#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m2d s VAL 5 N 0.00 5.28 -0.39 1.47 1.01 -1.26 -4.83 120.40 121.69 3m2d s VAL 5 Ca 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 3m2d s VAL 5 Cb 0.00 -3.40 0.09 0.00 0.00 0.00 0.00 36.38 33.08 3m2d s VAL 5 CO 0.00 0.46 0.17 -1.00 0.00 0.00 0.00 175.10 174.73 3m2d s HIS 6 N 0.28 3.49 -0.18 5.22 3.76 -1.26 -5.05 115.29 121.55 3m2d s HIS 6 Ca 0.07 -2.19 -0.18 0.00 -0.15 0.00 0.00 55.06 52.61 3m2d s HIS 6 Cb -0.11 -2.97 -0.04 0.00 1.11 0.00 0.00 32.58 30.57 3m2d s HIS 6 CO -0.01 -0.92 0.48 0.08 -0.85 0.00 0.00 174.74 173.52 3m2d s VAL 7 N 1.20 5.14 0.25 -0.90 1.01 -1.26 -0.42 120.40 125.42 3m2d s VAL 7 Ca 0.05 0.90 -0.31 0.00 0.00 0.00 0.00 61.98 62.62 3m2d s VAL 7 Cb -0.22 -3.81 -0.12 0.00 0.00 0.00 0.00 36.38 32.23 3m2d s VAL 7 CO -0.03 0.23 1.62 0.00 0.00 0.00 0.00 175.10 176.91 3m2d n ALA 8 N 4.48 2.39 -3.76 5.51 0.00 -0.21 -4.87 120.51 124.04 3m2d n ALA 8 Ca -0.06 0.39 -0.28 0.00 0.00 0.00 0.00 53.44 53.49 3m2d n ALA 8 Cb 0.51 -2.45 -0.16 0.00 0.00 0.00 0.00 19.45 17.34 3m2d n ALA 8 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3m2d s SER 9 N 0.72 3.12 0.22 0.00 0.15 0.11 -4.69 113.70 113.33 3m2d s SER 9 Ca 0.69 -0.93 -0.32 0.00 0.70 0.00 0.00 55.95 56.10 3m2d s SER 9 Cb -0.53 -0.69 -0.12 0.00 -1.71 0.00 0.00 66.02 62.97 3m2d s SER 9 CO 0.43 -0.30 1.68 -0.69 1.20 0.00 0.00 173.24 175.55 3m2d s VAL 10 N 1.78 2.13 0.22 4.45 1.01 -1.26 -4.28 120.40 124.44 3m2d s VAL 10 Ca -0.01 0.10 -0.32 0.00 0.00 0.00 0.00 61.98 61.75 3m2d s VAL 10 Cb -0.17 -3.06 -0.14 0.00 0.00 0.00 0.00 36.38 33.01 3m2d s VAL 10 CO -0.09 0.01 1.39 -0.62 0.00 0.00 0.00 175.10 175.79 3m2d n GLU 11 N 3.69 1.88 -1.69 2.72 4.71 -1.26 -4.66 120.64 126.03 3m2d n GLU 11 Ca 0.14 0.67 -0.42 0.00 -0.01 0.00 0.00 57.16 57.54 3m2d n GLU 11 Cb 0.36 -2.31 -0.03 0.00 -1.01 0.00 0.00 31.44 28.45 3m2d n GLU 11 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 3m2d s LYS 12 N -0.23 4.14 0.00 3.49 2.20 -1.26 -1.12 119.74 126.96 3m2d s LYS 12 Ca 0.71 2.61 0.00 0.00 -0.36 0.00 0.00 55.97 58.93 3m2d s LYS 12 Cb -0.69 -3.79 0.00 0.00 -1.51 0.00 0.00 37.83 31.83 3m2d s LYS 12 CO 0.49 -0.89 0.00 0.41 -0.36 0.00 0.00 175.35 175.00 3m2d n GLY 13 N 4.35 0.89 3.85 5.54 0.00 -1.26 -5.01 105.19 113.55 3m2d n GLY 13 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 3m2d n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m2d s ARG 14 N -0.08 3.98 0.13 1.61 1.81 -0.27 -5.07 118.95 121.06 3m2d s ARG 14 Ca 0.00 0.72 0.02 0.00 -1.72 0.00 0.00 55.73 54.75 3m2d s ARG 14 Cb 0.00 -2.35 -0.01 0.00 -0.45 0.00 0.00 34.95 32.14 3m2d s ARG 14 CO 0.00 0.04 0.13 -1.13 -0.68 0.00 0.00 175.30 173.67 3m2d n SER 15 N -0.73 -0.35 -0.36 0.23 3.41 -1.26 -4.88 113.62 109.69 3m2d n SER 15 Ca 0.04 -1.85 0.10 0.00 -0.26 0.00 0.00 58.87 56.90 3m2d n SER 15 Cb 0.54 0.75 0.28 0.00 -0.26 0.00 0.00 64.21 65.51 3m2d n SER 15 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3m2d h TYR 16 N 1.42 1.10 -0.36 7.33 5.03 -2.00 -0.91 116.97 128.59 3m2d h TYR 16 Ca -0.10 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.21 3m2d h TYR 16 Cb 0.48 -0.34 -0.02 0.00 1.55 0.00 0.00 36.73 38.40 3m2d h TYR 16 CO 0.00 0.35 0.05 1.49 -1.32 0.00 0.00 178.16 178.73 3m2d h GLU 17 N 0.88 0.54 -0.27 1.82 4.81 -1.99 -0.10 114.58 120.28 3m2d h GLU 17 Ca 0.53 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.66 3m2d h GLU 17 Cb 0.68 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 3m2d h GLU 17 CO -0.32 0.53 0.15 -0.44 -0.73 0.00 0.00 179.01 178.20 3m2d h ASP 18 N 0.53 0.34 0.53 1.04 5.19 -1.57 -1.71 116.42 120.77 3m2d h ASP 18 Ca 0.12 -0.08 -0.12 0.00 -0.62 0.00 0.00 57.03 56.32 3m2d h ASP 18 Cb 0.26 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.67 3m2d h ASP 18 CO 0.00 0.33 -0.56 -0.26 -3.12 0.00 0.00 179.24 175.63 3m2d h PHE 19 N 0.33 0.04 -0.43 4.55 -1.00 -1.24 -2.35 116.94 116.83 3m2d h PHE 19 Ca 0.10 -0.01 -0.06 0.00 2.81 0.00 0.00 57.97 60.80 3m2d h PHE 19 Cb 0.06 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.59 3m2d h PHE 19 CO -0.03 0.58 0.01 0.37 -1.61 0.00 0.00 178.31 177.63 3m2d h GLN 20 N 0.02 0.69 -0.81 1.51 5.75 -0.85 0.35 115.11 121.78 3m2d h GLN 20 Ca -0.00 -0.17 -0.04 0.00 -0.15 0.00 0.00 58.65 58.29 3m2d h GLN 20 Cb 0.99 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 29.42 3m2d h GLN 20 CO 0.07 0.70 0.34 0.87 -2.65 0.00 0.00 178.83 178.17 3m2d h LYS 21 N 0.65 1.20 -0.27 1.69 1.57 -0.90 0.22 116.57 120.74 3m2d h LYS 21 Ca 0.13 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 3m2d h LYS 21 Cb 0.39 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3m2d h LYS 21 CO 0.01 0.96 -0.03 0.28 -0.57 0.00 0.00 179.45 180.09 3m2d h VAL 22 N 1.17 1.27 -0.54 0.50 2.07 -0.84 -1.27 116.25 118.62 3m2d h VAL 22 Ca 0.27 -1.01 0.10 0.00 0.82 0.00 0.00 66.70 66.88 3m2d h VAL 22 Cb 0.19 1.40 -0.11 0.00 -1.52 0.00 0.00 31.29 31.25 3m2d h VAL 22 CO -0.03 0.32 -0.31 0.22 0.02 0.00 0.00 177.57 177.79 3m2d h TYR 23 N 0.26 -0.85 -0.64 1.57 3.20 -0.78 -0.97 116.97 118.75 3m2d h TYR 23 Ca 0.07 0.07 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 3m2d h TYR 23 Cb 0.49 0.45 -0.03 0.00 1.54 0.00 0.00 36.73 39.18 3m2d h TYR 23 CO 0.04 -0.37 0.22 -0.91 -1.64 0.00 0.00 178.16 175.50 3m2d h ASN 24 N -0.17 0.89 -0.65 -2.11 2.35 -0.17 0.15 115.58 115.87 3m2d h ASN 24 Ca 0.22 -0.14 -0.09 0.00 -0.55 0.00 0.00 56.30 55.74 3m2d h ASN 24 Cb 0.54 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 3m2d h ASN 24 CO -0.63 0.82 0.06 0.00 -1.65 0.00 0.00 177.43 176.03 3m2d h ALA 25 N 1.30 0.88 -0.29 -0.83 0.00 -0.57 0.89 119.26 120.64 3m2d h ALA 25 Ca 0.21 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3m2d h ALA 25 Cb 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3m2d h ALA 25 CO -0.01 0.67 0.18 0.82 0.00 0.00 0.00 179.25 180.91 3m2d h ILE 26 N 1.02 1.10 -0.59 0.00 2.04 -0.58 -1.56 117.51 118.94 3m2d h ILE 26 Ca 0.19 -0.24 -0.07 0.00 1.00 0.00 0.00 64.86 65.74 3m2d h ILE 26 Cb 0.49 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 3m2d h ILE 26 CO 0.02 0.10 0.08 0.00 0.00 0.00 0.00 178.15 178.35 3m2d h ALA 27 N 1.07 1.02 -0.30 1.87 0.00 -0.39 0.42 119.26 122.95 3m2d h ALA 27 Ca 0.10 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 3m2d h ALA 27 Cb 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3m2d h ALA 27 CO -0.02 0.62 -0.35 -0.07 0.00 0.00 0.00 179.25 179.44 3m2d h LEU 28 N 0.91 0.69 -0.64 0.00 3.38 -0.72 -1.64 115.31 117.28 3m2d h LEU 28 Ca 0.18 -0.29 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 3m2d h LEU 28 Cb 0.43 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3m2d h LEU 28 CO 0.01 0.97 -0.63 0.50 0.09 0.00 0.00 178.44 179.39 3m2d h LYS 29 N 0.55 0.18 -0.92 1.13 3.64 -0.87 -1.46 116.57 118.83 3m2d h LYS 29 Ca 0.06 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3m2d h LYS 29 Cb 0.86 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.65 3m2d h LYS 29 CO 0.07 0.75 0.54 -0.07 -2.27 0.00 0.00 179.45 178.48 3m2d h LEU 30 N 0.13 1.11 -0.34 5.20 3.38 -0.66 0.09 115.31 124.22 3m2d h LEU 30 Ca -0.01 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 3m2d h LEU 30 Cb 1.14 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 3m2d h LEU 30 CO 0.09 0.86 -0.17 -0.09 0.09 0.00 0.00 178.44 179.23 3m2d h ARG 31 N 1.27 0.72 -0.13 1.13 2.43 -1.05 -3.35 114.38 115.41 3m2d h ARG 31 Ca 0.33 -0.32 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 3m2d h ARG 31 Cb -0.04 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3m2d h ARG 31 CO -0.06 0.92 -0.21 1.49 -1.51 0.00 0.00 179.97 180.60 3m2d h GLU 32 N 0.50 0.37 -2.85 0.20 4.57 -0.93 -3.35 114.58 113.08 3m2d h GLU 32 Ca 0.08 -0.23 -0.73 0.00 -1.18 0.00 0.00 59.36 57.30 3m2d h GLU 32 Cb 0.71 0.02 -0.10 0.00 -0.16 0.00 0.00 