3.19 117.51 116.11 1kxm h ILE 53 Ca 0.00 -1.53 -0.27 0.00 -0.00 0.00 0.00 64.86 63.06 1kxm h ILE 53 Cb 0.31 2.14 -0.05 0.00 -0.00 0.00 0.00 36.82 39.23 1kxm h ILE 53 CO 0.02 0.24 -1.59 0.28 -0.00 0.00 0.00 178.15 177.11 1kxm h SER 54 N 0.00 0.00 0.00 2.16 0.02 -1.11 -3.24 113.55 111.37 1kxm h SER 54 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1kxm h SER 54 Cb 1.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1kxm h SER 54 CO 0.03 0.98 0.00 0.61 -1.14 0.00 0.00 176.83 177.31 1kxm n GLY 55 N 1.52 -0.66 0.03 -3.77 0.00 0.21 -2.45 105.19 100.06 1kxm n GLY 55 Ca -0.14 -0.13 0.14 0.00 0.00 0.00 0.00 46.02 45.89 1kxm n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kxm n THR 56 N -1.00 0.00 -1.77 2.61 -2.24 -1.25 -4.60 114.28 106.02 1kxm n THR 56 Ca 0.16 -0.01 -0.38 0.00 -2.27 0.00 0.00 64.05 61.54 1kxm n THR 56 Cb 0.07 -0.33 0.05 0.00 -2.10 0.00 0.00 70.33 68.02 1kxm n THR 56 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1kxm s TRP 57 N -2.73 2.23 -0.17 4.78 -0.00 -1.03 -4.21 118.94 117.81 1kxm s TRP 57 Ca 0.22 1.40 -0.00 0.00 -0.00 0.00 0.00 56.10 57.71 1kxm s TRP 57 Cb 0.20 -3.78 0.04 0.00 -0.00 0.00 0.00 33.47 29.93 1kxm s TRP 57 CO 0.51 -2.92 -0.05 0.34 -0.00 0.00 0.00 176.95 174.83 1kxm s ASP 58 N -1.05 2.94 0.63 5.86 -1.08 0.18 -4.66 116.67 119.49 1kxm s ASP 58 Ca 0.74 -0.72 0.40 0.00 -0.52 0.00 0.00 52.55 52.46 1kxm s ASP 58 Cb -0.40 -0.94 2.13 0.00 -1.46 0.00 0.00 42.92 42.25 1kxm s ASP 58 CO 0.46 -0.19 2.28 0.07 0.52 0.00 0.00 175.17 178.31 1kxm h LYS 59 N 8.10 0.00 -0.01 4.34 2.10 -1.70 0.03 116.57 129.45 1kxm h LYS 59 Ca -0.24 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.23 1kxm h LYS 59 Cb 1.11 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.42 1kxm h LYS 59 CO 0.40 0.01 -0.81 0.45 -2.00 0.00 0.00 179.45 177.50 1kxm h HIS 60 N 0.00 0.18 0.00 0.07 3.86 -1.95 -3.37 115.15 113.94 1kxm h HIS 60 Ca -0.00 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1kxm h HIS 60 Cb 0.11 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.56 1kxm h HIS 60 CO 0.00 0.88 0.00 -0.40 0.86 0.00 0.00 177.93 179.27 1kxm n ASP 61 N -3.67 0.46 -3.11 2.45 5.68 -1.07 -4.27 116.55 113.02 1kxm n ASP 61 Ca -0.02 -1.12 -0.23 0.00 -0.50 0.00 0.00 54.79 52.92 1kxm n ASP 61 Cb 0.76 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.78 1kxm n ASP 61 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1kxm n ASN 62 N -0.06 -5.90 -4.89 -1.12 5.15 -0.02 -2.27 115.26 106.15 1kxm n ASN 62 Ca 0.00 -0.32 -0.29 0.00 -0.60 0.00 0.00 54.58 53.37 1kxm n ASN 62 Cb 0.25 -4.76 0.01 0.00 -0.53 0.00 0.00 39.78 34.75 1kxm n ASN 62 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1kxm s THR 63 N -3.17 4.67 0.00 -0.44 -4.23 -1.24 -4.69 115.64 106.54 1kxm s THR 63 Ca 0.34 0.57 0.00 0.00 -1.18 0.00 0.00 61.69 61.42 1kxm s THR 63 Cb -0.15 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 69.86 1kxm s THR 63 CO 0.42 -0.98 0.00 0.61 -0.54 0.00 0.00 174.62 174.13 1kxm n GLY 64 N -2.58 0.16 0.00 3.99 0.00 -1.26 -0.65 105.19 104.85 1kxm n GLY 64 Ca 0.04 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1kxm n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kxm n GLY 65 N 0.00 0.19 0.23 -0.02 0.00 -1.26 -4.69 105.19 99.65 1kxm n GLY 65 Ca 0.00 -1.76 0.13 0.00 0.00 0.00 0.00 46.02 44.39 1kxm n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1kxm h SER 66 N 0.00 0.00 -0.48 1.61 4.64 -1.76 -3.36 113.55 114.20 1kxm h SER 66 Ca 0.00 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.42 1kxm h SER 66 Cb 0.00 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 61.99 1kxm h SER 66 CO 0.00 0.09 -0.22 0.22 -0.87 0.00 0.00 176.83 176.06 1kxm h TYR 67 N 0.00 -0.55 0.00 4.77 3.20 -1.85 -2.44 116.97 120.10 1kxm h TYR 67 Ca -0.00 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1kxm h TYR 67 Cb 0.80 0.32 0.00 0.00 1.54 0.00 0.00 36.73 39.39 1kxm h TYR 67 CO 0.00 -0.30 0.00 0.41 -1.64 0.00 0.00 178.16 176.63 1kxm n GLY 68 N -1.40 -1.52 3.80 1.82 0.00 -1.26 -3.00 105.19 103.63 1kxm n GLY 68 Ca 0.04 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 1kxm n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kxm n GLY 69 N 1.35 -0.48 0.00 -0.02 0.00 -0.92 -1.49 105.19 103.63 1kxm n GLY 69 Ca 0.06 0.20 0.15 0.00 0.00 0.00 0.00 46.02 46.43 1kxm n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kxm n THR 70 N -4.70 0.00 0.24 2.61 -2.24 -1.26 -3.04 114.28 105.88 1kxm n THR 70 Ca -0.02 -0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.94 1kxm n THR 70 Cb 0.56 -0.49 0.87 0.00 -2.10 0.00 0.00 70.33 69.17 1kxm n THR 70 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1kxm h TYR 71 N 0.01 0.00 0.00 4.78 5.03 -1.94 -1.45 116.97 123.40 1kxm h TYR 71 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1kxm h TYR 71 Cb 0.30 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.58 1kxm h TYR 71 CO 0.00 0.00 0.00 2.89 -1.32 0.00 0.00 178.16 179.73 1kxm n ARG 72 N -3.59 0.09 -3.68 1.82 1.85 -1.17 -3.59 116.66 108.40 1kxm n ARG 72 Ca 0.01 0.42 -0.35 0.00 -1.00 0.00 0.00 57.85 56.92 1kxm n ARG 72 Cb 0.31 -1.71 -0.05 0.00 -1.05 0.00 0.00 32.46 29.95 1kxm n ARG 72 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1kxm s PHE 73 N -3.21 3.59 0.37 2.89 0.40 -0.55 -4.92 117.98 116.55 1kxm s PHE 73 Ca 0.03 0.68 0.06 0.00 -0.60 0.00 0.00 56.93 57.11 1kxm s PHE 73 Cb 0.07 -2.07 0.74 0.00 0.51 0.00 0.00 43.02 42.27 1kxm s PHE 73 CO 0.26 0.59 1.97 1.57 0.70 0.00 0.00 175.22 180.31 1kxm h LYS 74 N 4.00 0.72 -0.04 0.44 2.10 -1.87 0.65 116.57 122.57 1kxm h LYS 74 Ca -0.50 -0.04 0.03 0.00 -2.00 0.00 0.00 60.65 58.14 1kxm h LYS 74 Cb 1.20 -0.16 -0.05 0.00 -0.90 0.00 0.00 32.23 32.32 1kxm h LYS 74 CO 0.65 0.48 -0.23 -0.22 -2.00 0.00 0.00 179.45 178.14 1kxm h LYS 75 N 0.75 -0.32 -0.25 0.07 3.64 -1.93 0.79 116.57 119.31 1kxm h LYS 75 Ca 0.29 0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.52 1kxm h LYS 75 Cb 0.21 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1kxm h LYS 75 CO -0.09 -0.22 -0.54 1.49 -2.27 0.00 0.00 179.45 177.82 1kxm h GLU 76 N -0.34 0.80 0.00 1.90 4.81 -1.63 -2.21 114.58 117.91 1kxm h GLU 76 Ca 0.07 -0.53 -0.05 0.00 -0.13 0.00 0.00 59.36 58.72 1kxm h GLU 76 Cb 0.44 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1kxm h GLU 76 CO -0.23 1.16 -0.23 0.27 -0.73 0.00 0.00 179.01 179.25 1kxm h PHE 77 N 0.55 0.00 -0.24 0.92 -5.15 -0.46 -1.78 116.94 110.78 1kxm h PHE 77 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1kxm h PHE 77 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.32 1kxm h PHE 77 CO 0.08 0.23 0.00 0.09 -2.00 0.00 0.00 178.31 176.71 1kxm n ASN 78 N -3.52 1.88 -4.67 -0.68 5.03 0.27 -4.83 115.26 108.75 1kxm n ASN 78 Ca -0.01 -1.81 -0.53 0.00 0.87 0.00 0.00 54.58 53.10 1kxm n ASN 78 Cb 0.39 -0.16 -0.06 0.00 -1.02 0.00 0.00 39.78 38.93 1kxm n ASN 78 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1kxm n ASP 79 N 0.48 2.40 -0.16 6.41 -0.08 -0.67 -4.84 116.55 120.08 1kxm n ASP 79 Ca 0.15 1.07 0.12 0.00 -1.51 0.00 0.00 54.79 54.62 1kxm n ASP 79 Cb 0.34 -1.22 0.45 0.00 2.34 0.00 0.00 41.12 43.03 1kxm n ASP 79 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1kxm h PRO 80 N 6.60 0.52 0.00 -0.67 0.11 -1.90 0.26 132.00 136.93 1kxm h PRO 80 Ca -0.47 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1kxm h PRO 80 Cb 1.31 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1kxm h PRO 80 CO 0.90 0.35 -0.00 0.77 -0.21 0.00 0.00 178.00 179.80 1kxm h SER 81 N 0.54 0.00 -0.62 -2.05 0.02 -1.93 -2.07 113.55 107.43 1kxm h SER 81 Ca 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1kxm h SER 81 Cb 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 1kxm h SER 81 CO -0.12 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.16 1kxm n ASN 82 N -3.15 5.11 -4.74 3.07 3.02 0.93 -4.99 115.26 114.51 1kxm n ASN 82 Ca -0.03 -2.62 -0.42 0.00 -0.03 0.00 0.00 54.58 51.48 1kxm n ASN 82 Cb 0.08 -0.62 -0.02 0.00 -0.61 0.00 0.00 39.78 38.61 1kxm n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kxm s ALA 83 N -2.18 3.67 0.00 5.41 0.00 -0.78 -1.74 121.76 126.14 1kxm s ALA 83 Ca 0.52 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.83 1kxm s ALA 83 Cb 0.36 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1kxm s ALA 83 