28.75 29.22 3m2d h GLU 32 CO 0.05 0.81 2.65 -0.25 -1.18 0.00 0.00 179.01 181.10 3m2d n ASP 33 N -4.49 7.66 -0.03 1.04 10.43 -0.01 -4.72 116.55 126.42 3m2d n ASP 33 Ca -0.07 -3.02 0.13 0.00 2.57 0.00 0.00 54.79 54.39 3m2d n ASP 33 Cb 0.42 -1.42 0.36 0.00 1.84 0.00 0.00 41.12 42.32 3m2d n ASP 33 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 3m2d n ASP 34 N 2.48 0.45 0.19 -2.24 5.75 -1.26 -3.94 116.55 117.99 3m2d n ASP 34 Ca 0.62 -0.19 0.11 0.00 -0.01 0.00 0.00 54.79 55.32 3m2d n ASP 34 Cb 0.26 0.07 0.13 0.00 -1.03 0.00 0.00 41.12 40.55 3m2d n ASP 34 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 3m2d h GLU 35 N 0.16 0.00 -6.52 0.11 5.08 -1.90 -3.34 114.58 108.16 3m2d h GLU 35 Ca 0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 3m2d h GLU 35 Cb 0.49 0.00 0.09 0.00 0.50 0.00 0.00 28.75 29.83 3m2d h GLU 35 CO 0.00 0.02 0.45 0.98 -1.00 0.00 0.00 179.01 179.46 3m2d n TYR 36 N -3.02 1.83 -3.28 4.33 4.19 -1.25 -1.32 117.16 118.64 3m2d n TYR 36 Ca 0.03 0.55 -0.15 0.00 3.31 0.00 0.00 57.90 61.63 3m2d n TYR 36 Cb 0.54 -2.38 0.08 0.00 0.49 0.00 0.00 39.34 38.07 3m2d n TYR 36 CO 0.00 0.00 0.00 -3.47 0.91 0.00 0.00 176.86 174.30 3m2d n ASP 37 N 1.84 -3.00 -3.86 2.98 -0.08 -1.26 -0.62 116.55 112.55 3m2d n ASP 37 Ca 0.11 -0.59 -0.26 0.00 -1.51 0.00 0.00 54.79 52.54 3m2d n ASP 37 Cb 0.30 -4.82 0.01 0.00 2.34 0.00 0.00 41.12 38.96 3m2d n ASP 37 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 3m2d n ASN 38 N -3.01 -1.97 -0.54 1.67 3.02 -1.14 -1.54 115.26 111.76 3m2d n ASN 38 Ca -0.22 -0.87 -0.07 0.00 -0.03 0.00 0.00 54.58 53.38 3m2d n ASN 38 Cb 0.65 -3.65 -0.03 0.00 -0.61 0.00 0.00 39.78 36.14 3m2d n ASN 38 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3m2d n TYR 39 N -4.42 0.00 0.02 3.10 4.02 -0.43 -4.87 117.16 114.58 3m2d n TYR 39 Ca -0.19 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.63 3m2d n TYR 39 Cb 0.63 -1.57 0.12 0.00 -0.02 0.00 0.00 39.34 38.50 3m2d n TYR 39 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 3m2d h ILE 40 N 0.00 1.31 0.00 -0.72 2.04 -0.59 -3.47 117.51 116.08 3m2d h ILE 40 Ca -0.14 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 64.11 3m2d h ILE 40 Cb 0.54 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 3m2d h ILE 40 CO 0.21 0.50 0.00 0.61 0.00 0.00 0.00 178.15 179.47 3m2d n GLY 41 N -0.01 -1.19 0.10 5.37 0.00 0.21 -4.63 105.19 105.04 3m2d n GLY 41 Ca -0.02 -1.61 0.15 0.00 0.00 0.00 0.00 46.02 44.54 3m2d n GLY 41 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3m2d n TYR 42 N -1.32 0.00 0.14 1.61 4.02 -1.26 -4.39 117.16 115.97 3m2d n TYR 42 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.75 3m2d n TYR 42 Cb 0.00 -0.08 -0.07 0.00 -0.02 0.00 0.00 39.34 39.18 3m2d n TYR 42 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3m2d h GLY 43 N 4.97 -0.69 1.00 2.72 0.00 -1.93 -1.46 103.07 107.68 3m2d h GLY 43 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.73 3m2d h GLY 43 CO 0.00 -0.26 0.26 -2.55 0.00 0.00 0.00 176.54 173.99 3m2d h PRO 44 N -0.60 0.52 0.00 4.80 0.11 -1.88 -1.47 132.00 133.48 3m2d h PRO 44 Ca 0.02 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.03 3m2d h PRO 44 Cb 0.61 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 3m2d h PRO 44 CO -0.16 0.34 -0.33 -0.24 -0.21 0.00 0.00 178.00 177.40 3m2d h VAL 45 N 0.53 0.99 -0.33 3.15 3.04 -1.79 0.06 116.25 121.90 3m2d h VAL 45 Ca 0.15 -1.24 -0.13 0.00 -1.01 0.00 0.00 66.70 64.47 3m2d h VAL 45 Cb -0.06 1.72 -0.01 0.00 -2.01 0.00 0.00 31.29 30.92 3m2d h VAL 45 CO -0.03 0.32 -0.31 -0.07 -1.01 0.00 0.00 177.57 176.47 3m2d h LEU 46 N 0.00 0.74 -0.36 3.16 3.38 -0.75 0.14 115.31 121.62 3m2d h LEU 46 Ca -0.00 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 3m2d h LEU 46 Cb 0.69 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3m2d h LEU 46 CO 0.04 0.99 0.11 0.58 0.09 0.00 0.00 178.44 180.25 3m2d h VAL 47 N 0.60 1.21 -0.50 1.22 2.07 -0.52 -1.63 116.25 118.71 3m2d h VAL 47 Ca 0.07 -0.70 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 3m2d h VAL 47 Cb 0.82 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 3m2d h VAL 47 CO 0.07 0.24 0.08 -0.09 0.02 0.00 0.00 177.57 177.89 3m2d h ARG 48 N 0.43 0.79 -0.31 1.57 2.43 -0.80 -1.59 114.38 116.90 3m2d h ARG 48 Ca 0.11 -0.18 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3m2d h ARG 48 Cb 0.27 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3m2d h ARG 48 CO -0.00 0.75 0.20 1.25 -1.51 0.00 0.00 179.97 180.65 3m2d h LEU 49 N 0.75 0.33 -0.84 3.80 5.85 -0.50 0.13 115.31 124.84 3m2d h LEU 49 Ca 0.16 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.93 3m2d h LEU 49 Cb 0.35 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 3m2d h LEU 49 CO 0.01 0.24 0.52 0.00 -0.34 0.00 0.00 178.44 178.87 3m2d h ALA 50 N 1.13 1.14 -0.22 1.25 0.00 -0.99 -0.39 119.26 121.18 3m2d h ALA 50 Ca 0.12 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3m2d h ALA 50 Cb -0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3m2d h ALA 50 CO -0.04 0.28 -0.16 2.35 0.00 0.00 0.00 179.25 181.68 3m2d h TRP 51 N 0.96 0.58 -0.04 0.00 -0.00 -0.81 -2.54 115.95 114.10 3m2d h TRP 51 Ca 0.36 -0.16 -0.11 0.00 -0.00 0.00 0.00 58.89 58.98 3m2d h TRP 51 Cb 0.13 -0.13 -0.01 0.00 -0.00 0.00 0.00 29.16 29.15 3m2d h TRP 51 CO -0.03 0.81 -0.47 0.45 -0.00 0.00 0.00 178.44 179.19 3m2d h HIS 52 N 0.19 0.13 0.00 2.65 3.86 -0.56 0.52 115.15 121.93 3m2d h HIS 52 Ca 0.04 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3m2d h HIS 52 Cb 0.68 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 29.13 3m2d h HIS 52 CO 0.07 0.56 -0.02 1.79 0.86 0.00 0.00 177.93 181.19 3m2d h THR 53 N 0.09 0.04 0.00 2.45 1.35 -1.07 -3.20 112.91 112.58 3m2d h THR 53 Ca 0.00 -0.74 -0.32 0.00 -0.55 0.00 0.00 66.41 64.80 3m2d h THR 53 Cb 0.87 1.71 -0.06 0.00 -1.73 0.00 0.00 68.15 68.94 3m2d h THR 53 CO 0.07 0.02 -1.98 -1.20 -0.25 0.00 0.00 175.52 172.17 3m2d n SER 54 N -3.11 0.62 0.00 5.36 7.64 -0.82 -3.23 113.62 120.07 3m2d n SER 54 Ca 0.02 0.25 0.15 0.00 1.01 0.00 0.00 58.87 60.30 3m2d n SER 54 Cb 0.40 0.29 0.89 0.00 -1.01 0.00 0.00 64.21 64.78 3m2d n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3m2d n GLY 55 N 1.65 -1.05 0.00 0.23 0.00 0.18 -2.55 105.19 103.65 3m2d n GLY 55 Ca -0.24 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 45.73 3m2d n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3m2d n THR 56 N -1.07 0.10 -1.91 2.61 -2.24 -1.25 -4.68 114.28 105.84 3m2d n THR 56 Ca 0.21 0.02 -0.39 0.00 -2.27 0.00 0.00 64.05 61.63 3m2d n THR 56 Cb 0.14 -0.59 0.02 0.00 -2.10 0.00 0.00 70.33 67.80 3m2d n THR 56 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3m2d s TRP 57 N -2.39 2.53 -0.22 4.78 -0.00 -1.06 -4.19 118.94 118.39 3m2d s TRP 57 Ca 0.30 1.38 0.02 0.00 -0.00 0.00 0.00 56.10 57.80 3m2d s TRP 57 Cb 0.18 -3.74 0.05 0.00 -0.00 0.00 0.00 33.47 29.96 3m2d s TRP 57 CO 0.38 -2.53 -0.11 0.34 -0.00 0.00 0.00 176.95 175.02 3m2d s ASP 58 N -0.85 3.75 0.62 5.86 -1.08 -0.56 -4.59 116.67 119.82 3m2d s ASP 58 Ca 0.65 -1.05 0.36 0.00 -0.52 0.00 0.00 52.55 51.99 3m2d s ASP 58 Cb -0.39 -1.37 2.04 0.00 -1.46 0.00 0.00 42.92 41.74 3m2d s ASP 58 CO 0.48 -0.15 2.28 0.07 0.52 0.00 0.00 175.17 178.37 3m2d h LYS 59 N 7.90 0.00 -0.02 4.34 2.10 -1.72 0.64 116.57 129.82 3m2d h LYS 59 Ca -0.26 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.26 3m2d h LYS 59 Cb 1.08 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.40 3m2d h LYS 59 CO 0.49 0.01 -0.58 0.45 -2.00 0.00 0.00 179.45 177.82 3m2d h HIS 60 N 0.00 0.07 0.00 0.07 3.86 -1.95 -3.36 115.15 113.84 3m2d h HIS 60 Ca -0.00 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 3m2d h HIS 60 Cb 0.06 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.52 3m2d h HIS 60 CO 0.00 0.62 0.00 -0.40 0.86 0.00 0.00 177.93 