CO 0.22 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.63 1kxm n GLY 84 N 2.57 3.20 0.22 0.00 0.00 -1.26 -4.84 105.19 105.09 1kxm n GLY 84 Ca 0.08 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.25 1kxm n GLY 84 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1kxm h LEU 85 N 0.00 0.00 -2.02 0.99 3.38 -1.73 -2.73 115.31 113.20 1kxm h LEU 85 Ca 0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 1kxm h LEU 85 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1kxm h LEU 85 CO 0.00 0.00 0.35 1.56 0.09 0.00 0.00 178.44 180.44 1kxm h GLN 86 N 0.00 0.00 -0.51 1.13 7.50 -1.91 0.12 115.11 121.44 1kxm h GLN 86 Ca 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 58.65 59.10 1kxm h GLN 86 Cb 0.65 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.16 1kxm h GLN 86 CO 0.00 0.00 0.13 -0.91 -1.50 0.00 0.00 178.83 176.55 1kxm h ASN 87 N 0.00 0.71 0.06 1.46 4.21 -1.88 0.59 115.58 120.73 1kxm h ASN 87 Ca 0.22 -0.12 -0.19 0.00 1.21 0.00 0.00 56.30 57.42 1kxm h ASN 87 Cb 0.91 -0.18 -0.00 0.00 -1.12 0.00 0.00 38.32 37.92 1kxm h ASN 87 CO -0.00 0.70 -0.70 1.23 -1.29 0.00 0.00 177.43 177.37 1kxm h GLY 88 N 0.93 0.63 0.96 2.83 0.00 -1.17 -0.23 103.07 107.02 1kxm h GLY 88 Ca 0.17 -0.85 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 1kxm h GLY 88 CO -0.00 0.76 0.19 -2.75 0.00 0.00 0.00 176.54 174.74 1kxm h PHE 89 N 0.41 0.49 -0.73 5.60 3.57 -1.22 -1.20 116.94 123.86 1kxm h PHE 89 Ca -0.03 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.40 1kxm h PHE 89 Cb 1.29 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.84 1kxm h PHE 89 CO 0.06 0.39 0.21 0.87 -2.23 0.00 0.00 178.31 177.60 1kxm h LYS 90 N 0.45 1.15 -0.34 1.11 1.57 -0.76 -1.57 116.57 118.17 1kxm h LYS 90 Ca 0.12 -0.26 0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1kxm h LYS 90 Cb 0.06 -0.16 -0.07 0.00 0.08 0.00 0.00 32.23 32.15 1kxm h LYS 90 CO -0.02 0.99 -0.09 0.35 -0.57 0.00 0.00 179.45 180.11 1kxm h PHE 91 N 1.09 -0.20 -0.00 -1.35 3.04 -0.68 -2.67 116.94 116.18 1kxm h PHE 91 Ca 0.23 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.21 1kxm h PHE 91 Cb 0.33 0.14 0.00 0.00 2.56 0.00 0.00 35.95 38.98 1kxm h PHE 91 CO 0.03 -0.15 -0.05 1.28 -2.02 0.00 0.00 178.31 177.39 1kxm n LEU 92 N -5.28 0.09 0.03 0.59 4.77 -0.48 -3.98 117.00 112.73 1kxm n LEU 92 Ca 0.01 0.34 -0.10 0.00 -0.03 0.00 0.00 56.01 56.22 1kxm n LEU 92 Cb 0.20 -0.37 -0.04 0.00 -2.33 0.00 0.00 43.42 40.87 1kxm n LEU 92 CO 0.17 0.02 0.76 -0.08 -1.33 0.00 0.00 177.39 176.94 1kxm h GLU 93 N 0.06 -0.21 0.00 3.23 4.81 -0.95 0.49 114.58 122.01 1kxm h GLU 93 Ca 0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1kxm h GLU 93 Cb 0.41 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 1kxm h GLU 93 CO 0.00 -0.14 -0.06 -1.00 -0.73 0.00 0.00 179.01 177.08 1kxm h PRO 94 N -0.21 0.00 -0.19 0.92 0.13 -1.75 -1.19 132.00 129.71 1kxm h PRO 94 Ca 0.07 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.09 1kxm h PRO 94 Cb 0.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.44 1kxm h PRO 94 CO -0.19 0.06 -0.30 0.82 -0.23 0.00 0.00 178.00 178.16 1kxm h ILE 95 N 0.00 1.34 -0.60 -3.56 1.08 -1.29 -1.10 117.51 113.38 1kxm h ILE 95 Ca -0.00 -1.52 -0.09 0.00 -0.39 0.00 0.00 64.86 62.85 1kxm h ILE 95 Cb 0.25 1.86 -0.02 0.00 -3.07 0.00 0.00 36.82 35.84 1kxm h ILE 95 CO 0.01 0.47 0.01 -0.74 -0.69 0.00 0.00 178.15 177.20 1kxm h HIS 96 N 0.20 1.14 -0.76 1.37 2.76 -0.34 -0.18 115.15 119.33 1kxm h HIS 96 Ca 0.02 -0.19 -0.05 0.00 -2.20 0.00 0.00 60.37 57.94 1kxm h HIS 96 Cb 0.89 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 29.51 1kxm h HIS 96 CO 0.09 1.01 0.29 0.87 -1.30 0.00 0.00 177.93 178.89 1kxm h LYS 97 N 0.94 1.15 0.00 5.26 1.79 -1.22 -1.31 116.57 123.18 1kxm h LYS 97 Ca 0.17 -0.22 -0.07 0.00 -2.18 0.00 0.00 60.65 58.36 1kxm h LYS 97 Cb 0.55 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 1kxm h LYS 97 CO 0.03 0.94 -0.32 1.49 -1.08 0.00 0.00 179.45 180.51 1kxm h GLU 98 N 1.11 0.00 -2.13 3.15 4.81 -0.93 -3.36 114.58 117.24 1kxm h GLU 98 Ca 0.25 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.90 1kxm h GLU 98 Cb 0.23 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 29.21 1kxm h GLU 98 CO -0.02 0.32 -0.84 1.19 -0.73 0.00 0.00 179.01 178.93 1kxm n PHE 99 N -3.66 1.68 0.35 0.92 3.01 -0.10 -4.94 117.46 114.72 1kxm n PHE 99 Ca -0.01 -3.87 0.14 0.00 1.01 0.00 0.00 57.45 54.72 1kxm n PHE 99 Cb 0.43 -0.44 0.58 0.00 -0.01 0.00 0.00 39.48 40.03 1kxm n PHE 99 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1kxm h PRO 100 N 4.16 0.00 0.00 -1.08 0.13 -1.42 -2.67 132.00 131.11 1kxm h PRO 100 Ca 0.14 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1kxm h PRO 100 Cb 0.77 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 1kxm h PRO 100 CO 0.65 0.00 -0.00 0.11 -0.23 0.00 0.00 178.00 178.53 1kxm h TRP 101 N 0.00 0.00 -3.64 1.56 5.08 -1.92 -3.44 115.95 113.59 1kxm h TRP 101 Ca 0.00 0.00 -0.51 0.00 1.08 0.00 0.00 58.89 59.46 1kxm h TRP 101 Cb 0.38 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.53 1kxm h TRP 101 CO 0.00 0.00 0.39 -1.50 -1.28 0.00 0.00 178.44 176.05 1kxm s ILE 102 N -3.44 4.16 0.99 0.12 2.07 -1.01 -4.92 121.20 119.17 1kxm s ILE 102 Ca 0.04 1.94 -0.12 0.00 -1.41 0.00 0.00 60.65 61.11 1kxm s ILE 102 Cb 0.07 -4.24 0.19 0.00 0.13 0.00 0.00 42.46 38.61 1kxm s ILE 102 CO 0.61 0.37 1.08 -0.94 -1.91 0.00 0.00 174.94 174.15 1kxm s SER 103 N -0.45 2.44 0.02 4.50 1.04 -1.26 -4.83 113.70 115.15 1kxm s SER 103 Ca 0.45 1.70 -0.22 0.00 0.48 0.00 0.00 55.95 58.37 1kxm s SER 103 Cb -0.26 -2.33 -0.17 0.00 0.10 0.00 0.00 66.02 63.36 1kxm s SER 103 CO 0.32 -3.32 1.28 0.28 0.98 0.00 0.00 173.24 172.79 1kxm h SER 104 N -2.02 0.31 -0.76 7.02 0.02 -1.91 -1.50 113.55 114.72 1kxm h SER 104 Ca -0.52 -0.53 0.09 0.00 -0.84 0.00 0.00 61.79 59.99 1kxm h SER 104 Cb 1.30 -0.09 -0.07 0.00 0.14 0.00 0.00 62.40 63.68 1kxm h SER 104 CO 0.49 0.78 0.41 1.23 -1.14 0.00 0.00 176.83 178.61 1kxm h GLY 105 N -0.15 1.15 1.11 -3.77 0.00 -1.79 0.24 103.07 99.85 1kxm h GLY 105 Ca 0.01 -0.28 -0.10 0.00 0.00 0.00 0.00 47.33 46.96 1kxm h GLY 105 CO 0.04 0.12 -0.04 -0.55 0.00 0.00 0.00 176.54 176.10 1kxm h ASP 106 N 0.71 1.04 -0.30 0.19 5.19 -1.79 -1.57 116.42 119.89 1kxm h ASP 106 Ca 0.36 -0.31 -0.05 0.00 -0.62 0.00 0.00 57.03 56.41 1kxm h ASP 106 Cb 0.32 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 1kxm h ASP 106 CO -0.24 1.11 0.01 0.25 -3.12 0.00 0.00 179.24 177.25 1kxm h LEU 107 N 0.95 0.51 -0.44 1.55 5.85 -0.39 0.18 115.31 123.53 1kxm h LEU 107 Ca 0.16 -0.30 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 1kxm h LEU 107 Cb 0.60 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1kxm h LEU 107 CO 0.04 0.68 0.02 -0.26 -0.34 0.00 0.00 178.44 178.58 1kxm h PHE 108 N 0.33 0.82 -0.30 1.25 0.05 -0.44 0.96 116.94 119.62 1kxm h PHE 108 Ca 0.09 -0.13 -0.17 0.00 3.82 0.00 0.00 57.97 61.57 1kxm h PHE 108 Cb 0.41 -0.22 -0.00 0.00 2.00 0.00 0.00 35.95 38.14 1kxm h PHE 108 CO 0.03 0.80 -0.49 0.66 -0.18 0.00 0.00 178.31 179.13 1kxm h SER 109 N 0.60 0.91 -0.02 2.17 4.64 -1.23 -2.78 113.55 117.84 1kxm h SER 109 Ca 0.13 -0.46 -0.07 0.00 -0.47 0.00 0.00 61.79 60.91 1kxm h SER 109 Cb 0.46 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 1kxm h SER 109 CO 0.02 1.25 -0.19 0.25 -0.87 0.00 0.00 176.83 177.29 1kxm h LEU 110 N 0.65 0.37 -0.93 5.97 5.85 -0.44 -1.68 115.31 125.10 1kxm h LEU 110 Ca 0.03 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.67 1kxm h LEU 110 Cb 1.08 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.97 1kxm h LEU 110 CO 0.11 0.57 0.62 1.23 -0.34 0.00 0.00 178.44 180.63 1kxm h GLY 111 N 0.93 1.33 0.88 3.75 0.00 -0.57 -0.22 103.07 109.18 1kxm h GLY 111 Ca 0.06 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 1kxm h GLY 111 CO 0.03 0.45 0.06 -1.33 0.00 0.00 0.00 176.54 175.76 1kxm h GLY 112 N 1.24 0.49 0.87 4.60 0.00 -1.07 -1.48 103.07 107.71 1kxm h GLY 112 Ca 0.35 -0.31 0.02 0.00 0.00 0.00 0.00 47.33 47.39 1kxm h GLY 112 CO -0.09 0.29 0.22 -2.08 0.00 0.00 0.00 176.54 174.87 1kxm h VAL 113 N 0.29 1.02 0.12 4.60 2.07 -1.13 -1.84 116.25 121.37 1kxm h VAL 113 Ca 0.09 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1kxm h VAL 113 Cb 0.30 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1kxm h VAL 113 CO 0.00 0.08 -0.06 0.74 0.02 0.00 0.00 177.57 178.36 1kxm h THR 114 N 0.44 0.91 -0.45 2.57 2.02 -0.92 -0.79 112.91 116.69 1kxm h THR 114 Ca 0.16 -0.09 0.09 0.00 0.77 0.00 0.00 66.41 67.34 1kxm h THR 114 Cb 0.03 0.97 -0.09 0.00 -1.74 0.00 0.00 68.15 67.31 1kxm h THR 114 CO -0.09 0.02 -0.18 0.00 0.37 0.00 0.00 175.52 175.64 1kxm h ALA 115 N 0.69 0.17 -0.01 6.16 0.00 -1.21 0.13 119.26 125.19 1kxm h ALA 115 Ca -0.02 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1kxm h ALA 115 Cb 0.15 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1kxm h ALA 115 CO 0.03 -0.53 0.01 0.28 0.00 0.00 0.00 179.25 179.03 1kxm h VAL 116 N -0.09 1.00 -0.63 0.00 2.07 -0.95 -0.36 116.25 117.29 1kxm h VAL 116 Ca 0.22 -0.01 -0.09 0.00 0.82 0.00 0.00 66.70 67.63 1kxm h VAL 116 Cb 0.42 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1kxm h VAL 116 CO -0.51 0.00 0.04 1.56 0.02 0.00 0.00 177.57 178.68 1kxm h GLN 117 N 0.01 1.09 0.00 1.57 4.20 -0.76 -0.89 115.11 120.33 1kxm h GLN 117 Ca 0.00 -0.33 -0.10 0.00 0.06 0.00 0.00 58.65 58.29 1kxm h GLN 117 Cb 0.00 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1kxm h GLN 117 CO -0.00 1.04 -0.46 0.93 -0.67 0.00 0.00 178.83 179.67 1kxm h GLU 118 N 1.00 0.00 -0.58 1.46 4.39 -0.57 -1.54 114.58 118.75 1kxm h GLU 118 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 1kxm h GLU 118 Cb 0.52 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1kxm h GLU 118 CO 0.02 0.46 0.00 -1.33 -1.16 0.00 0.00 179.01 177.00 1kxm n MET 119 N -3.85 1.43 -0.95 2.33 2.81 -0.16 -4.85 117.12 113.88 1kxm n MET 119 Ca -0.01 -0.43 0.00 0.00 -1.81 0.00 0.00 57.70 55.45 1kxm n MET 119 Cb 0.50 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.62 1kxm n MET 119 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1kxm n GLN 120 N -0.03 0.00 -0.37 0.03 6.02 -0.58 -0.28 117.38 122.17 1kxm n GLN 120 Ca 0.04 0.38 -0.07 0.00 -0.01 0.00 0.00 57.00 57.34 1kxm n GLN 120 Cb 0.26 -3.62 0.05 0.00 1.02 0.00 0.00 30.24 27.95 1kxm n GLN 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1kxm n GLY 121 N -2.95 -1.66 3.81 1.08 0.00 -0.37 -4.72 105.19 100.37 1kxm n GLY 121 Ca 0.00 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 44.11 1kxm n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1kxm s PRO 122 N -3.64 2.65 0.37 1.61 0.04 -1.26 -4.65 135.00 130.12 1kxm s PRO 122 Ca 0.17 0.88 -0.28 0.00 0.04 0.00 0.00 61.00 61.82 1kxm s PRO 122 Cb -0.01 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.47 1kxm s PRO 122 CO 0.12 -1.28 1.37 0.15 0.04 0.00 0.00 177.00 177.40 1kxm s LYS 123 N -5.06 4.14 -0.26 4.56 -0.14 -1.26 -4.38 119.74 117.33 1kxm s LYS 123 Ca 0.59 2.32 0.02 0.00 -1.36 0.00 0.00 55.97 57.55 1kxm s LYS 123 Cb -0.14 -2.93 0.06 0.00 -1.68 0.00 0.00 37.83 33.14 1kxm s LYS 123 CO 0.55 -0.41 -0.09 0.42 -0.76 0.00 0.00 175.35 175.06 1kxm s ILE 124 N -1.17 2.00 0.54 2.17 1.01 -1.26 -4.78 121.20 119.71 1kxm s ILE 124 Ca 0.53 -1.56 -0.21 0.00 0.00 0.00 0.00 60.65 59.40 1kxm s ILE 124 Cb -0.42 -2.17 -0.05 0.00 0.01 0.00 0.00 42.46 39.83 1kxm s ILE 124 CO 0.55 -0.08 1.28 -2.65 0.00 0.00 0.00 174.94 174.05 1kxm n PRO 125 N 4.49 1.55 -3.84 2.79 -0.02 -1.26 -4.76 135.00 133.95 1kxm n PRO 125 Ca -0.13 0.57 -0.12 0.00 -2.02 0.00 0.00 63.50 61.80 1kxm n PRO 125 Cb 0.43 -2.48 -0.13 0.00 -0.02 0.00 0.00 33.50 31.29 1kxm n PRO 125 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1kxm s TRP 126 N -1.32 -0.08 0.03 6.00 -0.00 -0.24 -4.79 118.94 118.55 1kxm s TRP 126 Ca 0.72 0.20 0.08 0.00 -0.00 0.00 0.00 56.10 57.10 1kxm s TRP 126 Cb -0.43 0.02 -0.03 0.00 -0.00 0.00 0.00 33.47 33.03 1kxm s TRP 126 CO 0.49 -0.04 -0.23 1.03 -0.00 0.00 0.00 176.95 178.20 1kxm s ARG 127 N 0.10 1.99 0.69 5.86 0.52 -1.26 0.18 118.95 127.03 1kxm s ARG 127 Ca -0.01 -1.01 0.03 0.00 -0.52 0.00 0.00 55.73 54.23 1kxm s ARG 127 Cb -0.01 -2.09 0.13 0.00 0.52 0.00 0.00 34.95 33.50 1kxm s ARG 127 CO -0.00 0.54 0.95 0.00 0.02 0.00 0.00 175.30 176.80 1kxm n GLY 129 N -2.57 0.86 3.77 0.00 0.00 -1.26 -4.73 105.19 101.25 1kxm n GLY 129 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1kxm n GLY 129 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kxm s ARG 130 N -0.34 3.99 -0.08 1.61 0.52 -1.26 -0.97 118.95 122.42 1kxm s ARG 130 Ca 0.00 2.18 0.05 0.00 -0.52 0.00 0.00 55.73 57.44 1kxm s ARG 130 Cb 0.00 -2.78 -0.00 0.00 0.52 0.00 0.00 34.95 32.69 1kxm s ARG 130 CO 0.00 -0.48 -0.24 0.08 0.02 0.00 0.00 175.30 174.67 1kxm s VAL 131 N -1.25 2.05 0.31 3.52 1.01 -1.16 -4.58 120.40 120.31 1kxm s VAL 131 Ca 0.56 -1.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 1kxm s VAL 131 Cb -0.39 -1.76 -0.11 0.00 0.00 0.00 0.00 36.38 34.12 1kxm s VAL 131 CO 0.50 0.56 1.52 -1.81 0.00 0.00 0.00 175.10 175.87 1kxm s ASP 132 N 0.15 6.43 0.29 3.32 -0.00 -1.26 -4.04 116.67 121.55 1kxm s ASP 132 Ca -0.13 2.92 0.11 0.00 -0.00 0.00 0.00 52.55 55.45 1kxm s ASP 132 Cb -0.16 -2.64 -0.05 0.00 -0.00 0.00 0.00 42.92 40.06 1kxm s ASP 132 CO 0.07 -0.84 -0.15 0.42 -0.00 0.00 0.00 175.17 174.66 1kxm s THR 133 N -0.42 2.59 0.80 -1.27 -4.23 -0.56 -5.00 115.64 107.55 1kxm s THR 133 Ca 0.58 -2.30 -0.11 0.00 -1.18 0.00 0.00 61.69 58.69 1kxm s THR 133 Cb -0.46 -2.44 0.07 0.00 1.34 0.00 0.00 72.50 71.01 1kxm s THR 133 CO 0.52 -0.36 1.12 -2.84 -0.54 0.00 0.00 174.62 172.52 1kxm s PRO 134 N -3.56 1.95 0.54 3.99 0.02 -1.26 -4.87 135.00 131.82 1kxm s PRO 134 Ca 0.31 1.34 0.30 0.00 0.02 0.00 0.00 61.00 62.97 1kxm s PRO 134 Cb -0.04 -1.85 1.46 0.00 0.02 0.00 0.00 34.50 34.09 1kxm s PRO 134 CO 0.16 -1.90 1.92 1.49 -0.33 0.00 0.00 177.00 178.35 1kxm h GLU 135 N -1.16 0.00 -0.04 5.54 4.81 -1.98 0.17 114.58 121.93 1kxm h GLU 135 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1kxm h GLU 135 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1kxm h GLU 135 CO 0.49 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.37 1kxm n ASP 136 N -4.29 0.53 -0.44 1.04 5.75 -1.26 -2.42 116.55 115.46 1kxm n ASP 136 Ca 0.15 -1.43 0.13 0.00 -0.01 0.00 0.00 54.79 53.63 1kxm n ASP 136 Cb 0.84 -0.03 0.27 0.00 -1.03 0.00 0.00 41.12 41.18 1kxm n ASP 136 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1kxm n THR 137 N -0.48 0.00 -1.80 2.12 -2.24 0.61 -4.92 114.28 107.57 1kxm n THR 137 Ca 0.17 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.30 1kxm n THR 137 Cb 0.16 0.77 -0.03 0.00 -2.10 0.00 0.00 70.33 69.13 1kxm n THR 137 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1kxm s THR 138 N -2.34 2.82 0.58 4.28 2.01 -1.01 -4.64 115.64 117.33 1kxm s THR 138 Ca 0.26 0.24 -0.19 0.00 0.31 0.00 0.00 61.69 62.31 1kxm s THR 138 Cb 0.19 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 1kxm s THR 138 CO 0.47 -0.00 1.17 -2.16 -0.69 0.00 0.00 174.62 173.42 1kxm s PRO 139 N 2.93 3.08 0.77 4.92 0.04 -1.26 -5.00 135.00 140.48 1kxm s PRO 139 Ca 0.79 1.73 -0.13 0.00 0.04 0.00 0.00 61.00 63.42 1kxm s PRO 139 Cb -0.43 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.22 1kxm s PRO 139 CO 0.35 -1.09 1.15 -0.51 0.04 0.00 0.00 177.00 176.94 1kxm s ASP 140 N -1.72 4.15 0.86 6.66 1.01 -1.26 -4.68 116.67 121.69 1kxm s ASP 140 Ca 0.75 2.14 -0.13 0.00 0.71 0.00 0.00 52.55 56.02 1kxm s ASP 140 Cb -0.27 -2.56 0.07 0.00 1.01 0.00 0.00 42.92 41.16 1kxm s ASP 140 CO 0.31 -2.28 0.90 0.59 0.21 0.00 0.00 175.17 174.90 1kxm n ASN 141 N -3.17 -0.21 0.00 0.27 3.02 -1.26 -4.24 115.26 109.66 1kxm n ASN 141 Ca 0.12 0.48 0.00 0.00 -0.03 0.00 0.00 54.58 55.15 1kxm n ASN 141 Cb 0.52 -1.