179.01 3m2d n ASP 61 N -3.85 0.09 -1.68 2.45 5.68 -1.03 -5.00 116.55 113.20 3m2d n ASP 61 Ca -0.01 -1.04 -0.17 0.00 -0.50 0.00 0.00 54.79 53.06 3m2d n ASP 61 Cb 0.59 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.53 3m2d n ASP 61 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3m2d n ASN 62 N -0.02 -5.07 -4.88 -1.12 5.15 0.19 -4.47 115.26 105.04 3m2d n ASN 62 Ca 0.00 0.18 -0.30 0.00 -0.60 0.00 0.00 54.58 53.86 3m2d n ASN 62 Cb 0.43 -4.13 0.01 0.00 -0.53 0.00 0.00 39.78 35.56 3m2d n ASN 62 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3m2d s THR 63 N -2.76 4.64 0.00 -0.44 -4.23 -1.23 -4.87 115.64 106.74 3m2d s THR 63 Ca 0.00 0.71 0.00 0.00 -1.18 0.00 0.00 61.69 61.22 3m2d s THR 63 Cb 0.00 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 70.01 3m2d s THR 63 CO 0.00 -1.04 0.00 0.61 -0.54 0.00 0.00 174.62 173.65 3m2d n GLY 64 N -2.68 0.75 0.00 3.99 0.00 -1.26 -1.50 105.19 104.49 3m2d n GLY 64 Ca 0.05 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.34 3m2d n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m2d n GLY 65 N 0.00 -0.72 0.26 -0.02 0.00 -1.26 -4.67 105.19 98.78 3m2d n GLY 65 Ca 0.00 -1.70 0.14 0.00 0.00 0.00 0.00 46.02 44.46 3m2d n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3m2d h SER 66 N 0.00 0.00 -0.34 1.61 4.64 -1.72 -3.37 113.55 114.37 3m2d h SER 66 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 3m2d h SER 66 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 3m2d h SER 66 CO 0.00 0.08 0.05 0.22 -0.87 0.00 0.00 176.83 176.31 3m2d h TYR 67 N 0.00 0.08 -0.00 4.77 3.20 -1.84 -3.14 116.97 120.03 3m2d h TYR 67 Ca -0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3m2d h TYR 67 Cb 0.62 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.90 3m2d h TYR 67 CO 0.00 0.00 -0.21 0.41 -1.64 0.00 0.00 178.16 176.72 3m2d n GLY 68 N -1.23 -1.15 3.37 1.82 0.00 -1.26 -2.76 105.19 103.98 3m2d n GLY 68 Ca 0.01 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 3m2d n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m2d n GLY 69 N 1.41 -0.50 0.00 -0.02 0.00 -1.19 -2.06 105.19 102.83 3m2d n GLY 69 Ca 0.10 0.19 0.11 0.00 0.00 0.00 0.00 46.02 46.42 3m2d n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3m2d n THR 70 N -4.81 0.43 -0.10 2.61 -2.24 -1.26 -2.99 114.28 105.92 3m2d n THR 70 Ca -0.03 0.10 0.25 0.00 -2.27 0.00 0.00 64.05 62.10 3m2d n THR 70 Cb 0.58 -0.72 0.71 0.00 -2.10 0.00 0.00 70.33 68.80 3m2d n THR 70 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 3m2d h TYR 71 N 0.00 0.00 0.00 4.78 5.03 -1.93 0.11 116.97 124.96 3m2d h TYR 71 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 3m2d h TYR 71 Cb 0.40 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.68 3m2d h TYR 71 CO 0.00 0.00 0.00 2.89 -1.32 0.00 0.00 178.16 179.73 3m2d n ARG 72 N -4.31 0.07 -3.67 1.82 1.85 -1.16 -3.35 116.66 107.91 3m2d n ARG 72 Ca 0.15 0.47 -0.33 0.00 -1.00 0.00 0.00 57.85 57.13 3m2d n ARG 72 Cb 0.81 -1.69 -0.05 0.00 -1.05 0.00 0.00 32.46 30.48 3m2d n ARG 72 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3m2d s PHE 73 N -3.21 3.54 0.40 2.89 0.40 0.38 -4.94 117.98 117.45 3m2d s PHE 73 Ca 0.02 0.64 0.07 0.00 -0.60 0.00 0.00 56.93 57.06 3m2d s PHE 73 Cb 0.06 -2.05 0.82 0.00 0.51 0.00 0.00 43.02 42.35 3m2d s PHE 73 CO 0.19 0.52 2.02 1.57 0.70 0.00 0.00 175.22 180.21 3m2d h LYS 74 N 3.46 0.50 -0.84 0.44 2.10 -1.86 -1.30 116.57 119.07 3m2d h LYS 74 Ca -0.48 -0.05 0.01 0.00 -2.00 0.00 0.00 60.65 58.14 3m2d h LYS 74 Cb 1.18 -0.10 -0.04 0.00 -0.90 0.00 0.00 32.23 32.37 3m2d h LYS 74 CO 0.69 0.38 0.55 -0.22 -2.00 0.00 0.00 179.45 178.85 3m2d h LYS 75 N 0.50 1.08 0.20 0.07 3.64 -1.93 -0.01 116.57 120.13 3m2d h LYS 75 Ca 0.13 -0.07 -0.31 0.00 -1.27 0.00 0.00 60.65 59.13 3m2d h LYS 75 Cb 0.04 -0.24 0.02 0.00 -0.41 0.00 0.00 32.23 31.64 3m2d h LYS 75 CO -0.02 0.72 -1.46 1.49 -2.27 0.00 0.00 179.45 177.91 3m2d h GLU 76 N 1.12 0.43 0.00 1.90 4.81 -1.60 -2.98 114.58 118.26 3m2d h GLU 76 Ca 0.32 -0.73 -0.04 0.00 -0.13 0.00 0.00 59.36 58.78 3m2d h GLU 76 Cb -0.09 0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 3m2d h GLU 76 CO -0.08 1.35 -0.17 0.35 -0.73 0.00 0.00 179.01 179.73 3m2d h PHE 77 N -0.00 0.00 -0.53 0.92 3.04 -1.16 -1.63 116.94 117.59 3m2d h PHE 77 Ca -0.27 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.68 3m2d h PHE 77 Cb 2.02 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.53 3m2d h PHE 77 CO 0.13 0.17 0.00 0.09 -2.02 0.00 0.00 178.31 176.68 3m2d n ASN 78 N -3.44 3.16 -4.69 0.41 3.02 -0.03 -4.82 115.26 108.87 3m2d n ASN 78 Ca -0.01 -2.11 -0.44 0.00 -0.03 0.00 0.00 54.58 52.00 3m2d n ASN 78 Cb 0.35 -0.41 -0.04 0.00 -0.61 0.00 0.00 39.78 39.07 3m2d n ASN 78 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3m2d n ASP 79 N 1.00 3.68 -0.20 6.41 -0.08 -0.61 -4.83 116.55 121.92 3m2d n ASP 79 Ca 0.19 1.04 0.21 0.00 -1.51 0.00 0.00 54.79 54.72 3m2d n ASP 79 Cb 0.54 -1.51 0.57 0.00 2.34 0.00 0.00 41.12 43.06 3m2d n ASP 79 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3m2d h PRO 80 N 7.09 0.28 0.00 -0.67 0.11 -1.91 0.30 132.00 137.21 3m2d h PRO 80 Ca -0.45 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 3m2d h PRO 80 Cb 1.23 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3m2d h PRO 80 CO 0.93 0.19 -0.00 0.77 -0.21 0.00 0.00 178.00 179.67 3m2d h SER 81 N 0.29 0.00 -0.66 -2.05 0.02 -1.94 -2.25 113.55 106.96 3m2d h SER 81 Ca 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 3m2d h SER 81 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 3m2d h SER 81 CO -0.12 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.16 3m2d n ASN 82 N -3.11 4.06 -4.68 3.07 3.02 0.11 -4.99 115.26 112.74 3m2d n ASN 82 Ca -0.02 -2.19 -0.46 0.00 -0.03 0.00 0.00 54.58 51.88 3m2d n ASN 82 Cb 0.15 -0.51 -0.04 0.00 -0.61 0.00 0.00 39.78 38.78 3m2d n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3m2d n ALA 83 N 1.31 1.40 0.00 5.41 0.00 -0.85 -1.21 120.51 126.57 3m2d n ALA 83 Ca 0.24 0.36 0.00 0.00 0.00 0.00 0.00 53.44 54.03 3m2d n ALA 83 Cb 0.70 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.69 3m2d n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m2d n GLY 84 N 3.96 3.02 0.19 0.00 0.00 -1.26 -4.89 105.19 106.22 3m2d n GLY 84 Ca 0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.35 3m2d n GLY 84 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3m2d h LEU 85 N 0.00 0.00 -2.11 0.99 3.38 -1.55 -1.96 115.31 114.06 3m2d h LEU 85 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 3m2d h LEU 85 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3m2d h LEU 85 CO 0.00 0.00 0.23 1.56 0.09 0.00 0.00 178.44 180.32 3m2d h GLN 86 N 0.00 0.00 -0.62 1.13 7.50 -1.91 0.10 115.11 121.31 3m2d h GLN 86 Ca 0.00 0.00 -0.08 0.00 0.50 0.00 0.00 58.65 59.07 3m2d h GLN 86 Cb 0.34 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.84 3m2d h GLN 86 CO 0.00 0.00 0.08 -0.91 -1.50 0.00 0.00 178.83 176.50 3m2d h ASN 87 N 0.00 0.98 -0.46 1.46 2.35 -1.75 0.09 115.58 118.24 3m2d h ASN 87 Ca 0.13 -0.23 -0.12 0.00 -0.55 0.00 0.00 56.30 55.53 3m2d h ASN 87 Cb 0.59 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 3m2d h ASN 87 CO -0.00 0.99 -0.16 1.23 -1.65 0.00 0.00 177.43 177.83 3m2d h GLY 88 N 1.03 1.04 0.96 2.83 0.00 -1.01 -1.91 103.07 106.00 3m2d h GLY 88 Ca 0.19 -0.87 -0.02 0.00 0.00 0.00 0.00 47.33 46.63 3m2d h GLY 88 CO 0.01 0.79 0.19 -2.75 0.00 0.00 0.00 176.54 174.79 3m2d h PHE 89 N 0.84 0.65 -0.54 5.60 3.04 -1.10 -1.40 116.94 124.04 3m2d h PHE 89 Ca 0.12 -0.04 -0.08 0.00 3.98 0.00 0.00 57.97 61.95 3m2d h PHE 89 Cb 0.72 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 39.01 3m2d h PHE 89 CO 0.05 0.55 0.00 0.87 -2.02 0.00 0.00 178.31 177.75 3m2d h LYS 90 N 0.56 0.91 -0.32 1.11 1.57 -0.87 -1.46 116.57 118.08 3m2d h LYS 90 Ca 0.15 -0.27 0.06 0.00 -1.87 0.00 0.00 60.65 58.72 3m2d h LYS 90 Cb 0.16 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.31 3m2d h LYS 90 CO -0.02 0.91 -0.06 0.35 -0.57 0.00 0.00 179.45 180.06 3m2d h PHE 91 N 0.85 -0.13 0.00 -1.35 3.04 -1.09 -2.37 116.94 115.89 3m2d h PHE 91 Ca 0.16 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.14 3m2d h PHE 91 Cb 0.50 0.11 0.00 0.00 2.56 0.00 0.00 35.95 39.11 3m2d h PHE 91 CO 0.03 -0.12 0.00 -0.07 -2.02 0.00 0.00 178.31 176.13 3m2d h LEU 92 N 0.02 0.00 -0.26 0.59 3.38 -0.65 -3.35 115.31 115.04 3m2d h LEU 92 Ca 0.15 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.17 3m2d h LEU 92 Cb 0.23 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 3m2d h LEU 92 CO -0.31 0.00 -0.03 -0.33 0.09 0.00 0.00 178.44 177.86 3m2d h GLU 93 N 0.00 0.04 0.00 1.13 5.08 -0.73 0.56 114.58 120.67 3m2d h GLU 93 Ca 0.00 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3m2d h GLU 93 Cb 0.51 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3m2d h GLU 93 CO 0.00 0.03 -0.19 -1.00 -1.00 0.00 0.00 179.01 176.85 3m2d h PRO 94 N 0.04 0.00 -0.20 2.33 0.13 -1.74 -0.65 132.00 131.91 3m2d h PRO 94 Ca 0.13 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.24 3m2d h PRO 94 Cb 0.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.30 3m2d h PRO 94 CO -0.24 0.19 0.05 0.82 -0.23 0.00 0.00 178.00 178.59 3m2d h ILE 95 N 0.00 1.21 -0.50 -3.56 1.08 -1.40 -1.59 117.51 112.75 3m2d h ILE 95 Ca -0.00 -0.67 -0.06 0.00 -0.39 0.00 0.00 64.86 63.74 3m2d h ILE 95 Cb 0.43 1.28 -0.02 0.00 -3.07 0.00 0.00 36.82 35.44 3m2d h ILE 95 CO 0.02 0.21 0.07 -0.74 -0.69 0.00 0.00 178.15 177.02 3m2d h HIS 96 N 0.13 0.82 -0.75 1.37 2.76 -0.26 -0.87 115.15 118.35 3m2d h HIS 96 Ca 0.06 -0.09 -0.04 0.00 -2.20 0.00 0.00 60.37 58.10 3m2d h HIS 96 Cb 0.27 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 28.96 3m2d h HIS 96 CO 0.01 0.72 0.33 -0.22 -1.30 0.00 0.00 177.93 177.47 3m2d h LYS 97 N 0.75 1.10 -0.08 5.26 3.64 -1.01 -1.96 116.57 124.27 3m2d h LYS 97 Ca 0.16 -0.17 -0.14 0.00 -1.27 0.00 0.00 60.65 59.22 3m2d h LYS 97 Cb 0.36 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 3m2d h LYS 97 CO 0.01 0.87 -0.58 1.49 -2.27 0.00 0.00 179.45 178.97 3m2d h GLU 98 N 1.08 0.24 -2.16 1.90 4.81 -0.71 -3.35 114.58 116.39 3m2d h GLU 98 Ca 0.26 -0.16 -0.58 0.00 -0.13 0.00 0.00 59.36 58.74 3m2d h GLU 98 Cb 0.16 0.02 -0.41 0.00 0.63 0.00 0.00 28.75 29.15 3m2d h GLU 98 CO -0.03 0.75 -0.73 1.19 -0.73 0.00 0.00 179.01 179.47 3m2d n PHE 99 N -3.89 2.82 0.36 0.92 3.01 -0.38 -4.93 117.46 115.36 3m2d n PHE 99 Ca -0.02 -4.00 0.11 0.00 1.01 0.00 0.00 57.45 54.55 3m2d n PHE 99 Cb 0.60 -0.50 0.49 0.00 -0.01 0.00 0.00 39.48 40.05 3m2d n PHE 99 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3m2d n PRO 100 N 0.71 0.17 0.20 -1.08 -0.04 -0.77 -2.13 135.00 132.06 3m2d n PRO 100 Ca 0.28 0.45 0.14 0.00 -0.04 0.00 0.00 63.50 64.33 3m2d n PRO 100 Cb 0.44 -1.85 0.48 0.00 -0.04 0.00 0.00 33.50 32.53 3m2d n PRO 100 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 3m2d h TRP 101 N 0.00 0.00 -3.83 0.54 5.08 -1.92 -3.45 115.95 112.38 3m2d h TRP 101 Ca 0.00 0.00 -0.49 0.00 1.08 0.00 0.00 58.89 59.48 3m2d h TRP 101 Cb 0.29 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.44 3m2d h TRP 101 CO 0.00 0.00 0.38 -1.50 -1.28 0.00 0.00 178.44 176.04 3m2d s ILE 102 N -3.38 3.96 0.76 0.12 2.07 -0.90 -4.93 121.20 118.90 3m2d s ILE 102 Ca 0.05 1.81 -0.11 0.00 -1.41 0.00 0.00 60.65 60.99 3m2d s ILE 102 Cb 0.09 -4.09 0.05 0.00 0.13 0.00 0.00 42.46 38.64 3m2d s ILE 102 CO 0.54 0.31 1.08 -0.94 -1.91 0.00 0.00 174.94 174.02 3m2d s SER 103 N -1.30 4.70 0.14 4.50 1.04 -1.26 -4.87 113.70 116.66 3m2d s SER 103 Ca 0.46 1.73 -0.15 0.00 0.48 0.00 0.00 55.95 58.47 3m2d s SER 103 Cb -0.24 -2.48 0.01 0.00 0.10 0.00 0.00 66.02 63.41 3m2d s SER 103 CO 0.31 -1.89 1.71 0.28 0.98 0.00 0.00 173.24 174.62 3m2d h SER 104 N -1.03 0.58 -0.77 7.02 0.02 -1.91 -0.70 113.55 116.77 3m2d h SER 104 Ca -0.44 -0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 60.32 3m2d h SER 104 Cb 1.23 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.58 3m2d h SER 104 CO 0.53 0.57 0.30 1.23 -1.14 0.00 0.00 176.83 178.32 3m2d h GLY 105 N 0.56 1.23 1.05 -3.77 0.00 -1.79 0.75 103.07 101.11 3m2d h GLY 105 Ca 0.15 -0.68 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 3m2d h GLY 105 CO -0.02 0.64 0.36 -0.55 0.00 0.00 0.00 176.54 176.97 3m2d h ASP 106 N 1.11 1.11 -0.16 0.19 3.32 -1.78 -1.82 116.42 118.39 3m2d h ASP 106 Ca 0.25 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 57.05 3m2d h ASP 106 Cb 0.22 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3m2d h ASP 106 CO -0.02 0.96 -0.29 0.25 -1.72 0.00 0.00 179.24 178.42 3m2d h LEU 107 N 1.19 0.53 -0.62 1.55 5.85 -0.58 -0.04 115.31 123.19 3m2d h LEU 107 Ca 0.28 -0.54 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 3m2d h LEU 107 Cb 0.18 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3m2d h LEU 107 CO -0.03 0.98 0.37 -0.26 -0.34 0.00 0.00 178.44 179.16 3m2d h PHE 108 N 0.11 0.82 -0.38 1.25 0.05 -0.83 0.34 116.94 118.31 3m2d h PHE 108 Ca 0.01 -0.00 -0.15 0.00 3.82 0.00 0.00 57.97 61.64 3m2d h PHE 108 Cb 0.88 -0.27 -0.01 0.00 2.00 0.00 0.00 35.95 38.55 3m2d h PHE 108 CO 0.10 0.56 -0.36 0.66 -0.18 0.00 0.00 178.31 179.09 3m2d h SER 109 N 0.84 0.97 -0.18 2.17 4.64 -1.31 -2.91 113.55 117.77 3m2d h SER 109 Ca 0.22 -0.46 -0.05 0.00 -0.47 0.00 0.00 61.79 61.03 3m2d h SER 109 Cb -0.02 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.78 3m2d h SER 109 CO -0.04 1.23 -0.03 0.25 -0.87 0.00 0.00 176.83 177.37 3m2d h LEU 110 N 0.72 0.44 -1.00 5.97 5.85 -0.83 -1.67 115.31 124.78 3m2d h LEU 110 Ca 0.06 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.76 3m2d h LEU 110 Cb 0.95 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.80 3m2d h LEU 110 CO 0.09 0.53 0.65 1.23 -0.34 0.00 0.00 178.44 180.59 3m2d h GLY 111 N 0.81 1.52 0.83 3.75 0.00 -0.73 0.11 103.07 109.36 3m2d h GLY 111 Ca 0.09 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.89 3m2d h GLY 111 CO 0.01 0.34 -0.10 -1.33 0.00 0.00 0.00 176.54 175.46 3m2d h GLY 112 N 1.18 0.51 0.70 4.60 0.00 -1.20 -0.41 103.07 108.45 3m2d h GLY 112 Ca 0.43 -0.45 0.04 0.00 0.00 0.00 0.00 47.33 47.34 3m2d h GLY 112 CO -0.17 0.41 0.05 -2.08 0.00 0.00 0.00 176.54 174.75 3m2d h VAL 113 N 0.18 0.88 -0.42 4.60 2.07 -1.14 -0.98 116.25 121.46 3m2d h VAL 113 Ca 0.05 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3m2d h VAL 113 Cb 0.59 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3m2d h VAL 113 CO 0.03 0.03 0.20 0.74 0.02 0.00 0.00 177.57 178.59 3m2d h THR 114 N 0.15 1.17 -0.29 2.57 2.02 -0.70 -1.68 112.91 116.16 3m2d h THR 114 Ca 0.12 -0.49 0.01 0.00 0.77 0.00 0.00 66.41 66.82 3m2d h THR 114 Cb 0.12 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 3m2d h THR 114 CO -0.16 0.19 0.17 0.00 0.37 0.00 0.00 175.52 176.09 3m2d h ALA 115 N 1.05 0.36 -0.26 6.16 0.00 -0.85 0.12 119.26 125.84 3m2d h ALA 115 Ca 0.14 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3m2d h ALA 115 Cb 0.11 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3m2d h ALA 115 CO -0.02 -0.20 0.08 0.28 0.00 0.00 0.00 179.25 179.39 3m2d h VAL 116 N 0.35 0.92 -0.36 0.00 2.07 -0.95 -1.03 116.25 117.26 3m2d h VAL 116 Ca 0.11 -0.07 -0.09 0.00 0.82 0.00 0.00 66.70 67.48 3m2d h VAL 116 Cb -0.01 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3m2d h VAL 116 CO -0.05 0.04 -0.11 1.56 0.02 0.00 0.00 177.57 179.02 3m2d h GLN 117 N 0.19 0.72 0.00 1.57 4.20 -1.09 -0.73 115.11 119.97 3m2d h GLN 117 Ca 0.11 -0.29 -0.05 0.00 0.06 0.00 0.00 58.65 58.48 3m2d h GLN 117 Cb 0.09 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3m2d h GLN 117 CO -0.12 0.89 -0.25 0.93 -0.67 0.00 0.00 178.83 179.60 3m2d h GLU 118 N 