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.30 1kxm n ASN 141 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kxm n GLY 142 N 0.86 0.83 0.00 7.41 0.00 -1.26 -4.96 105.19 108.07 1kxm n GLY 142 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 1kxm n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kxm n ARG 143 N -2.06 0.01 -3.45 1.61 1.74 -1.26 -4.92 116.66 108.33 1kxm n ARG 143 Ca 0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 1kxm n ARG 143 Cb 0.00 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 29.90 1kxm n ARG 143 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1kxm s LEU 144 N -3.03 4.14 0.50 0.55 1.43 -1.26 -4.72 118.68 116.29 1kxm s LEU 144 Ca 0.11 0.72 -0.19 0.00 -1.03 0.00 0.00 54.13 53.74 1kxm s LEU 144 Cb 0.17 -3.50 -0.08 0.00 0.03 0.00 0.00 46.19 42.81 1kxm s LEU 144 CO 0.71 -0.10 1.02 -2.16 0.23 0.00 0.00 176.35 176.05 1kxm s PRO 145 N -3.15 3.82 0.48 1.29 0.04 -1.26 -5.05 135.00 131.17 1kxm s PRO 145 Ca 0.44 1.24 -0.19 0.00 0.04 0.00 0.00 61.00 62.54 1kxm s PRO 145 Cb -0.11 -2.10 -0.09 0.00 0.04 0.00 0.00 34.50 32.24 1kxm s PRO 145 CO 0.26 -0.40 0.99 -0.51 0.04 0.00 0.00 177.00 177.38 1kxm s ASP 146 N -2.27 6.63 0.03 6.66 1.01 -1.26 -5.00 116.67 122.47 1kxm s ASP 146 Ca 0.65 1.69 0.23 0.00 0.71 0.00 0.00 52.55 55.83 1kxm s ASP 146 Cb -0.14 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.24 1kxm s ASP 146 CO 0.23 -0.58 0.96 0.00 0.21 0.00 0.00 175.17 175.99 1kxm n ALA 147 N -1.15 3.57 -0.55 5.23 0.00 -1.26 -4.42 120.51 121.92 1kxm n ALA 147 Ca 0.07 -0.45 -0.17 0.00 0.00 0.00 0.00 53.44 52.90 1kxm n ALA 147 Cb 0.54 -0.92 0.11 0.00 0.00 0.00 0.00 19.45 19.18 1kxm n ALA 147 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1kxm n ASP 148 N -1.90 3.90 -4.19 0.00 5.75 -1.26 -1.85 116.55 117.00 1kxm n ASP 148 Ca 0.02 -3.10 -0.27 0.00 -0.01 0.00 0.00 54.79 51.42 1kxm n ASP 148 Cb 0.43 -0.76 -0.06 0.00 -1.03 0.00 0.00 41.12 39.70 1kxm n ASP 148 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1kxm n LYS 149 N -0.54 0.85 -3.90 0.11 4.76 -1.26 -4.96 118.16 113.22 1kxm n LYS 149 Ca 0.40 -3.23 -0.27 0.00 -2.87 0.00 0.00 58.31 52.35 1kxm n LYS 149 Cb 1.21 1.05 -0.00 0.00 -1.84 0.00 0.00 35.03 35.45 1kxm n LYS 149 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 1kxm s ASP 150 N -3.41 4.61 0.31 4.39 3.84 -1.26 -3.28 116.67 121.86 1kxm s ASP 150 Ca 0.04 -1.30 0.01 0.00 -0.00 0.00 0.00 52.55 51.30 1kxm s ASP 150 Cb 0.00 0.55 0.54 0.00 -1.38 0.00 0.00 42.92 42.64 1kxm s ASP 150 CO 0.03 -1.17 1.93 0.00 -0.00 0.00 0.00 175.17 175.96 1kxm h ALA 151 N 0.69 1.52 -0.60 2.11 0.00 -1.90 -1.69 119.26 119.38 1kxm h ALA 151 Ca -0.36 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 1kxm h ALA 151 Cb 1.31 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1kxm h ALA 151 CO 0.56 0.37 0.13 0.78 0.00 0.00 0.00 179.25 181.09 1kxm h GLY 152 N 1.00 1.02 0.97 0.00 0.00 -1.96 0.16 103.07 104.26 1kxm h GLY 152 Ca 0.36 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 1kxm h GLY 152 CO -0.12 0.57 -0.00 -1.82 0.00 0.00 0.00 176.54 175.17 1kxm h TYR 153 N 0.90 -0.00 -0.24 5.60 3.20 -1.73 -1.72 116.97 122.98 1kxm h TYR 153 Ca 0.19 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.07 1kxm h TYR 153 Cb 0.34 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 1kxm h TYR 153 CO 0.02 0.03 0.14 0.28 -1.64 0.00 0.00 178.16 176.99 1kxm h VAL 154 N -0.03 1.03 -0.06 1.81 2.07 -0.73 0.27 116.25 120.61 1kxm h VAL 154 Ca -0.00 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.43 1kxm h VAL 154 Cb 0.03 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1kxm h VAL 154 CO 0.00 0.05 -0.03 -0.09 0.02 0.00 0.00 177.57 177.53 1kxm h ARG 155 N 0.29 -0.02 -0.41 1.57 2.43 -0.64 -1.97 114.38 115.64 1kxm h ARG 155 Ca 0.09 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1kxm h ARG 155 Cb -0.01 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1kxm h ARG 155 CO -0.04 -0.01 0.06 1.15 -1.51 0.00 0.00 179.97 179.62 1kxm h THR 156 N -0.02 1.24 -0.53 0.20 2.02 -1.16 -2.76 112.91 111.91 1kxm h THR 156 Ca 0.03 -0.88 0.10 0.00 0.77 0.00 0.00 66.41 66.44 1kxm h THR 156 Cb 0.07 1.02 -0.09 0.00 -1.74 0.00 0.00 68.15 67.41 1kxm h THR 156 CO -0.07 0.30 -0.01 0.15 0.37 0.00 0.00 175.52 176.26 1kxm h PHE 157 N 0.53 -0.05 0.00 3.16 3.57 -0.22 -2.39 116.94 121.54 1kxm h PHE 157 Ca 0.12 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1kxm h PHE 157 Cb 0.37 0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.22 1kxm h PHE 157 CO 0.03 -0.13 0.00 0.74 -2.23 0.00 0.00 178.31 176.71 1kxm h PHE 158 N 0.11 0.00 -0.34 0.41 -1.00 -1.20 -2.40 116.94 112.52 1kxm h PHE 158 Ca 0.27 0.00 0.04 0.00 2.81 0.00 0.00 57.97 61.09 1kxm h PHE 158 Cb 0.41 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.95 1kxm h PHE 158 CO -0.33 0.00 0.23 1.96 -1.61 0.00 0.00 178.31 178.56 1kxm h GLN 159 N 0.00 0.27 0.00 1.51 4.20 -1.14 -0.97 115.11 118.99 1kxm h GLN 159 Ca 0.00 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1kxm h GLN 159 Cb 0.72 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.43 1kxm h GLN 159 CO 0.00 0.18 -0.09 -0.09 -0.67 0.00 0.00 178.83 178.16 1kxm h ARG 160 N 0.28 0.00 -0.62 1.46 2.43 -1.52 -1.01 114.38 115.40 1kxm h ARG 160 Ca 0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1kxm h ARG 160 Cb 0.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1kxm h ARG 160 CO -0.03 0.09 0.00 1.28 -1.51 0.00 0.00 179.97 179.80 1kxm n LEU 161 N -3.33 4.53 -3.78 3.80 4.77 -0.53 -1.90 117.00 120.55 1kxm n LEU 161 Ca -0.01 -2.40 -0.26 0.00 -0.03 0.00 0.00 56.01 53.31 1kxm n LEU 161 Cb 0.29 -0.55 0.04 0.00 -2.33 0.00 0.00 43.42 40.87 1kxm n LEU 161 CO 0.29 0.83 0.10 -3.20 -1.33 0.00 0.00 177.39 174.07 1kxm n ASN 162 N 1.07 -4.18 -4.48 -1.43 5.15 -0.38 -4.98 115.26 106.02 1kxm n ASN 162 Ca 0.25 -0.73 -0.33 0.00 -0.60 0.00 0.00 54.58 53.16 1kxm n ASN 162 Cb 0.83 -4.21 -0.13 0.00 -0.53 0.00 0.00 39.78 35.75 1kxm n ASN 162 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1kxm s MET 163 N -6.36 2.72 0.64 1.20 -1.94 -0.48 -5.01 119.30 110.07 1kxm s MET 163 Ca 0.47 -0.66 0.07 0.00 -1.71 0.00 0.00 55.69 53.86 1kxm s MET 163 Cb -0.23 -2.48 0.11 0.00 2.01 0.00 0.00 34.83 34.25 1kxm s MET 163 CO 0.80 0.56 0.89 0.54 -0.01 0.00 0.00 175.02 177.80 1kxm s ASN 164 N -0.55 4.76 0.19 3.03 2.20 -1.26 -4.00 114.94 119.31 1kxm s ASN 164 Ca 0.08 -0.77 -0.12 0.00 -0.94 0.00 0.00 52.86 51.11 1kxm s ASN 164 Cb -0.12 0.36 0.19 0.00 -2.00 0.00 0.00 41.25 39.69 1kxm s ASN 164 CO 0.02 -1.60 1.76 0.44 -2.94 0.00 0.00 177.10 174.78 1kxm h ASP 165 N -0.11 0.29 -0.62 3.54 3.32 -1.99 -0.81 116.42 120.04 1kxm h ASP 165 Ca -0.30 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 56.74 1kxm h ASP 165 Cb 1.28 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.81 1kxm h ASP 165 CO 0.39 0.19 0.17 0.03 -1.72 0.00 0.00 179.24 178.30 1kxm h ARG 166 N 0.45 1.01 -0.48 3.56 3.08 -1.96 -1.04 114.38 119.01 1kxm h ARG 166 Ca 0.26 -0.22 -0.13 0.00 0.07 0.00 0.00 59.98 59.96 1kxm h ARG 166 Cb 0.24 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1kxm h ARG 166 CO -0.23 0.89 -0.20 0.93 -1.07 0.00 0.00 179.97 180.29 1kxm h GLU 167 N 0.97 0.98 -0.23 0.04 5.08 -1.76 -0.78 114.58 118.87 1kxm h GLU 167 Ca 0.21 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1kxm h GLU 167 Cb 0.33 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1kxm h GLU 167 CO -0.00 1.09 0.10 0.28 -1.00 0.00 0.00 179.01 179.48 1kxm h VAL 168 N 0.83 1.15 -0.59 3.13 2.07 -0.90 0.68 116.25 122.62 1kxm h VAL 168 Ca 0.11 -0.44 -0.10 0.00 0.82 0.00 0.00 66.70 67.08 1kxm h VAL 168 Cb 0.78 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1kxm h VAL 168 CO 0.06 0.15 -0.03 0.58 0.02 0.00 0.00 177.57 178.36 1kxm h VAL 169 N 0.23 1.27 -0.11 2.57 2.07 -1.10 -0.87 116.25 120.31 1kxm h VAL 169 Ca 0.08 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 1kxm h VAL 169 Cb 0.14 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1kxm h VAL 169 CO -0.01 0.43 0.06 0.00 0.02 0.00 0.00 177.57 178.07 1kxm h ALA 170 N 0.97 0.14 -0.97 1.67 0.00 -1.04 -2.89 119.26 117.13 1kxm h ALA 170 Ca 0.16 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1kxm h ALA 170 Cb 0.59 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1kxm h ALA 170 CO 0.04 -0.34 0.63 -0.07 0.00 0.00 0.00 179.25 179.51 1kxm h LEU 171 N 0.09 1.05 -2.34 0.00 3.38 -0.66 -1.59 115.31 115.24 1kxm h LEU 171 Ca 0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1kxm h LEU 171 Cb 0.05 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1kxm h LEU 171 CO -0.01 0.72 0.00 -0.03 0.09 0.00 0.00 178.44 179.21 1kxm h MET 172 N 1.22 0.00 0.00 1.13 4.05 -0.95 -1.99 114.93 118.39 1kxm h MET 172 Ca 0.39 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.81 1kxm h MET 172 Cb 0.01 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.81 1kxm h MET 172 CO -0.12 0.00 0.00 0.78 0.23 0.00 0.00 176.91 177.80 1kxm h GLY 173 N 0.24 0.00 2.00 1.39 0.00 -1.21 0.47 103.07 105.96 1kxm h GLY 173 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1kxm h GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1kxm n ALA 174 N -2.07 1.31 1.57 3.60 0.00 -0.75 -1.57 120.51 122.60 1kxm n ALA 174 Ca -0.03 0.10 0.03 0.00 0.00 0.00 0.00 53.44 53.54 1kxm n ALA 174 Cb 0.09 -1.27 0.19 0.00 0.00 0.00 0.00 19.45 18.46 1kxm n ALA 174 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1kxm n HIS 175 N -2.02 0.00 0.29 0.00 8.25 0.16 -1.16 115.22 120.73 1kxm n HIS 175 Ca 0.01 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.64 1kxm n HIS 175 Cb 0.11 0.00 0.74 0.00 1.12 0.00 0.00 29.99 31.96 1kxm n HIS 175 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1kxm h ALA 176 N 2.82 1.00 -2.83 -1.41 0.00 -1.51 -3.46 119.26 113.86 1kxm h ALA 176 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 1kxm h ALA 176 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 1kxm h ALA 176 CO 0.00 0.00 -0.39 -0.51 0.00 0.00 0.00 179.25 178.35 1kxm s LEU 177 N -6.10 4.35 0.00 0.00 1.43 -0.31 -4.30 118.68 113.75 1kxm s LEU 177 Ca 0.01 0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.66 1kxm s LEU 177 Cb 0.09 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 44.06 1kxm s LEU 177 CO 0.52 0.29 0.00 0.61 0.23 0.00 0.00 176.35 178.00 1kxm n GLY 178 N 2.46 0.94 3.81 -3.19 0.00 -0.12 -4.91 105.19 104.17 1kxm n GLY 178 Ca -0.16 -0.72 -0.05 0.00 0.00 0.00 0.00 46.02 45.08 1kxm n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kxm s LYS 179 N 0.00 1.51 0.49 1.61 -2.85 -1.26 -4.19 119.74 115.05 1kxm s LYS 179 Ca 0.00 -0.83 -0.06 0.00 -1.00 0.00 0.00 55.97 54.08 1kxm s LYS 179 Cb 0.00 0.51 -0.04 0.00 -2.06 0.00 0.00 37.83 36.25 1kxm s LYS 179 CO 0.00 -0.69 0.80 0.95 0.10 0.00 0.00 175.35 176.51 1kxm s THR 180 N -3.61 4.89 -0.15 3.79 -4.23 -1.26 -5.00 115.64 110.06 1kxm s THR 180 Ca 0.12 0.27 -0.02 0.00 -1.18 0.00 0.00 61.69 60.88 1kxm s THR 180 Cb -0.04 -3.86 0.05 0.00 1.34 0.00 0.00 72.50 69.99 1kxm s THR 180 CO 0.05 -0.86 0.02 -1.00 -0.54 0.00 0.00 174.62 172.29 1kxm s HIS 181 N -2.76 0.94 0.23 3.99 0.09 -1.18 -2.71 115.29 113.88 1kxm s HIS 181 Ca 0.48 -0.64 -0.09 0.00 -0.00 0.00 0.00 55.06 54.81 1kxm s HIS 181 Cb -0.10 -0.97 0.37 0.00 -0.00 0.00 0.00 32.58 31.88 1kxm s HIS 181 CO 0.45 -0.52 1.65 1.25 -0.00 0.00 0.00 174.74 177.57 1kxm h LEU 182 N 8.27 -0.28 -2.11 0.89 5.85 -1.58 0.46 115.31 126.80 1kxm h LEU 182 Ca -0.18 0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1kxm h LEU 182 Cb 1.12 0.29 -0.00 0.00 0.37 0.00 0.00 40.66 42.44 1kxm h LEU 182 CO 0.32 -0.13 -0.08 0.11 -0.34 0.00 0.00 178.44 178.32 1kxm h LYS 183 N 0.13 0.00 0.07 1.25 6.56 -1.97 -0.57 116.57 122.04 1kxm h LYS 183 Ca 0.37 0.00 -0.28 0.00 -1.06 0.00 0.00 60.65 59.68 1kxm h LYS 183 Cb 0.62 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.26 1kxm h LYS 183 CO -0.58 0.08 -1.48 -0.91 -2.06 0.00 0.00 179.45 174.49 1kxm h ASN 184 N 0.00 0.24 0.00 0.86 2.35 -0.49 -3.44 115.58 115.10 1kxm h ASN 184 Ca -0.00 -0.76 0.00 0.00 -0.55 0.00 0.00 56.30 54.99 1kxm h ASN 184 Cb 0.19 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1kxm h ASN 184 CO 0.01 1.62 0.00 -1.54 -1.65 0.00 0.00 177.43 175.87 1kxm n SER 185 N -4.01 0.25 0.00 5.81 3.41 -0.32 -4.66 113.62 114.09 1kxm n SER 185 Ca -0.29 -0.58 0.00 0.00 -0.26 0.00 0.00 58.87 57.74 1kxm n SER 185 Cb 0.85 0.42 0.00 0.00 -0.26 0.00 0.00 64.21 65.22 1kxm n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kxm n GLY 186 N 0.42 0.47 3.20 5.00 0.00 -0.23 -5.03 105.19 109.02 1kxm n GLY 186 Ca 0.00 -0.75 -0.27 0.00 0.00 0.00 0.00 46.02 45.00 1kxm n GLY 186 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kxm s TYR 187 N -2.00 1.78 -0.31 1.61 2.02 -1.26 -4.60 117.35 114.59 1kxm s TYR 187 Ca 0.00 -0.35 -0.20 0.00 -0.37 0.00 0.00 57.07 56.15 1kxm s TYR 187 Cb 0.00 -1.15 -0.01 0.00 -0.40 0.00 0.00 41.96 40.40 1kxm s TYR 187 CO 0.00 -0.04 0.61 -2.00 -1.57 0.00 0.00 175.55 172.55 1kxm s GLU 188 N -0.44 3.88 0.30 -0.62 2.56 -1.26 -1.34 118.70 121.79 1kxm s GLU 188 Ca 0.07 0.26 -0.28 0.00 0.00 0.00 0.00 54.97 55.02 1kxm s GLU 188 Cb -0.08 -3.73 -0.14 0.00 2.00 0.00 0.00 34.13 32.18 1kxm s GLU 188 CO -0.01 -0.57 1.05 0.41 -0.56 0.00 0.00 175.26 175.59 1kxm n GLY 189 N 4.46 -0.13 0.00 -1.50 0.00 -1.10 -4.84 105.19 102.08 1kxm n GLY 189 Ca -0.02 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1kxm n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kxm n GLY 190 N 1.15 4.26 3.69 -0.02 0.00 -1.26 -4.95 105.19 108.06 1kxm n GLY 190 Ca 0.09 -2.07 -0.44 0.00 0.00 0.00 0.00 46.02 43.60 1kxm n GLY 190 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kxm n GLY 191 N 5.00 0.88 3.30 -0.02 0.00 -0.21 -4.91 105.19 109.22 1kxm n GLY 191 Ca 0.00 0.47 -0.29 0.00 0.00 0.00 0.00 46.02 46.20 1kxm n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kxm s ALA 192 N -0.15 2.05 0.07 4.61 0.00 -1.26 -4.84 121.76 122.24 1kxm s ALA 192 Ca 0.66 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 51.51 1kxm s ALA 192 Cb -0.61 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 1kxm s ALA 192 CO 0.51 0.49 -0.06 1.21 0.00 0.00 0.00 175.76 177.91 1kxm s ASN 193 N -0.90 0.88 -0.12 0.00 3.04 -1.26 -4.95 114.94 111.63 1kxm s ASN 193 Ca 0.10 -0.86 0.19 0.00 0.04 0.00 0.00 52.86 52.32 1kxm s ASN 193 Cb -0.09 0.10 0.43 0.00 -1.54 0.00 0.00 41.25 40.15 1kxm s ASN 193 CO 0.01 -0.42 1.19 -0.46 -3.04 0.00 0.00 177.10 174.37 1kxm n ASN 194 N 0.45 1.56 -4.15 -4.21 0.23 -1.26 -0.95 115.26 106.94 1kxm n ASN 194 Ca -0.16 -2.88 -0.32 0.00 -0.53 0.00 0.00 54.58 50.69 1kxm n ASN 194 Cb 0.59 -0.41 -0.16 0.00 -2.08 0.00 0.00 39.78 37.72 1kxm n ASN 194 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1kxm s VAL 195 N -1.86 2.01 -0.35 3.53 1.01 -1.26 -4.70 120.40 118.78 1kxm s VAL 195 Ca 0.36 -0.94 -0.27 0.00 0.00 0.00 0.00 61.98 61.13 1kxm s VAL 195 Cb 0.38 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.98 1kxm s VAL 195 CO -0.11 0.54 1.00 0.12 0.00 0.00 0.00 175.10 176.65 1kxm s PHE 196 N 0.96 3.11 0.30 5.22 2.19 0.62 -4.87 117.98 125.50 1kxm s PHE 196 Ca -0.04 0.98 0.01 0.00 0.33 0.00 0.00 56.93 58.22 1kxm s PHE 196 Cb -0.15 -3.69 -0.00 0.00 -1.31 0.00 0.00 43.02 37.87 1kxm s PHE 196 CO -0.05 -0.81 0.37 0.25 1.83 0.00 0.00 175.22 176.81 1kxm n THR 197 N 5.95 0.00 0.29 0.12 -2.24 -1.26 -4.20 114.28 112.94 1kxm n THR 197 Ca 0.10 -1.70 0.02 0.00 -2.27 0.00 0.00 64.05 60.20 1kxm n THR 197 Cb 0.48 0.97 0.14 0.00 -2.10 0.00 0.00 70.33 69.82 1kxm n THR 197 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1kxm n ASN 198 N -1.75 2.80 0.17 3.42 6.94 -1.26 -4.44 115.26 121.13 1kxm n ASN 198 Ca 0.02 -2.37 0.17 0.00 -0.02 0.00 0.00 54.58 52.39 1kxm n ASN 198 Cb 0.51 -0.57 0.78 0.00 -2.36 0.00 0.00 39.78 38.13 1kxm n ASN 198 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1kxm h GLU 199 N 1.38 0.00 -0.66 -3.83 4.57 -1.95 -2.25 114.58 111.85 1kxm h GLU 199 Ca 0.02 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1kxm h GLU 199 Cb 1.10 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.66 1kxm h GLU 199 CO 0.20 0.00 0.36 0.35 -1.18 0.00 0.00 179.01 178.74 1kxm h PHE 200 N 0.00 0.89 -0.07 0.92 3.57 -1.84 0.18 116.94 120.60 1kxm h PHE 200 Ca 0.11 -0.01 -0.25 0.00 3.53 0.00 0.00 57.97 61.35 1kxm h PHE 200 Cb 0.56 -0.29 0.02 0.00 2.79 0.00 0.00 35.95 39.02 1kxm h PHE 200 CO 0.00 0.63 -0.93 1.88 -2.23 0.00 0.00 178.31 177.66 1kxm h TYR 201 N 0.92 1.07 -0.04 0.41 -1.99 -1.76 -2.28 116.97 113.30 1kxm h TYR 201 Ca 0.23 -0.53 0.00 0.00 2.00 0.00 0.00 58.73 60.44 1kxm h TYR 201 Cb 0.03 -0.14 -0.00 0.00 2.00 0.00 0.00 36.73 38.62 1kxm h TYR 201 CO 0.01 1.37 0.02 -0.07 -0.00 0.00 0.00 178.16 179.48 1kxm h LEU 202 N 0.46 0.02 -0.07 3.88 4.07 -1.45 -1.71 115.31 120.51 1kxm h LEU 202 Ca -0.10 0.00 0.03 0.00 0.08 0.00 0.00 57.88 57.90 1kxm h LEU 202 Cb 1.57 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 43.28 1kxm h LEU 202 CO 0.19 0.02 -0.11 0.78 -1.08 0.00 0.00 178.44 178.24 1kxm h ASN 203 N 0.04 -0.33 -0.56 -0.43 2.35 -1.00 0.40 115.58 116.05 1kxm h ASN 203 Ca 0.02 0.06 0.11 0.00 -0.55 0.00 0.00 56.30 55.94 1kxm h ASN 203 Cb 0.01 0.16 -0.09 0.00 0.05 0.00 0.00 38.32 38.44 1kxm h ASN 203 CO -0.02 -0.15 0.00 -0.07 -1.65 0.00 0.00 177.43 175.54 1kxm h LEU 204 N -0.15 -0.24 0.00 1.61 3.38 -1.11 -0.18 115.31 118.61 1kxm h LEU 204 Ca 0.06 