0.51 0.00 -0.98 1.46 4.39 -0.60 -2.22 114.58 117.15 3m2d h GLU 118 Ca 0.09 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 3m2d h GLU 118 Cb 0.64 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.28 3m2d h GLU 118 CO 0.04 0.25 0.01 -1.33 -1.16 0.00 0.00 179.01 176.82 3m2d n MET 119 N -3.96 1.21 -1.83 2.33 2.81 -0.40 -4.85 117.12 112.43 3m2d n MET 119 Ca -0.02 -0.20 -0.13 0.00 -1.81 0.00 0.00 57.70 55.54 3m2d n MET 119 Cb 0.32 -1.43 -0.03 0.00 -0.71 0.00 0.00 33.22 31.37 3m2d n MET 119 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3m2d n GLN 120 N 0.13 -0.97 -0.67 0.03 6.02 -0.83 -0.82 117.38 120.27 3m2d n GLN 120 Ca 0.02 0.79 -0.11 0.00 -0.01 0.00 0.00 57.00 57.69 3m2d n GLN 120 Cb 0.38 -4.93 0.08 0.00 1.02 0.00 0.00 30.24 26.79 3m2d n GLN 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3m2d n GLY 121 N -1.19 -1.52 3.76 1.08 0.00 -0.31 -4.76 105.19 102.25 3m2d n GLY 121 Ca -0.14 -1.64 -0.32 0.00 0.00 0.00 0.00 46.02 43.92 3m2d n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3m2d s PRO 122 N -4.08 2.36 0.31 1.61 0.04 -1.26 -4.66 135.00 129.32 3m2d s PRO 122 Ca 0.29 1.29 -0.29 0.00 0.04 0.00 0.00 61.00 62.32 3m2d s PRO 122 Cb -0.01 -1.90 -0.11 0.00 0.04 0.00 0.00 34.50 32.52 3m2d s PRO 122 CO 0.20 -1.58 1.53 0.15 0.04 0.00 0.00 177.00 177.35 3m2d s LYS 123 N -4.58 4.14 -0.27 4.56 -0.14 -1.26 -4.37 119.74 117.82 3m2d s LYS 123 Ca 0.64 2.53 0.03 0.00 -1.36 0.00 0.00 55.97 57.81 3m2d s LYS 123 Cb -0.19 -3.02 0.07 0.00 -1.68 0.00 0.00 37.83 33.01 3m2d s LYS 123 CO 0.51 -0.56 -0.08 0.42 -0.76 0.00 0.00 175.35 174.88 3m2d s ILE 124 N -0.37 2.17 0.48 2.17 -1.09 -1.26 -4.80 121.20 118.50 3m2d s ILE 124 Ca 0.59 -1.76 -0.24 0.00 -2.23 0.00 0.00 60.65 57.01 3m2d s ILE 124 Cb -0.46 -2.34 -0.07 0.00 -1.58 0.00 0.00 42.46 38.00 3m2d s ILE 124 CO 0.52 -0.14 1.39 -2.84 -1.23 0.00 0.00 174.94 172.63 3m2d s PRO 125 N 1.07 3.49 -0.01 2.79 0.02 -1.26 -4.77 135.00 136.33 3m2d s PRO 125 Ca -0.05 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.29 3m2d s PRO 125 Cb -0.20 -2.50 0.01 0.00 0.02 0.00 0.00 34.50 31.84 3m2d s PRO 125 CO -0.06 -0.94 0.01 -0.46 -0.33 0.00 0.00 177.00 175.23 3m2d s TRP 126 N -1.25 0.05 -0.01 6.54 -0.00 -0.20 -4.77 118.94 119.31 3m2d s TRP 126 Ca 0.65 0.05 0.06 0.00 -0.00 0.00 0.00 56.10 56.85 3m2d s TRP 126 Cb -0.42 -0.14 -0.03 0.00 -0.00 0.00 0.00 33.47 32.88 3m2d s TRP 126 CO 0.52 -0.05 -0.17 1.03 -0.00 0.00 0.00 176.95 178.29 3m2d s ARG 127 N 0.51 2.28 0.72 5.86 0.52 -1.26 -0.17 118.95 127.41 3m2d s ARG 127 Ca -0.04 -0.84 -0.03 0.00 -0.52 0.00 0.00 55.73 54.29 3m2d s ARG 127 Cb -0.06 -2.27 0.11 0.00 0.52 0.00 0.00 34.95 33.25 3m2d s ARG 127 CO -0.01 0.58 1.00 0.00 0.02 0.00 0.00 175.30 176.89 3m2d n GLY 129 N -2.87 1.02 3.75 0.00 0.00 -1.26 -4.72 105.19 101.10 3m2d n GLY 129 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3m2d n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m2d n ARG 130 N -0.23 2.17 -5.02 1.61 1.74 -1.26 -0.71 116.66 114.95 3m2d n ARG 130 Ca 0.00 0.77 -0.29 0.00 -0.77 0.00 0.00 57.85 57.56 3m2d n ARG 130 Cb 0.00 -2.57 -0.17 0.00 -1.02 0.00 0.00 32.46 28.71 3m2d n ARG 130 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3m2d s VAL 131 N -1.19 1.76 0.29 1.55 1.01 -1.11 -4.62 120.40 118.08 3m2d s VAL 131 Ca 0.61 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 3m2d s VAL 131 Cb -0.46 -1.53 -0.12 0.00 0.00 0.00 0.00 36.38 34.27 3m2d s VAL 131 CO 0.58 0.49 1.51 0.47 0.00 0.00 0.00 175.10 178.14 3m2d n ASP 132 N 3.48 3.46 -4.53 3.32 9.92 -1.26 -4.03 116.55 126.91 3m2d n ASP 132 Ca -0.20 1.16 -0.24 0.00 -0.53 0.00 0.00 54.79 54.99 3m2d n ASP 132 Cb 0.53 -1.54 -0.09 0.00 -0.64 0.00 0.00 41.12 39.37 3m2d n ASP 132 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3m2d s THR 133 N -0.26 2.72 0.96 -3.53 -4.23 -0.87 -5.01 115.64 105.42 3m2d s THR 133 Ca 0.63 -2.25 -0.12 0.00 -1.18 0.00 0.00 61.69 58.77 3m2d s THR 133 Cb -0.54 -2.49 0.16 0.00 1.34 0.00 0.00 72.50 70.98 3m2d s THR 133 CO 0.52 -0.37 1.10 -2.84 -0.54 0.00 0.00 174.62 172.49 3m2d s PRO 134 N -3.57 0.76 0.36 3.99 0.02 -1.26 -4.87 135.00 130.43 3m2d s PRO 134 Ca 0.31 0.53 0.09 0.00 0.02 0.00 0.00 61.00 61.95 3m2d s PRO 134 Cb -0.05 -1.77 0.81 0.00 0.02 0.00 0.00 34.50 33.51 3m2d s PRO 134 CO 0.17 -2.51 1.89 1.49 -0.33 0.00 0.00 177.00 177.70 3m2d h GLU 135 N -1.73 0.68 0.00 5.54 4.81 -1.99 0.04 114.58 121.93 3m2d h GLU 135 Ca -0.53 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 3m2d h GLU 135 Cb 1.32 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3m2d h GLU 135 CO 0.58 0.45 0.00 -0.40 -0.73 0.00 0.00 179.01 178.91 3m2d n ASP 136 N -4.54 0.00 -0.67 1.04 3.85 -1.26 -1.84 116.55 113.12 3m2d n ASP 136 Ca 0.16 -0.38 0.13 0.00 -0.71 0.00 0.00 54.79 53.99 3m2d n ASP 136 Cb 0.43 -0.11 0.32 0.00 -1.35 0.00 0.00 41.12 40.41 3m2d n ASP 136 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3m2d n THR 137 N -1.11 0.00 -2.00 2.12 -2.24 0.00 -4.92 114.28 106.14 3m2d n THR 137 Ca 0.13 -0.35 -0.42 0.00 -2.27 0.00 0.00 64.05 61.14 3m2d n THR 137 Cb 0.10 0.95 -0.03 0.00 -2.10 0.00 0.00 70.33 69.25 3m2d n THR 137 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3m2d s THR 138 N -2.04 3.03 0.49 4.28 2.01 -0.77 -4.63 115.64 118.02 3m2d s THR 138 Ca 0.32 0.60 -0.21 0.00 0.31 0.00 0.00 61.69 62.72 3m2d s THR 138 Cb 0.20 -3.39 -0.07 0.00 0.01 0.00 0.00 72.50 69.25 3m2d s THR 138 CO 0.34 0.02 1.12 -2.16 -0.69 0.00 0.00 174.62 173.24 3m2d s PRO 139 N 2.00 3.64 0.85 4.92 0.04 -1.26 -4.99 135.00 140.19 3m2d s PRO 139 Ca 0.70 1.60 -0.11 0.00 0.04 0.00 0.00 61.00 63.24 3m2d s PRO 139 Cb -0.40 -2.19 0.11 0.00 0.04 0.00 0.00 34.50 32.06 3m2d s PRO 139 CO 0.31 -0.61 1.15 -0.51 0.04 0.00 0.00 177.00 177.37 3m2d s ASP 140 N -1.67 3.47 0.75 6.66 -0.00 -1.26 -4.71 116.67 119.91 3m2d s ASP 140 Ca 0.68 2.14 -0.15 0.00 -0.00 0.00 0.00 52.55 55.22 3m2d s ASP 140 Cb -0.24 -2.56 0.05 0.00 -0.00 0.00 0.00 42.92 40.17 3m2d s ASP 140 CO 0.28 -2.74 1.24 0.20 -0.00 0.00 0.00 175.17 174.15 3m2d s ASN 141 N -2.71 3.94 0.00 0.27 0.01 -1.26 -4.18 114.94 111.01 3m2d s ASN 141 Ca 0.67 2.45 0.00 0.00 -0.71 0.00 0.00 52.86 55.27 3m2d s ASN 141 Cb -0.23 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 38.83 3m2d s ASN 141 CO 0.55 -2.44 0.00 0.61 -1.51 0.00 0.00 177.10 174.31 3m2d n GLY 142 N 0.62 0.85 0.18 0.66 0.00 -1.26 -4.99 105.19 101.26 3m2d n GLY 142 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 3m2d n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m2d n ARG 143 N -1.35 0.54 -3.46 1.61 1.74 -1.26 -4.90 116.66 109.58 3m2d n ARG 143 Ca 0.00 -0.36 -0.26 0.00 -0.77 0.00 0.00 57.85 56.46 3m2d n ARG 143 Cb 0.00 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 29.92 3m2d n ARG 143 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3m2d s LEU 144 N -2.71 4.09 0.42 0.55 1.43 -1.26 -4.74 118.68 116.47 3m2d s LEU 144 Ca 0.18 0.52 -0.17 0.00 -1.03 0.00 0.00 54.13 53.62 3m2d s LEU 144 Cb 0.18 -3.34 -0.09 0.00 0.03 0.00 0.00 46.19 42.97 3m2d s LEU 144 CO 0.62 -0.19 0.89 -2.16 0.23 0.00 0.00 176.35 175.74 3m2d s PRO 145 N -3.80 4.06 0.39 1.29 0.04 -1.26 -5.06 135.00 130.67 3m2d s PRO 145 Ca 0.41 0.91 -0.21 0.00 0.04 0.00 0.00 61.00 62.15 3m2d s PRO 145 Cb -0.10 -2.25 -0.10 0.00 0.04 0.00 0.00 34.50 32.09 3m2d s PRO 145 CO 0.32 -0.05 0.90 -0.51 0.04 0.00 0.00 177.00 177.70 3m2d s ASP 146 N -2.52 6.97 0.00 6.66 1.01 -1.26 -5.01 116.67 122.52 3m2d s ASP 146 Ca 0.58 1.63 0.22 0.00 0.71 0.00 0.00 52.55 55.69 3m2d s ASP 146 Cb -0.10 -2.51 -0.09 0.00 1.01 0.00 0.00 42.92 41.23 3m2d s ASP 146 CO 0.20 -0.28 1.00 0.00 0.21 0.00 0.00 175.17 176.31 3m2d n ALA 147 N -0.37 4.40 -0.20 5.23 0.00 -1.26 -4.45 120.51 123.85 3m2d n ALA 147 Ca 0.05 -0.58 0.08 0.00 0.00 0.00 0.00 53.44 52.99 3m2d n ALA 147 Cb 0.53 -0.82 0.29 0.00 0.00 0.00 0.00 19.45 19.46 3m2d n ALA 147 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3m2d n ASP 148 N -1.22 3.99 -4.90 0.00 5.75 -1.26 -2.11 116.55 116.79 3m2d n ASP 148 Ca 0.05 -2.36 -0.25 0.00 -0.01 0.00 0.00 54.79 52.22 3m2d n ASP 148 Cb 0.36 -0.52 -0.01 0.00 -1.03 0.00 0.00 41.12 39.92 3m2d n ASP 148 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3m2d s LYS 149 N -1.79 2.28 0.23 0.11 -0.14 -1.26 -4.90 119.74 114.27 3m2d s LYS 149 Ca 0.42 -1.95 0.03 0.00 -1.36 0.00 0.00 55.97 53.11 3m2d s LYS 149 Cb 0.27 -2.14 0.03 0.00 -1.68 0.00 0.00 37.83 34.31 3m2d s LYS 149 CO 0.20 -0.57 0.25 -0.40 -0.76 0.00 0.00 175.35 174.07 3m2d n ASP 150 N -1.75 1.28 -0.02 2.83 5.68 -1.26 -3.31 116.55 120.00 3m2d n ASP 150 Ca -0.00 -1.70 -0.02 0.00 -0.50 0.00 0.00 54.79 52.56 3m2d n ASP 150 Cb 0.64 -0.10 0.23 0.00 -1.14 0.00 0.00 41.12 40.75 3m2d n ASP 150 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3m2d h ALA 151 N 0.53 1.21 -0.63 2.12 0.00 -1.91 -1.48 119.26 119.09 3m2d h ALA 151 Ca -0.13 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 3m2d h ALA 151 Cb 0.52 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3m2d h ALA 151 CO 0.19 0.51 0.23 -0.44 0.00 0.00 0.00 179.25 179.74 3m2d h ASP 152 N 0.52 0.89 0.05 0.00 3.32 -1.95 -0.02 116.42 119.23 3m2d h ASP 152 Ca 0.10 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 56.97 3m2d h ASP 152 Cb 0.49 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3m2d h ASP 152 CO 0.03 0.84 -0.10 0.22 -1.72 0.00 0.00 179.24 178.50 3m2d h TYR 153 N 0.90 -0.26 -0.34 4.55 3.20 -1.80 -1.46 116.97 121.76 3m2d h TYR 153 Ca 0.21 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.11 3m2d h TYR 153 Cb 0.24 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.59 3m2d h TYR 153 CO 0.02 -0.16 0.17 0.28 -1.64 0.00 0.00 178.16 176.83 3m2d h VAL 154 N -0.20 0.99 -0.12 1.81 2.07 -0.84 0.21 116.25 120.17 3m2d h VAL 154 Ca 0.02 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 3m2d h VAL 154 Cb 0.22 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3m2d h VAL 154 CO -0.06 0.06 0.07 -0.09 0.02 0.00 0.00 177.57 177.57 3m2d h ARG 155 N 0.36 0.17 -0.58 1.57 2.43 -0.95 -1.70 114.38 115.68 3m2d h ARG 155 Ca 0.14 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 3m2d h ARG 155 Cb 0.05 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 3m2d h ARG 155 CO -0.10 0.21 0.21 1.15 -1.51 0.00 0.00 179.97 179.93 3m2d h THR 156 N 0.09 1.23 -0.27 0.20 2.02 -1.12 -2.64 112.91 112.43 3m2d h THR 156 Ca 0.04 -0.75 0.06 0.00 0.77 0.00 0.00 66.41 66.54 3m2d h THR 156 Cb 0.09 0.63 -0.07 0.00 -1.74 0.00 0.00 68.15 67.06 3m2d h THR 156 CO -0.01 0.29 -0.18 0.15 0.37 0.00 0.00 175.52 176.14 3m2d h PHE 157 N 0.80 -0.47 0.00 3.16 3.57 -0.28 -2.41 116.94 121.31 3m2d h PHE 157 Ca 0.19 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.73 3m2d h PHE 157 Cb 0.23 0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.22 3m2d h PHE 157 CO 0.01 -0.26 0.00 0.74 -2.23 0.00 0.00 178.31 176.57 3m2d h PHE 158 N -0.17 0.00 -0.38 0.41 -1.00 -1.17 -2.34 116.94 112.29 3m2d h PHE 158 Ca 0.15 0.00 0.08 0.00 2.81 0.00 0.00 57.97 61.00 3m2d h PHE 158 Cb 0.39 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.93 3m2d h PHE 158 CO -0.36 0.00 0.27 1.96 -1.61 0.00 0.00 178.31 178.56 3m2d h GLN 159 N 0.00 0.17 0.00 1.51 4.20 -1.06 -1.16 115.11 118.77 3m2d h GLN 159 Ca 0.00 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 3m2d h GLN 159 Cb 0.61 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 3m2d h GLN 159 CO 0.00 0.11 -0.20 -0.09 -0.67 0.00 0.00 178.83 177.98 3m2d h ARG 160 N 0.18 0.00 -0.57 1.46 2.43 -1.51 -0.60 114.38 115.77 3m2d h ARG 160 Ca 0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3m2d h ARG 160 Cb 0.47 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3m2d h ARG 160 CO -0.03 0.20 0.00 1.28 -1.51 0.00 0.00 179.97 179.92 3m2d n LEU 161 N -3.51 3.12 -3.70 3.80 4.77 -0.54 -1.96 117.00 118.99 3m2d n LEU 161 Ca -0.01 -1.57 -0.27 0.00 -0.03 0.00 0.00 56.01 54.14 3m2d n LEU 161 Cb 0.36 -0.40 0.05 0.00 -2.33 0.00 0.00 43.42 41.10 3m2d n LEU 161 CO 0.32 0.70 0.16 -3.20 -1.33 0.00 0.00 177.39 174.05 3m2d n ASN 162 N 1.02 -5.61 -4.60 -1.43 5.15 -0.23 -4.99 115.26 104.56 3m2d n ASN 162 Ca 0.19 -0.63 -0.34 0.00 -0.60 0.00 0.00 54.58 53.19 3m2d n ASN 162 Cb 0.52 -4.45 -0.11 0.00 -0.53 0.00 0.00 39.78 35.22 3m2d n ASN 162 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 3m2d s MET 163 N -6.41 3.19 0.53 1.20 -1.94 -0.59 -5.01 119.30 110.27 3m2d s MET 163 Ca 0.60 -0.47 0.01 0.00 -1.71 0.00 0.00 55.69 54.13 3m2d s MET 163 Cb -0.29 -2.81 0.10 0.00 2.01 0.00 0.00 34.83 33.85 3m2d s MET 163 CO 0.75 0.53 0.73 0.27 -0.01 0.00 0.00 175.02 177.29 3m2d n ASN 164 N 2.65 1.11 -0.18 3.03 0.23 -1.26 -3.96 115.26 116.88 3m2d n ASN 164 Ca -0.18 -1.91 -0.04 0.00 -0.53 0.00 0.00 54.58 51.92 3m2d n ASN 164 Cb 0.53 -0.46 0.06 0.00 -2.08 0.00 0.00 39.78 37.82 3m2d n ASN 164 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3m2d h ASP 165 N -0.37 0.40 -0.54 0.53 5.19 -1.99 0.39 116.42 120.03 3m2d h ASP 165 Ca -0.24 0.03 -0.04 0.00 -0.62 0.00 0.00 57.03 56.16 3m2d h ASP 165 Cb 0.93 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.36 3m2d h ASP 165 CO 0.27 0.28 0.20 -0.09 -3.12 0.00 0.00 179.24 176.77 3m2d h ARG 166 N 0.53 0.82 -0.73 3.56 2.43 -1.96 -0.88 114.38 118.16 3m2d h ARG 166 Ca 0.23 -0.16 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 3m2d h ARG 166 Cb 0.13 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 3m2d h ARG 166 CO -0.16 0.74 0.31 0.93 -1.51 0.00 0.00 179.97 180.28 3m2d h GLU 167 N 0.74 1.08 -0.04 0.20 5.08 -1.85 -0.58 114.58 119.22 3m2d h GLU 167 Ca 0.18 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3m2d h GLU 167 Cb 0.24 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 3m2d h GLU 167 CO -0.01 0.87 0.01 0.28 -1.00 0.00 0.00 179.01 179.17 3m2d h VAL 168 N 1.04 1.16 -0.86 3.13 2.07 -0.65 0.25 116.25 122.38 3m2d h VAL 168 Ca 0.25 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 3m2d h VAL 168 Cb 0.19 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 3m2d h VAL 168 CO -0.02 0.13 0.43 0.58 0.02 0.00 0.00 177.57 178.70 3m2d h VAL 169 N -0.13 1.26 -0.14 2.57 2.07 -1.04 -0.66 116.25 120.19 3m2d h VAL 169 Ca 0.01 -0.72 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 3m2d h VAL 169 Cb 0.19 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 3m2d h VAL 169 CO -0.00 0.31 0.08 0.00 0.02 0.00 0.00 177.57 177.98 3m2d h ALA 170 N 1.23 0.18 -0.58 1.67 0.00 -1.04 -2.82 119.26 117.91 3m2d h ALA 170 Ca 0.30 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3m2d h ALA 170 Cb 0.10 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3m2d h ALA 170 CO -0.04 -0.30 0.25 -0.07 0.00 0.00 0.00 179.25 179.09 3m2d h LEU 171 N 0.15 0.75 -2.42 0.00 3.38 -0.60 -1.79 115.31 114.77 3m2d h LEU 171 Ca 0.05 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3m2d h LEU 171 Cb 0.04 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3m2d h LEU 171 CO -0.01 0.66 -0.01 -0.03 0.09 0.00 0.00 178.44 179.13 3m2d h MET 172 N 0.82 0.00 0.00 1.13 4.05 -0.87 -2.20 114.93 117.86 3m2d h MET 172 Ca 0.20 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.62 3m2d h MET 172 Cb 0.13 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.93 3m2d h MET 172 CO -0.02 0.01 0.03 0.78 0.23 0.00 0.00 176.91 177.94 3m2d h GLY 173 N 0.67 0.00 2.00 1.39 0.00 -1.24 -0.85 103.07 105.05 3m2d h GLY 173 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3m2d h GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 3m2d h ALA 174 N 1.94 1.00 0.00 3.60 0.00 -1.57 -1.50 119.26 122.73 3m2d h ALA 174 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3m2d h ALA 174 