0.14 -0.18 0.00 0.09 0.00 0.00 57.88 57.99 1kxm h LEU 204 Cb 0.24 0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1kxm h LEU 204 CO -0.16 -0.09 -0.91 -0.07 0.09 0.00 0.00 178.44 177.30 1kxm h LEU 205 N 0.12 0.00 0.00 1.67 3.38 -0.80 -3.38 115.31 116.30 1kxm h LEU 205 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1kxm h LEU 205 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1kxm h LEU 205 CO -0.48 0.83 -1.63 0.59 0.09 0.00 0.00 178.44 177.85 1kxm n ASN 206 N -3.27 1.11 -4.88 -0.43 5.03 0.14 -4.98 115.26 107.97 1kxm n ASN 206 Ca -0.01 -0.12 -0.29 0.00 0.87 0.00 0.00 54.58 55.02 1kxm n ASN 206 Cb 0.88 1.66 -0.01 0.00 -1.02 0.00 0.00 39.78 41.29 1kxm n ASN 206 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1kxm s GLU 207 N -3.08 3.64 -0.76 3.52 0.41 -0.11 -5.01 118.70 117.31 1kxm s GLU 207 Ca -0.04 0.49 -0.17 0.00 -0.41 0.00 0.00 54.97 54.84 1kxm s GLU 207 Cb 0.11 -2.26 0.15 0.00 -1.78 0.00 0.00 34.13 30.35 1kxm s GLU 207 CO 0.69 -0.30 0.82 0.34 -0.49 0.00 0.00 175.26 176.33 1kxm s ASP 208 N -3.87 6.50 0.05 -0.19 2.15 -1.26 -4.98 116.67 115.07 1kxm s ASP 208 Ca 0.51 -2.05 -0.19 0.00 0.43 0.00 0.00 52.55 51.25 1kxm s ASP 208 Cb -0.10 -2.29 -0.06 0.00 -0.30 0.00 0.00 42.92 40.16 1kxm s ASP 208 CO 0.44 -0.90 0.56 0.26 -0.17 0.00 0.00 175.17 175.36 1kxm s TRP 209 N 1.75 3.78 -0.05 -5.34 0.52 -1.26 -4.11 118.94 114.23 1kxm s TRP 209 Ca 0.19 1.23 0.05 0.00 0.02 0.00 0.00 56.10 57.58 1kxm s TRP 209 Cb -0.15 -2.50 -0.00 0.00 -1.15 0.00 0.00 33.47 29.67 1kxm s TRP 209 CO -0.03 0.55 -0.19 0.15 0.02 0.00 0.00 176.95 177.44 1kxm s LYS 210 N -0.93 2.05 -0.43 4.98 1.02 0.15 -4.91 119.74 121.67 1kxm s LYS 210 Ca 0.29 -0.70 -0.29 0.00 0.02 0.00 0.00 55.97 55.29 1kxm s LYS 210 Cb -0.19 -1.75 0.02 0.00 -0.52 0.00 0.00 37.83 35.39 1kxm s LYS 210 CO 0.18 0.27 1.32 -1.17 -0.92 0.00 0.00 175.35 175.03 1kxm s LEU 211 N 0.02 3.61 0.31 3.17 2.96 -1.26 -0.67 118.68 126.81 1kxm s LEU 211 Ca -0.05 0.72 0.07 0.00 -0.22 0.00 0.00 54.13 54.66 1kxm s LEU 211 Cb -0.13 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.96 1kxm s LEU 211 CO 0.03 -1.37 -0.06 -1.61 -1.32 0.00 0.00 176.35 172.02 1kxm s GLU 212 N 4.77 1.65 -0.13 1.98 2.02 -0.30 -4.97 118.70 123.72 1kxm s GLU 212 Ca 0.57 -1.85 -0.06 0.00 0.02 0.00 0.00 54.97 53.65 1kxm s GLU 212 Cb -0.12 -1.31 -0.04 0.00 0.10 0.00 0.00 34.13 32.76 1kxm s GLU 212 CO 0.32 0.05 0.08 0.15 0.02 0.00 0.00 175.26 175.88 1kxm s LYS 213 N -3.70 3.46 0.63 1.61 -0.14 -1.26 -1.57 119.74 118.77 1kxm s LYS 213 Ca 0.31 -0.27 0.06 0.00 -1.36 0.00 0.00 55.97 54.71 1kxm s LYS 213 Cb 0.04 -3.08 0.10 0.00 -1.68 0.00 0.00 37.83 33.21 1kxm s LYS 213 CO 0.14 0.62 0.87 0.54 -0.76 0.00 0.00 175.35 176.75 1kxm s ASN 214 N -0.60 4.81 0.09 2.83 2.20 0.49 -4.92 114.94 119.85 1kxm s ASN 214 Ca 0.11 -0.68 0.10 0.00 -0.94 0.00 0.00 52.86 51.45 1kxm s ASN 214 Cb -0.12 0.20 0.47 0.00 -2.00 0.00 0.00 41.25 39.80 1kxm s ASN 214 CO 0.02 -1.54 1.31 0.47 -2.94 0.00 0.00 177.10 174.42 1kxm n ASP 215 N -2.46 0.18 -1.04 3.54 8.00 -1.26 0.15 116.55 123.65 1kxm n ASP 215 Ca 0.16 0.57 0.11 0.00 0.71 0.00 0.00 54.79 56.33 1kxm n ASP 215 Cb 0.61 -0.60 0.27 0.00 -0.02 0.00 0.00 41.12 41.38 1kxm n ASP 215 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kxm n ALA 216 N -1.58 2.43 -1.79 2.24 0.00 -1.26 -4.94 120.51 115.61 1kxm n ALA 216 Ca 0.01 -0.95 -0.09 0.00 0.00 0.00 0.00 53.44 52.41 1kxm n ALA 216 Cb 0.07 -0.95 -0.02 0.00 0.00 0.00 0.00 19.45 18.55 1kxm n ALA 216 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1kxm n ASN 217 N 1.19 -3.43 -4.68 0.00 4.05 0.12 -5.04 115.26 107.48 1kxm n ASN 217 Ca 0.19 0.08 -0.32 0.00 0.45 0.00 0.00 54.58 54.98 1kxm n ASN 217 Cb 0.51 -2.30 -0.09 0.00 1.23 0.00 0.00 39.78 39.14 1kxm n ASN 217 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 1kxm s ASN 218 N -2.74 5.07 0.23 1.20 0.02 -1.26 -4.84 114.94 112.62 1kxm s ASN 218 Ca 0.00 -0.05 -0.19 0.00 -1.02 0.00 0.00 52.86 51.60 1kxm s ASN 218 Cb 0.00 -1.29 -0.08 0.00 0.02 0.00 0.00 41.25 39.89 1kxm s ASN 218 CO 0.00 0.26 0.71 -1.61 0.02 0.00 0.00 177.10 176.48 1kxm s GLU 219 N -1.70 4.20 0.13 -0.60 2.02 -1.26 -0.38 118.70 121.12 1kxm s GLU 219 Ca 0.21 0.82 -0.16 0.00 0.02 0.00 0.00 54.97 55.85 1kxm s GLU 219 Cb -0.12 -2.83 0.04 0.00 0.10 0.00 0.00 34.13 31.32 1kxm s GLU 219 CO 0.12 0.37 0.42 1.14 0.02 0.00 0.00 175.26 177.33 1kxm s GLN 220 N -2.09 1.10 -0.21 1.61 -2.07 -0.61 -4.57 119.66 112.82 1kxm s GLN 220 Ca 0.44 -0.71 -0.13 0.00 -1.82 0.00 0.00 55.36 53.13 1kxm s GLN 220 Cb -0.16 0.48 -0.04 0.00 -1.09 0.00 0.00 33.01 32.19 1kxm s GLN 220 CO 0.20 -0.44 0.28 -1.58 -1.32 0.00 0.00 175.29 172.43 1kxm s TRP 221 N -3.81 3.36 0.07 9.60 0.52 -0.17 -1.15 118.94 127.36 1kxm s TRP 221 Ca 0.03 0.43 0.08 0.00 0.02 0.00 0.00 56.10 56.67 1kxm s TRP 221 Cb 0.02 -2.38 -0.03 0.00 -1.15 0.00 0.00 33.47 29.92 1kxm s TRP 221 CO -0.11 0.05 -0.22 -0.51 0.02 0.00 0.00 176.95 176.18 1kxm s ASP 222 N 0.97 2.67 0.13 2.95 1.01 0.15 0.48 116.67 125.03 1kxm s ASP 222 Ca 0.13 -0.61 0.11 0.00 0.71 0.00 0.00 52.55 52.89 1kxm s ASP 222 Cb -0.14 -0.19 -0.04 0.00 1.01 0.00 0.00 42.92 43.56 1kxm s ASP 222 CO 0.06 0.14 -0.25 -0.94 0.21 0.00 0.00 175.17 174.39 1kxm s SER 223 N -1.53 3.46 0.40 0.27 1.04 -0.36 0.32 113.70 117.29 1kxm s SER 223 Ca 0.08 -0.72 0.18 0.00 0.48 0.00 0.00 55.95 55.98 1kxm s SER 223 Cb -0.09 -0.30 1.10 0.00 0.10 0.00 0.00 66.02 66.83 1kxm s SER 223 CO 0.03 0.18 1.78 0.50 0.98 0.00 0.00 173.24 176.70 1kxm h LYS 224 N 3.79 0.39 0.00 4.02 3.11 -1.89 0.78 116.57 126.77 1kxm h LYS 224 Ca -0.50 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.31 1kxm h LYS 224 Cb 1.17 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 32.32 1kxm h LYS 224 CO 0.41 0.26 0.00 -1.13 -2.81 0.00 0.00 179.45 176.18 1kxm n SER 225 N -4.62 0.00 0.00 4.20 3.41 -1.26 -4.83 113.62 110.53 1kxm n SER 225 Ca 0.25 -0.61 0.00 0.00 -0.26 0.00 0.00 58.87 58.25 1kxm n SER 225 Cb 0.86 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.79 1kxm n SER 225 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kxm n GLY 226 N 0.31 0.76 3.88 5.00 0.00 0.27 -4.92 105.19 110.49 1kxm n GLY 226 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1kxm n GLY 226 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kxm s TYR 227 N -2.28 3.57 0.03 1.61 2.02 -1.24 -1.05 117.35 120.01 1kxm s TYR 227 Ca 0.00 1.11 -0.01 0.00 -0.37 0.00 0.00 57.07 57.79 1kxm s TYR 227 Cb 0.00 -2.63 -0.02 0.00 -0.40 0.00 0.00 41.96 38.91 1kxm s TYR 227 CO 0.00 -0.62 -0.00 1.41 -1.57 0.00 0.00 175.55 174.76 1kxm s MET 228 N -5.06 0.42 0.01 -0.62 -2.45 -1.26 -1.22 119.30 109.12 1kxm s MET 228 Ca 0.53 -0.75 0.01 0.00 -1.25 0.00 0.00 55.69 54.23 1kxm s MET 228 Cb -0.11 0.15 -0.01 0.00 1.25 0.00 0.00 34.83 36.12 1kxm s MET 228 CO 0.51 -0.08 -0.04 -1.64 1.05 0.00 0.00 175.02 174.82 1kxm s MET 229 N -2.14 0.34 0.52 4.11 -1.94 0.18 -4.92 119.30 115.44 1kxm s MET 229 Ca -0.09 -0.27 -0.18 0.00 -1.71 0.00 0.00 55.69 53.44 1kxm s MET 229 Cb -0.05 -0.26 -0.07 0.00 2.01 0.00 0.00 34.83 36.46 1kxm s MET 229 CO -0.03 0.06 1.01 -0.51 -0.01 0.00 0.00 175.02 175.54 1kxm s LEU 230 N -0.44 3.68 0.36 -0.03 1.43 -1.26 -1.00 118.68 121.42 1kxm s LEU 230 Ca -0.02 1.72 0.12 0.00 -1.03 0.00 0.00 54.13 54.92 1kxm s LEU 230 Cb -0.03 -4.53 0.92 0.00 0.03 0.00 0.00 46.19 42.57 1kxm s LEU 230 CO -0.00 -0.75 1.81 -0.65 0.23 0.00 0.00 176.35 176.99 1kxm h PRO 231 N 1.05 0.57 0.00 1.29 0.11 -1.80 0.25 132.00 133.46 1kxm h PRO 231 Ca -0.48 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.51 1kxm h PRO 231 Cb 1.20 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1kxm h PRO 231 CO 0.60 0.38 -0.44 1.79 -0.21 0.00 0.00 178.00 180.11 1kxm h THR 232 N 0.58 1.17 -0.02 -1.15 1.35 -1.35 -1.65 112.91 111.84 1kxm h THR 232 Ca 0.54 -1.60 -0.00 0.00 -0.55 0.00 0.00 66.41 64.80 1kxm h THR 232 Cb 1.08 1.90 -0.00 0.00 -1.73 0.00 0.00 68.15 69.39 1kxm h THR 232 CO -0.29 0.43 0.01 0.44 -0.25 0.00 0.00 175.52 175.87 1kxm h ASP 233 N 0.00 0.03 0.22 5.36 3.32 -0.90 -3.10 116.42 121.35 1kxm h ASP 233 Ca -0.00 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 1kxm h ASP 233 Cb 0.86 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.40 1kxm h ASP 233 CO 0.06 0.18 -0.12 0.22 -1.72 0.00 0.00 179.24 177.86 1kxm h TYR 234 N -0.12 0.00 0.00 4.55 5.03 -0.88 -1.28 116.97 124.28 1kxm h TYR 234 Ca 0.01 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.32 1kxm h TYR 234 Cb 0.16 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.44 1kxm h TYR 234 CO -0.02 0.12 -0.01 0.66 -1.32 0.00 0.00 178.16 177.58 1kxm h SER 235 N 0.00 0.00 0.82 -2.11 4.64 -1.22 0.17 113.55 115.85 1kxm h SER 235 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1kxm h SER 235 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1kxm h SER 235 CO 0.02 0.01 0.00 -0.07 -0.87 0.00 0.00 176.83 175.92 1kxm h LEU 236 N 0.00 0.00 -0.70 5.97 3.38 -1.33 -1.55 115.31 121.09 1kxm h LEU 236 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1kxm h LEU 236 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1kxm h LEU 236 CO 0.00 0.00 -0.36 2.30 0.09 0.00 0.00 178.44 180.48 1kxm n ILE 237 N -3.03 0.00 0.08 1.22 -5.35 0.02 -1.51 119.36 110.78 1kxm n ILE 237 Ca 0.00 -0.32 -0.19 0.00 -0.27 0.00 0.00 62.75 61.97 1kxm n ILE 237 Cb 0.26 1.14 -0.15 0.00 -1.74 0.00 0.00 39.64 39.15 1kxm n ILE 237 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1kxm h GLN 238 N 1.31 0.32 -6.11 6.28 4.20 -1.08 -3.45 115.11 116.58 1kxm h GLN 238 Ca 0.00 -0.55 -0.56 0.00 0.06 0.00 0.00 58.65 57.60 1kxm h GLN 238 Cb 0.46 0.20 -0.05 0.00 0.30 0.00 0.00 27.48 28.39 1kxm h GLN 238 CO 0.00 1.21 0.32 0.34 -0.67 0.00 0.00 178.83 180.03 1kxm s ASP 239 N -7.14 7.09 0.51 1.46 2.15 -0.64 -4.96 116.67 115.13 1kxm s ASP 239 Ca -0.10 1.32 0.28 0.00 0.43 0.00 0.00 52.55 54.48 1kxm s ASP 239 Cb 0.06 -2.48 1.34 0.00 -0.30 0.00 0.00 42.92 41.54 1kxm s ASP 239 CO 0.87 -0.29 2.01 1.55 -0.17 0.00 0.00 175.17 179.13 1kxm h PRO 240 N 7.03 0.00 0.15 4.34 0.13 -1.90 0.11 132.00 141.86 1kxm h PRO 240 Ca -0.35 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.51 1kxm h PRO 240 Cb 1.17 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.33 1kxm h PRO 240 CO 0.80 0.14 -1.13 0.87 -0.23 0.00 0.00 178.00 178.44 1kxm h LYS 241 N 0.00 0.50 -0.43 0.86 1.57 -1.93 -2.90 116.57 114.25 1kxm h LYS 241 Ca -0.00 -0.74 -0.01 0.00 -1.87 0.00 0.00 60.65 58.03 1kxm h LYS 241 Cb 0.46 0.26 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 1kxm h LYS 241 CO 0.02 1.33 0.22 1.88 -0.57 0.00 0.00 179.45 182.33 1kxm h TYR 242 N 0.03 0.60 -0.80 -1.35 0.99 -1.75 -3.08 116.97 111.62 1kxm h TYR 242 Ca -0.18 -0.02 0.06 0.00 2.00 0.00 0.00 58.73 60.59 1kxm h TYR 242 Cb 1.85 -0.19 -0.06 0.00 1.00 0.00 0.00 36.73 39.33 1kxm h TYR 242 CO 0.14 0.48 0.48 1.25 -0.00 0.00 0.00 178.16 180.51 1kxm h LEU 243 N 0.56 0.74 -1.21 3.88 5.85 0.31 0.65 115.31 126.09 1kxm h LEU 243 Ca 0.15 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.98 1kxm h LEU 243 Cb 0.09 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 40.93 1kxm h LEU 243 CO -0.02 0.47 0.57 0.28 -0.34 0.00 0.00 178.44 179.40 1kxm h SER 244 N 0.87 0.81 0.30 1.25 0.02 -1.42 -0.06 113.55 115.32 1kxm h SER 244 Ca 0.35 0.02 -0.28 0.00 -0.84 0.00 0.00 61.79 61.04 1kxm h SER 244 Cb 0.18 -0.15 0.02 0.00 0.14 0.00 0.00 62.40 62.59 1kxm h SER 244 CO -0.18 0.49 -1.20 0.40 -1.14 0.00 0.00 176.83 175.21 1kxm h ILE 245 N 0.90 1.36 -0.44 3.27 2.04 -1.08 -2.00 117.51 121.56 1kxm h ILE 245 Ca 0.39 -2.61 0.08 0.00 1.00 0.00 0.00 64.86 63.71 1kxm h ILE 245 Cb 0.33 2.72 -0.06 0.00 -0.74 0.00 0.00 36.82 39.07 1kxm h ILE 245 CO -0.16 0.78 0.06 0.58 0.00 0.00 0.00 178.15 179.41 1kxm h VAL 246 N 0.21 0.72 -0.28 1.67 2.07 -0.69 -0.31 116.25 119.64 1kxm h VAL 246 Ca -0.16 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 1kxm h VAL 246 Cb 1.88 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 1kxm h VAL 246 CO 0.22 0.03 0.03 0.11 0.02 0.00 0.00 177.57 177.98 1kxm h LYS 247 N 0.18 0.42 -0.27 1.57 1.57 -0.87 -0.84 116.57 118.33 1kxm h LYS 247 Ca 0.22 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1kxm h LYS 247 Cb 0.29 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1kxm h LYS 247 CO -0.31 0.43 0.03 1.49 -0.57 0.00 0.00 179.45 180.51 1kxm h GLU 248 N 0.41 0.45 -0.03 3.15 4.81 -0.41 -2.65 114.58 120.31 1kxm h GLU 248 Ca 0.09 -0.13 -0.12 0.00 -0.13 0.00 0.00 59.36 59.07 1kxm h GLU 248 Cb 0.23 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1kxm h GLU 248 CO 0.00 0.59 -0.55 1.88 -0.73 0.00 0.00 179.01 180.20 1kxm h TYR 249 N 0.26 0.11 0.00 0.92 0.99 -0.86 -1.65 116.97 116.74 1kxm h TYR 249 Ca 0.08 -0.04 -0.03 0.00 2.00 0.00 0.00 58.73 60.74 1kxm h TYR 249 Cb 0.36 -0.02 -0.00 0.00 1.00 0.00 0.00 36.73 38.07 1kxm h TYR 249 CO 0.03 0.62 -0.15 0.00 -0.00 0.00 0.00 178.16 178.65 1kxm h ALA 250 N 1.37 1.22 -0.39 3.88 0.00 -0.96 -2.72 119.26 121.67 1kxm h ALA 250 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1kxm h ALA 250 Cb 0.99 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1kxm h ALA 250 CO 0.08 0.19 0.00 0.09 0.00 0.00 0.00 179.25 179.61 1kxm n ASN 251 N -3.60 3.08 -3.24 0.00 3.02 -0.95 -4.81 115.26 108.76 1kxm n ASN 251 Ca -0.01 -2.03 -0.03 0.00 -0.03 0.00 0.00 54.58 52.47 1kxm n ASN 251 Cb 0.29 -0.27 -0.03 0.00 -0.61 0.00 0.00 39.78 39.16 1kxm n ASN 251 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1kxm s ASP 252 N -1.02 -0.91 0.21 6.41 -1.08 -0.66 -5.00 116.67 114.62 1kxm s ASP 252 Ca 0.27 -0.97 -0.09 0.00 -0.52 0.00 0.00 52.55 51.24 1kxm s ASP 252 Cb 0.14 1.64 0.21 0.00 -1.46 0.00 0.00 42.92 43.46 1kxm s ASP 252 CO 0.18 -0.19 1.85 1.56 0.52 0.00 0.00 175.17 179.08 1kxm h GLN 253 N 7.01 0.86 -0.56 4.34 4.20 -1.88 -1.83 115.11 127.25 1kxm h GLN 253 Ca 0.05 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 1kxm h GLN 253 Cb 1.15 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.72 1kxm h GLN 253 CO 0.12 0.57 0.02 0.22 -0.67 0.00 0.00 178.83 179.09 1kxm h ASP 254 N 0.88 0.94 -0.45 1.46 3.58 -1.94 -1.46 116.42 119.44 1kxm h ASP 254 Ca 0.30 -0.30 -0.12 0.00 0.42 0.00 0.00 57.03 57.34 1kxm h ASP 254 Cb 0.04 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.82 1kxm h ASP 254 CO -0.12 1.01 -0.16 0.50 -2.88 0.00 0.00 179.24 177.59 1kxm h LYS 255 N 0.85 0.94 -0.21 0.28 1.63 -1.89 -0.81 116.57 117.37 1kxm h LYS 255 Ca 0.16 -0.36 0.01 0.00 -0.85 0.00 0.00 60.65 59.61 1kxm h LYS 255 Cb 0.51 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.07 1kxm h LYS 255 CO 0.02 1.02 0.10 0.35 -3.45 0.00 0.00 179.45 177.50 1kxm h PHE 256 N 0.83 0.19 -0.61 1.91 3.57 -1.07 -0.06 116.94 121.70 1kxm h PHE 256 Ca 0.12 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.70 1kxm h PHE 256 Cb 0.71 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.33 1kxm h PHE 256 CO 0.04 0.11 0.30 0.74 -2.23 0.00 0.00 178.31 177.27 1kxm h PHE 257 N 0.22 0.54 -0.32 0.41 0.05 -0.87 0.52 116.94 117.50 1kxm h PHE 257 Ca 0.09 0.03 -0.07 0.00 3.82 0.00 0.00 57.97 61.83 1kxm h PHE 257 Cb 0.02 -0.15 -0.01 0.00 2.00 0.00 0.00 35.95 37.81 1kxm h PHE 257 CO -0.09 0.23 -0.07 -0.22 -0.18 0.00 0.00 178.31 177.97 1kxm h LYS 258 N 0.55 0.61 -0.50 1.51 3.64 -0.81 -0.36 116.57 121.22 1kxm h LYS 258 Ca 0.28 -0.23 -0.12 0.00 -1.27 0.00 0.00 60.65 59.31 1kxm h LYS 258 Cb 0.23 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 1kxm h LYS 258 CO -0.21 0.79 -0.17 -0.44 -2.27 0.00 0.00 179.45 177.14 1kxm h ASP 259 N 0.38 1.01 -0.59 4.20 3.32 -0.62 -2.60 116.42 121.53 1kxm h ASP 259 Ca 0.08 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1kxm h ASP 259 Cb 0.56 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 1kxm h ASP 259 CO 0.03 1.16 0.38 0.15 -1.72 0.00 0.00 179.24 179.24 1kxm h PHE 260 N 0.87 0.75 -0.16 4.55 3.57 0.13 -1.53 116.94 125.12 1kxm h PHE 260 Ca 0.12 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.65 1kxm h PHE 260 Cb 0.74 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 1kxm h PHE 260 CO 0.05 0.48 0.06 1.03 -2.23 0.00 0.00 178.31 177.70 1kxm h SER 261 N 0.80 0.08 -0.30 0.41 0.87 -0.80 0.18 113.55 114.79 1kxm h SER 261 Ca 0.21 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1kxm h SER 261 Cb -0.07 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 1kxm h SER 261 CO -0.04 0.07 0.18 0.11 -0.53 0.00 0.00 176.83 176.61 1kxm h LYS 262 N 0.15 0.40 -0.07 2.24 1.57 -1.39 -1.12 116.57 118.34 1kxm h LYS 262 Ca 0.07 -0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 58.64 1kxm h LYS 262 