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3m2d h ALA 174 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 3m2d n HIS 175 N -2.50 0.00 0.27 0.00 8.25 -0.32 -1.23 115.22 119.67 3m2d n HIS 175 Ca -0.01 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.55 3m2d n HIS 175 Cb 0.09 0.00 0.70 0.00 1.12 0.00 0.00 29.99 31.91 3m2d n HIS 175 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m2d h ALA 176 N 3.01 1.85 -2.54 -1.41 0.00 -1.50 -3.40 119.26 115.27 3m2d h ALA 176 Ca 0.00 -0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.36 3m2d h ALA 176 Cb 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3m2d h ALA 176 CO 0.00 0.02 0.03 -0.51 0.00 0.00 0.00 179.25 178.78 3m2d s LEU 177 N -8.66 4.31 0.00 0.00 1.43 -0.37 -4.19 118.68 111.20 3m2d s LEU 177 Ca -0.05 1.26 0.00 0.00 -1.03 0.00 0.00 54.13 54.31 3m2d s LEU 177 Cb 0.16 -3.51 0.00 0.00 0.03 0.00 0.00 46.19 42.87 3m2d s LEU 177 CO 0.64 0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.86 3m2d n GLY 178 N 0.63 1.79 3.70 -3.19 0.00 0.42 -4.89 105.19 103.65 3m2d n GLY 178 Ca -0.03 -0.60 -0.07 0.00 0.00 0.00 0.00 46.02 45.33 3m2d n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3m2d s LYS 179 N 0.00 1.36 0.24 1.61 -2.85 -1.26 -4.38 119.74 114.47 3m2d s LYS 179 Ca 0.00 -0.69 -0.18 0.00 -1.00 0.00 0.00 55.97 54.10 3m2d s LYS 179 Cb 0.00 0.51 -0.08 0.00 -2.06 0.00 0.00 37.83 36.19 3m2d s LYS 179 CO 0.00 -0.62 0.71 0.95 0.10 0.00 0.00 175.35 176.49 3m2d s THR 180 N -3.56 4.62 -0.14 3.79 -4.23 0.09 -4.94 115.64 111.26 3m2d s THR 180 Ca 0.09 1.15 0.01 0.00 -1.18 0.00 0.00 61.69 61.76 3m2d s THR 180 Cb -0.03 -3.78 0.02 0.00 1.34 0.00 0.00 72.50 70.05 3m2d s THR 180 CO -0.00 0.11 -0.15 -1.00 -0.54 0.00 0.00 174.62 173.04 3m2d s HIS 181 N -1.64 2.14 0.26 3.99 0.09 -0.91 -1.50 115.29 117.73 3m2d s HIS 181 Ca 0.45 -1.16 -0.01 0.00 -0.00 0.00 0.00 55.06 54.34 3m2d s HIS 181 Cb -0.15 -1.57 0.49 0.00 -0.00 0.00 0.00 32.58 31.36 3m2d s HIS 181 CO 0.20 -0.63 1.80 1.25 -0.00 0.00 0.00 174.74 177.36 3m2d h LEU 182 N 7.88 0.70 -0.23 0.89 5.85 -1.63 0.64 115.31 129.41 3m2d h LEU 182 Ca -0.37 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.42 3m2d h LEU 182 Cb 1.15 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3m2d h LEU 182 CO 0.52 0.36 0.00 0.29 -0.34 0.00 0.00 178.44 179.27 3m2d n LYS 183 N -4.75 0.15 -0.09 1.25 5.02 -1.26 -0.75 118.16 117.73 3m2d n LYS 183 Ca 0.16 0.25 -0.17 0.00 -2.02 0.00 0.00 58.31 56.53 3m2d n LYS 183 Cb 0.36 -1.73 -0.09 0.00 -0.02 0.00 0.00 35.03 33.55 3m2d n LYS 183 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3m2d h ARG 184 N 0.00 0.00 0.00 1.97 3.08 -1.24 -3.44 114.38 114.75 3m2d h ARG 184 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3m2d h ARG 184 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3m2d h ARG 184 CO 0.00 0.77 0.00 -1.13 -1.07 0.00 0.00 179.97 178.54 3m2d n SER 185 N -4.49 0.20 0.00 7.04 3.41 -0.77 -4.76 113.62 114.24 3m2d n SER 185 Ca -0.25 -0.56 0.00 0.00 -0.26 0.00 0.00 58.87 57.79 3m2d n SER 185 Cb 0.57 0.67 0.00 0.00 -0.26 0.00 0.00 64.21 65.20 3m2d n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3m2d n GLY 186 N 0.67 0.44 3.17 5.00 0.00 0.07 -5.04 105.19 109.50 3m2d n GLY 186 Ca 0.00 -0.63 -0.19 0.00 0.00 0.00 0.00 46.02 45.20 3m2d n GLY 186 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3m2d s TYR 187 N -2.00 1.25 -0.02 1.61 2.02 -1.26 -4.65 117.35 114.30 3m2d s TYR 187 Ca 0.00 -0.42 0.01 0.00 -0.37 0.00 0.00 57.07 56.29 3m2d s TYR 187 Cb 0.00 -0.71 0.01 0.00 -0.40 0.00 0.00 41.96 40.86 3m2d s TYR 187 CO 0.00 0.06 -0.03 -2.00 -1.57 0.00 0.00 175.55 172.00 3m2d s GLU 188 N -1.55 0.48 0.00 -0.62 2.56 -1.26 -1.50 118.70 116.81 3m2d s GLU 188 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.97 54.89 3m2d s GLU 188 Cb -0.09 -0.53 0.00 0.00 2.00 0.00 0.00 34.13 35.51 3m2d s GLU 188 CO 0.02 -0.02 0.00 0.41 -0.56 0.00 0.00 175.26 175.11 3m2d n GLY 189 N 3.60 3.50 3.89 -1.50 0.00 -0.56 -4.86 105.19 109.25 3m2d n GLY 189 Ca -0.21 -1.85 -0.29 0.00 0.00 0.00 0.00 46.02 43.67 3m2d n GLY 189 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3m2d s PRO 190 N -3.14 3.28 0.06 1.61 0.04 -1.26 -0.73 135.00 134.85 3m2d s PRO 190 Ca 0.00 0.38 0.24 0.00 0.04 0.00 0.00 61.00 61.67 3m2d s PRO 190 Cb 0.00 -2.18 0.40 0.00 0.04 0.00 0.00 34.50 32.75 3m2d s PRO 190 CO 0.00 -0.61 1.34 0.91 0.04 0.00 0.00 177.00 178.68 3m2d n TRP 191 N -2.65 0.29 -3.76 0.56 8.01 -1.26 -0.69 117.44 117.95 3m2d n TRP 191 Ca 0.04 0.09 0.00 0.00 -1.31 0.00 0.00 57.50 56.32 3m2d n TRP 191 Cb 0.56 -0.47 0.00 0.00 -2.01 0.00 0.00 31.31 29.39 3m2d n TRP 191 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3m2d n GLY 192 N 1.41 0.76 0.14 6.99 0.00 -1.26 -4.59 105.19 108.64 3m2d n GLY 192 Ca 0.04 -0.90 -0.23 0.00 0.00 0.00 0.00 46.02 44.93 3m2d n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m2d h ALA 193 N 2.00 0.14 -2.18 4.61 0.00 -1.95 -3.40 119.26 118.48 3m2d h ALA 193 Ca -0.04 -1.13 -0.76 0.00 0.00 0.00 0.00 54.91 52.98 3m2d h ALA 193 Cb 0.19 0.45 -0.22 0.00 0.00 0.00 0.00 17.79 18.21 3m2d h ALA 193 CO 0.05 1.00 0.78 0.00 0.00 0.00 0.00 179.25 181.09 3m2d s ALA 194 N -2.57 4.11 -1.45 0.00 0.00 -1.26 -4.80 121.76 115.79 3m2d s ALA 194 Ca -0.16 -3.39 0.16 0.00 0.00 0.00 0.00 51.96 48.57 3m2d s ALA 194 Cb 0.05 -3.85 0.42 0.00 0.00 0.00 0.00 23.12 19.75 3m2d s ALA 194 CO 0.85 -2.56 1.34 0.27 0.00 0.00 0.00 175.76 175.66 3m2d n ASN 195 N 4.67 3.28 -0.41 0.00 2.04 -1.26 -4.12 115.26 119.45 3m2d n ASN 195 Ca 0.27 -1.97 0.03 0.00 -0.44 0.00 0.00 54.58 52.47 3m2d n ASN 195 Cb 0.44 -0.31 0.05 0.00 -2.53 0.00 0.00 39.78 37.43 3m2d n ASN 195 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 3m2d n ASN 196 N 1.00 0.81 -4.12 0.53 0.23 -1.26 -0.43 115.26 112.01 3m2d n ASN 196 Ca 0.16 -2.38 -0.29 0.00 -0.53 0.00 0.00 54.58 51.55 3m2d n ASN 196 Cb 0.50 -0.28 -0.17 0.00 -2.08 0.00 0.00 39.78 37.75 3m2d n ASN 196 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3m2d s VAL 197 N -0.96 1.67 -0.44 3.53 1.01 -1.26 -4.71 120.40 119.23 3m2d s VAL 197 Ca 0.12 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 61.04 3m2d s VAL 197 Cb 0.11 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 35.04 3m2d s VAL 197 CO 0.00 0.47 1.16 0.12 0.00 0.00 0.00 175.10 176.86 3m2d s PHE 198 N 0.60 2.82 0.33 5.22 5.36 0.00 -4.89 117.98 127.42 3m2d s PHE 198 Ca -0.14 0.79 0.04 0.00 -0.96 0.00 0.00 56.93 56.66 3m2d s PHE 198 Cb -0.17 -4.30 -0.02 0.00 -0.34 0.00 0.00 43.02 38.19 3m2d s PHE 198 CO 0.05 -1.29 0.33 0.95 -1.46 0.00 0.00 175.22 173.80 3m2d s THR 199 N 4.44 0.00 -0.52 0.12 -4.23 -1.26 -4.34 115.64 109.85 3m2d s THR 199 Ca 0.49 -1.89 0.05 0.00 -1.18 0.00 0.00 61.69 59.16 3m2d s THR 199 Cb -0.09 -2.54 0.34 0.00 1.34 0.00 0.00 72.50 71.55 3m2d s THR 199 CO 0.29 0.00 1.16 -0.46 -0.54 0.00 0.00 174.62 175.07 3m2d n ASN 200 N -1.45 3.17 0.18 3.99 2.04 -1.26 -4.53 115.26 117.41 3m2d n ASN 200 Ca 0.05 -2.50 0.09 0.00 -0.44 0.00 0.00 54.58 51.78 3m2d n ASN 200 Cb 0.62 -0.60 0.62 0.00 -2.53 0.00 0.00 39.78 37.88 3m2d n ASN 200 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 3m2d h GLU 201 N 1.34 0.08 -0.65 -3.83 4.81 -1.95 -2.28 114.58 112.10 3m2d h GLU 201 Ca 0.09 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.36 3m2d h GLU 201 Cb 1.37 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.68 3m2d h GLU 201 CO 0.30 0.05 0.37 0.35 -0.73 0.00 0.00 179.01 179.36 3m2d h PHE 202 N 0.08 0.69 -0.32 0.92 3.57 -1.84 0.68 116.94 120.72 3m2d h PHE 202 Ca 0.06 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.50 3m2d h PHE 202 Cb 0.14 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 3m2d h PHE 202 CO -0.00 0.36 -0.13 1.88 -2.23 0.00 0.00 178.31 178.19 3m2d h TYR 203 N 0.71 0.75 -0.51 0.41 -1.99 -1.76 -1.04 116.97 113.54 