Cb 0.03 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1kxm h LYS 262 CO -0.06 0.31 -0.68 0.00 -0.57 0.00 0.00 179.45 178.44 1kxm h ALA 263 N 1.07 0.69 -0.35 3.86 0.00 -0.93 -0.05 119.26 123.56 1kxm h ALA 263 Ca 0.11 -0.59 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 1kxm h ALA 263 Cb 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1kxm h ALA 263 CO -0.02 0.76 -0.12 0.35 0.00 0.00 0.00 179.25 180.22 1kxm h PHE 264 N 0.23 0.79 -0.25 0.00 -0.00 -0.56 0.66 116.94 117.82 1kxm h PHE 264 Ca -0.02 -0.18 -0.01 0.00 -0.00 0.00 0.00 57.97 57.76 1kxm h PHE 264 Cb 1.23 -0.19 -0.01 0.00 -0.00 0.00 0.00 35.95 36.98 1kxm h PHE 264 CO 0.03 0.88 0.13 1.49 -0.00 0.00 0.00 178.31 180.84 1kxm h GLU 265 N 0.48 0.35 -0.45 1.11 4.81 -1.10 -1.83 114.58 117.95 1kxm h GLU 265 Ca 0.08 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.34 1kxm h GLU 265 Cb 0.64 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.89 1kxm h GLU 265 CO 0.04 0.32 0.08 -0.22 -0.73 0.00 0.00 179.01 178.50 1kxm h LYS 266 N 0.28 0.21 -0.38 1.92 3.64 -0.90 -0.72 116.57 120.61 1kxm h LYS 266 Ca 0.09 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.51 1kxm h LYS 266 Cb 0.08 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 1kxm h LYS 266 CO -0.01 0.14 0.06 1.25 -2.27 0.00 0.00 179.45 178.62 1kxm h LEU 267 N 0.21 -0.01 -1.02 5.20 5.85 -0.61 1.00 115.31 125.92 1kxm h LEU 267 Ca 0.22 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1kxm h LEU 267 Cb 0.28 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1kxm h LEU 267 CO -0.29 0.03 0.00 -0.07 -0.34 0.00 0.00 178.44 177.77 1kxm h LEU 268 N 0.19 0.00 -0.35 2.25 3.38 -0.73 -3.07 115.31 116.98 1kxm h LEU 268 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1kxm h LEU 268 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1kxm h LEU 268 CO -0.25 0.00 -0.38 -0.62 0.09 0.00 0.00 178.44 177.28 1kxm n GLU 269 N -2.45 2.83 -1.64 1.13 1.02 -0.33 -4.69 120.64 116.50 1kxm n GLU 269 Ca 0.01 -0.29 -0.47 0.00 -0.02 0.00 0.00 57.16 56.39 1kxm n GLU 269 Cb 0.22 -1.05 -0.04 0.00 -0.02 0.00 0.00 31.44 30.55 1kxm n GLU 269 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1kxm n ASN 270 N -0.79 2.49 0.00 1.62 3.02 0.21 -1.85 115.26 119.96 1kxm n ASN 270 Ca 0.03 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.70 1kxm n ASN 270 Cb 0.20 -1.35 0.00 0.00 -0.61 0.00 0.00 39.78 38.01 1kxm n ASN 270 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kxm n GLY 271 N 2.69 0.88 3.58 7.41 0.00 -1.26 -4.38 105.19 114.10 1kxm n GLY 271 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1kxm n GLY 271 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kxm s ILE 272 N -2.24 4.56 -0.21 -0.61 1.01 -0.77 -4.19 121.20 118.76 1kxm s ILE 272 Ca 0.00 -0.11 -0.18 0.00 0.00 0.00 0.00 60.65 60.36 1kxm s ILE 272 Cb 0.00 -3.06 -0.03 0.00 0.01 0.00 0.00 42.46 39.37 1kxm s ILE 272 CO 0.00 0.44 0.50 -0.89 0.00 0.00 0.00 174.94 174.99 1kxm s THR 273 N 0.60 5.12 -0.29 2.92 2.01 0.64 -4.94 115.64 121.69 1kxm s THR 273 Ca 0.02 0.90 -0.10 0.00 0.31 0.00 0.00 61.69 62.82 1kxm s THR 273 Cb -0.13 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.53 1kxm s THR 273 CO 0.02 0.18 0.17 -0.36 -0.69 0.00 0.00 174.62 173.93 1kxm s PHE 274 N 1.65 3.19 0.45 4.92 0.08 -1.26 -0.58 117.98 126.42 1kxm s PHE 274 Ca 0.23 -0.20 -0.21 0.00 0.12 0.00 0.00 56.93 56.87 1kxm s PHE 274 Cb -0.15 -2.37 -0.12 0.00 -0.57 0.00 0.00 43.02 39.81 1kxm s PHE 274 CO 0.09 -0.30 0.53 -2.30 -0.10 0.00 0.00 175.22 173.15 1kxm n PRO 275 N 5.03 0.57 -0.19 0.24 -0.02 -1.26 -4.82 135.00 134.54 1kxm n PRO 275 Ca -0.14 0.21 0.21 0.00 -2.02 0.00 0.00 63.50 61.76 1kxm n PRO 275 Cb 0.51 -1.54 0.58 0.00 -0.02 0.00 0.00 33.50 33.03 1kxm n PRO 275 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1kxm h LYS 276 N 0.69 0.26 -0.57 -0.52 3.11 -2.01 -0.44 116.57 117.08 1kxm h LYS 276 Ca -0.41 -0.02 0.04 0.00 -2.81 0.00 0.00 60.65 57.45 1kxm h LYS 276 Cb 1.40 -0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 32.54 1kxm h LYS 276 CO 0.50 0.17 0.38 0.22 -2.81 0.00 0.00 179.45 177.92 1kxm h ASP 277 N 0.27 0.55 -4.23 4.20 1.82 -2.04 -3.49 116.42 113.50 1kxm h ASP 277 Ca 0.43 -0.00 -0.52 0.00 -0.39 0.00 0.00 57.03 56.54 1kxm h ASP 277 Cb 1.25 -0.13 0.16 0.00 0.68 0.00 0.00 39.33 41.29 1kxm h ASP 277 CO -0.11 0.38 0.33 0.00 -1.61 0.00 0.00 179.24 178.22 1kxm s ALA 278 N -5.57 2.00 0.70 -0.78 0.00 -0.18 -4.96 121.76 112.98 1kxm s ALA 278 Ca -0.09 0.63 -0.16 0.00 0.00 0.00 0.00 51.96 52.34 1kxm s ALA 278 Cb 0.18 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.92 1kxm s ALA 278 CO 0.75 -2.04 1.27 -2.14 0.00 0.00 0.00 175.76 173.60 1kxm s PRO 279 N -4.35 2.24 0.85 0.00 0.02 -1.26 -4.98 135.00 127.52 1kxm s PRO 279 Ca 0.68 1.96 -0.12 0.00 0.02 0.00 0.00 61.00 63.55 1kxm s PRO 279 Cb -0.24 -1.82 0.11 0.00 0.02 0.00 0.00 34.50 32.57 1kxm s PRO 279 CO 0.51 -1.81 1.19 -1.12 -0.33 0.00 0.00 177.00 175.43 1kxm s SER 280 N -1.65 3.32 0.38 2.53 0.01 -1.26 -4.94 113.70 112.09 1kxm s SER 280 Ca 0.79 2.31 -0.27 0.00 1.31 0.00 0.00 55.95 60.10 1kxm s SER 280 Cb -0.35 -2.58 -0.11 0.00 0.21 0.00 0.00 66.02 63.19 1kxm s SER 280 CO 0.43 -2.84 1.35 -2.65 0.41 0.00 0.00 173.24 169.94 1kxm n PRO 281 N -3.64 2.23 -2.89 12.44 -0.02 -1.26 -4.93 135.00 136.92 1kxm n PRO 281 Ca 0.13 0.79 -0.40 0.00 -2.02 0.00 0.00 63.50 62.00 1kxm n PRO 281 Cb 0.51 -2.46 -0.05 0.00 -0.02 0.00 0.00 33.50 31.48 1kxm n PRO 281 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1kxm s PHE 282 N -1.14 3.83 -0.32 6.00 2.99 0.13 -4.78 117.98 124.69 1kxm s PHE 282 Ca 0.57 1.65 -0.02 0.00 0.00 0.00 0.00 56.93 59.13 1kxm s PHE 282 Cb -0.52 -2.88 0.06 0.00 0.00 0.00 0.00 43.02 39.68 1kxm s PHE 282 CO 0.61 0.34 0.04 0.42 -0.00 0.00 0.00 175.22 176.64 1kxm s ILE 283 N -0.46 3.09 0.25 0.64 1.01 -1.26 -1.07 121.20 123.40 1kxm s ILE 283 Ca 0.40 -1.49 -0.30 0.00 0.00 0.00 0.00 60.65 59.27 1kxm s ILE 283 Cb -0.23 -2.84 -0.09 0.00 0.01 0.00 0.00 42.46 39.31 1kxm s ILE 283 CO 0.27 -0.21 0.97 -0.36 0.00 0.00 0.00 174.94 175.60 1kxm s PHE 284 N 1.24 3.90 0.31 3.97 0.08 -1.26 -5.03 117.98 121.19 1kxm s PHE 284 Ca -0.02 1.87 -0.27 0.00 0.12 0.00 0.00 56.93 58.63 1kxm s PHE 284 Cb -0.20 -3.04 -0.10 0.00 -0.57 0.00 0.00 43.02 39.11 1kxm s PHE 284 CO -0.01 0.25 0.97 0.15 -0.10 0.00 0.00 175.22 176.48 1kxm s LYS 285 N -1.26 4.61 0.98 0.44 1.02 -1.26 -4.99 119.74 119.29 1kxm s LYS 285 Ca 0.42 1.43 -0.12 0.00 0.02 0.00 0.00 55.97 57.72 1kxm s LYS 285 Cb -0.27 -2.92 0.18 0.00 -0.52 0.00 0.00 37.83 34.29 1kxm s LYS 285 CO 0.34 0.29 1.10 0.95 -0.92 0.00 0.00 175.35 177.10 1kxm s THR 286 N -1.47 2.07 0.16 2.17 -4.23 -1.26 -4.88 115.64 108.19 1kxm s THR 286 Ca 0.48 0.02 -0.15 0.00 -1.18 0.00 0.00 61.69 60.86 1kxm s THR 286 Cb -0.22 -2.57 0.03 0.00 1.34 0.00 0.00 72.50 71.09 1kxm s THR 286 CO 0.28 -0.03 1.80 -0.07 -0.54 0.00 0.00 174.62 176.06 1kxm h LEU 287 N -1.81 0.39 -1.13 4.79 3.38 -1.96 -2.00 115.31 116.96 1kxm h LEU 287 Ca -0.54 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.39 1kxm h LEU 287 Cb 1.33 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 1kxm h LEU 287 CO 0.58 0.28 0.08 -0.08 0.09 0.00 0.00 178.44 179.39 1kxm h GLU 288 N 0.49 0.70 0.00 1.13 4.81 -1.93 0.70 114.58 120.48 1kxm h GLU 288 Ca 0.17 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1kxm h GLU 288 Cb 0.03 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1kxm h GLU 288 CO -0.09 0.66 -0.24 0.93 -0.73 0.00 0.00 179.01 179.53 1kxm h GLU 289 N 0.67 0.00 -0.01 1.92 5.08 -1.82 -2.75 114.58 117.67 1kxm h GLU 289 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1kxm h GLU 289 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1kxm h GLU 289 CO 0.00 0.24 -0.14 1.04 -1.00 0.00 0.00 179.01 179.15 1kxm n GLN 290 N -3.82 1.43 -2.06 2.33 6.02 -0.15 -4.94 117.38 116.19 1kxm n GLN 290 Ca -0.02 -0.94 -0.11 0.00 -0.01 0.00 0.00 57.00 55.92 1kxm n GLN 290 Cb 0.34 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 30.10 1kxm n GLN 290 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1kxm n GLY 291 N 1.28 0.14 0.72 1.08 0.00 0.06 -5.07 105.19 103.40 1kxm n GLY 291 Ca 0.15 -0.44 0.13 0.00 0.00 0.00 0.00 46.02 45.86 1kxm n GLY 291 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36