3m2d h TYR 203 Ca 0.28 -0.18 0.01 0.00 2.00 0.00 0.00 58.73 60.85 3m2d h TYR 203 Cb 0.12 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 38.65 3m2d h TYR 203 CO -0.07 0.86 0.32 -0.07 -0.00 0.00 0.00 178.16 179.20 3m2d h LEU 204 N 0.42 0.54 -0.59 3.88 3.38 -1.41 -1.66 115.31 119.86 3m2d h LEU 204 Ca 0.07 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 3m2d h LEU 204 Cb 0.65 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3m2d h LEU 204 CO 0.04 0.39 0.02 0.78 0.09 0.00 0.00 178.44 179.75 3m2d h ASN 205 N 0.65 1.01 -0.70 -0.43 2.35 -0.76 0.19 115.58 117.88 3m2d h ASN 205 Ca 0.19 -0.30 0.08 0.00 -0.55 0.00 0.00 56.30 55.72 3m2d h ASN 205 Cb -0.03 -0.27 -0.06 0.00 0.05 0.00 0.00 38.32 38.00 3m2d h ASN 205 CO -0.06 1.06 0.38 -0.07 -1.65 0.00 0.00 177.43 177.08 3m2d h LEU 206 N 0.93 0.53 0.00 1.61 3.38 -0.88 -1.53 115.31 119.35 3m2d h LEU 206 Ca 0.17 0.04 -0.17 0.00 0.09 0.00 0.00 57.88 58.01 3m2d h LEU 206 Cb 0.53 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3m2d h LEU 206 CO 0.03 0.33 -0.85 -0.07 0.09 0.00 0.00 178.44 177.97 3m2d h LEU 207 N 0.67 0.00 0.00 1.67 3.38 -0.95 -3.40 115.31 116.68 3m2d h LEU 207 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3m2d h LEU 207 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3m2d h LEU 207 CO -0.22 0.80 -1.49 0.59 0.09 0.00 0.00 178.44 178.21 3m2d n ASN 208 N -3.28 2.42 -4.85 -0.43 5.03 0.62 -4.99 115.26 109.79 3m2d n ASN 208 Ca -0.00 -0.02 -0.31 0.00 0.87 0.00 0.00 54.58 55.12 3m2d n ASN 208 Cb 0.86 1.50 0.03 0.00 -1.02 0.00 0.00 39.78 41.15 3m2d n ASN 208 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 3m2d s GLU 209 N -2.75 3.24 -0.58 3.52 0.41 -0.60 -5.00 118.70 116.93 3m2d s GLU 209 Ca -0.04 0.82 -0.18 0.00 -0.41 0.00 0.00 54.97 55.16 3m2d s GLU 209 Cb 0.07 -2.03 0.11 0.00 -1.78 0.00 0.00 34.13 30.50 3m2d s GLU 209 CO 0.46 -0.85 0.64 -0.51 -0.49 0.00 0.00 175.26 174.52 3m2d s ASP 210 N -4.02 6.19 0.05 -0.19 1.01 -1.26 -4.98 116.67 113.47 3m2d s ASP 210 Ca 0.57 -1.54 -0.18 0.00 0.71 0.00 0.00 52.55 52.10 3m2d s ASP 210 Cb -0.12 -2.27 -0.06 0.00 1.01 0.00 0.00 42.92 41.47 3m2d s ASP 210 CO 0.54 -1.04 0.54 0.26 0.21 0.00 0.00 175.17 175.68 3m2d s TRP 211 N 2.36 3.78 -0.05 4.23 0.52 -1.26 -4.40 118.94 124.12 3m2d s TRP 211 Ca 0.09 1.21 0.06 0.00 0.02 0.00 0.00 56.10 57.48 3m2d s TRP 211 Cb -0.26 -2.46 -0.01 0.00 -1.15 0.00 0.00 33.47 29.59 3m2d s TRP 211 CO 0.05 0.58 -0.23 0.15 0.02 0.00 0.00 176.95 177.52 3m2d s LYS 212 N -1.02 2.27 -0.46 4.98 1.02 -0.08 -4.90 119.74 121.55 3m2d s LYS 212 Ca 0.28 -0.84 -0.27 0.00 0.02 0.00 0.00 55.97 55.16 3m2d s LYS 212 Cb -0.19 -1.98 0.03 0.00 -0.52 0.00 0.00 37.83 35.17 3m2d s LYS 212 CO 0.18 0.38 1.01 -1.17 -0.92 0.00 0.00 175.35 174.83 3m2d s LEU 213 N -0.21 3.85 0.32 3.17 2.96 -1.26 -0.56 118.68 126.95 3m2d s LEU 213 Ca -0.01 0.30 0.06 0.00 -0.22 0.00 0.00 54.13 54.26 3m2d s LEU 213 Cb -0.12 -3.35 -0.06 0.00 0.50 0.00 0.00 46.19 43.16 3m2d s LEU 213 CO 0.02 -1.12 -0.02 -1.61 -1.32 0.00 0.00 176.35 172.30 3m2d s GLU 214 N 4.02 1.66 -0.14 1.98 2.02 -0.12 -4.96 118.70 123.17 3m2d s GLU 214 Ca 0.42 -1.88 -0.07 0.00 0.02 0.00 0.00 54.97 53.46 3m2d s GLU 214 Cb -0.09 -1.21 -0.04 0.00 0.10 0.00 0.00 34.13 32.89 3m2d s GLU 214 CO 0.28 -0.02 0.10 0.15 0.02 0.00 0.00 175.26 175.79 3m2d s LYS 215 N -3.75 3.62 0.64 1.61 1.02 -1.26 -1.03 119.74 120.60 3m2d s LYS 215 Ca 0.32 -0.23 -0.06 0.00 0.02 0.00 0.00 55.97 56.02 3m2d s LYS 215 Cb 0.06 -3.18 0.14 0.00 -0.52 0.00 0.00 37.83 34.32 3m2d s LYS 215 CO 0.14 0.58 0.88 0.27 -0.92 0.00 0.00 175.35 176.29 3m2d n ASN 216 N 2.60 0.56 0.00 2.83 0.23 0.18 -4.91 115.26 116.75 3m2d n ASN 216 Ca -0.18 -1.62 0.11 0.00 -0.53 0.00 0.00 54.58 52.36 3m2d n ASN 216 Cb 0.54 -0.62 0.59 0.00 -2.08 0.00 0.00 39.78 38.20 3m2d n ASN 216 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3m2d n ASP 217 N -3.28 0.00 -1.10 0.53 8.00 -1.26 -1.40 116.55 118.04 3m2d n ASP 217 Ca 0.13 -0.15 0.09 0.00 0.71 0.00 0.00 54.79 55.56 3m2d n ASP 217 Cb 0.44 -0.24 0.26 0.00 -0.02 0.00 0.00 41.12 41.56 3m2d n ASP 217 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3m2d n ALA 218 N -1.24 2.50 -1.47 2.24 0.00 -1.26 -4.94 120.51 116.34 3m2d n ALA 218 Ca 0.12 -1.05 -0.12 0.00 0.00 0.00 0.00 53.44 52.39 3m2d n ALA 218 Cb 0.16 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 3m2d n ALA 218 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3m2d n ASN 219 N 1.13 -4.32 -4.76 0.00 4.05 -0.49 -5.02 115.26 105.85 3m2d n ASN 219 Ca 0.19 0.25 -0.32 0.00 0.45 0.00 0.00 54.58 55.15 3m2d n ASN 219 Cb 0.53 -2.96 -0.07 0.00 1.23 0.00 0.00 39.78 38.50 3m2d n ASN 219 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 3m2d s ASN 220 N -2.82 5.54 0.19 1.20 0.01 -1.26 -4.85 114.94 112.94 3m2d s ASN 220 Ca 0.00 0.08 -0.30 0.00 -0.71 0.00 0.00 52.86 51.93 3m2d s ASN 220 Cb 0.00 -1.54 -0.08 0.00 0.41 0.00 0.00 41.25 40.04 3m2d s ASN 220 CO 0.00 0.25 1.01 -1.61 -1.51 0.00 0.00 177.10 175.24 3m2d s GLU 221 N -1.85 4.72 0.12 -0.60 2.02 -1.26 -0.65 118.70 121.20 3m2d s GLU 221 Ca 0.24 1.57 -0.09 0.00 0.02 0.00 0.00 54.97 56.70 3m2d s GLU 221 Cb -0.12 -3.30 -0.00 0.00 0.10 0.00 0.00 34.13 30.81 3m2d s GLU 221 CO 0.15 0.27 0.23 1.14 0.02 0.00 0.00 175.26 177.08 3m2d s GLN 222 N -0.61 0.97 -0.14 1.61 -2.07 -0.19 -4.59 119.66 114.64 3m2d s GLN 222 Ca 0.45 -1.03 -0.17 0.00 -1.82 0.00 0.00 55.36 52.79 3m2d s GLN 222 Cb -0.27 0.36 -0.04 0.00 -1.09 0.00 0.00 33.01 31.97 3m2d s GLN 222 CO 0.33 -0.33 0.44 -1.58 -1.32 0.00 0.00 175.29 172.83 3m2d s TRP 223 N -3.90 3.48 0.04 9.60 0.52 -0.39 -0.94 118.94 127.35 3m2d s TRP 223 Ca 0.09 0.81 0.07 0.00 0.02 0.00 0.00 56.10 57.09 3m2d s TRP 223 Cb 0.04 -2.53 -0.02 0.00 -1.15 0.00 0.00 33.47 29.81 3m2d s TRP 223 CO -0.07 0.14 -0.21 -0.51 0.02 0.00 0.00 176.95 176.32 3m2d s ASP 224 N 0.68 2.46 0.26 2.95 1.01 0.28 -0.43 116.67 123.88 3m2d s ASP 224 Ca 0.24 -0.51 0.10 0.00 0.71 0.00 0.00 52.55 53.08 3m2d s ASP 224 Cb -0.15 -0.21 -0.04 0.00 1.01 0.00 0.00 42.92 43.53 3m2d s ASP 224 CO 0.09 0.16 -0.05 -0.94 0.21 0.00 0.00 175.17 174.64 3m2d s SER 225 N -1.14 4.33 0.59 0.27 1.04 -0.13 -0.90 113.70 117.76 3m2d s SER 225 Ca 0.07 -0.72 0.34 0.00 0.48 0.00 0.00 55.95 56.12 3m2d s SER 225 Cb -0.09 -0.73 1.88 0.00 0.10 0.00 0.00 66.02 67.19 3m2d s SER 225 CO 0.02 0.02 2.23 0.11 0.98 0.00 0.00 173.24 176.59 3m2d h LYS 226 N 2.03 0.00 0.00 4.02 1.57 -1.89 -0.45 116.57 121.86 3m2d h LYS 226 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3m2d h LYS 226 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 3m2d h LYS 226 CO 0.60 0.03 0.00 0.43 -0.57 0.00 0.00 179.45 179.94 3m2d n SER 227 N -3.53 0.00 0.00 0.86 7.64 -1.26 -4.87 113.62 112.46 3m2d n SER 227 Ca -0.02 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.11 3m2d n SER 227 Cb 0.13 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 3m2d n SER 227 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3m2d n GLY 228 N 0.42 0.72 3.92 0.23 0.00 -0.18 -5.07 105.19 105.23 3m2d n GLY 228 Ca 0.07 -0.48 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 3m2d n GLY 228 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3m2d s TYR 229 N -2.00 3.14 0.14 1.61 4.12 -1.24 -4.46 117.35 118.66 3m2d s TYR 229 Ca 0.00 -0.17 0.01 0.00 0.02 0.00 0.00 57.07 56.93 3m2d s TYR 229 Cb 0.00 -1.74 -0.04 0.00 -1.52 0.00 0.00 41.96 38.66 3m2d s TYR 229 CO 0.00 0.24 -0.01 0.00 0.02 0.00 0.00 175.55 175.80 3m2d s MET 230 N -4.02 0.98 -0.00 -0.62 0.23 0.14 -0.96 119.30 115.04 3m2d s MET 230 Ca 0.39 -1.45 0.02 0.00 -1.03 0.00 0.00 55.69 53.62 3m2d s MET 230 Cb -0.08 -0.15 -0.00 0.00 -1.53 0.00 0.00 34.83 33.07 3m2d s MET 230 CO 0.28 -0.12 -0.05 -1.64 -2.03 0.00 0.00 175.02 171.47 3m2d s MET 231 N -3.91 0.42 0.69 3.16 -1.94 0.42 -4.19 119.30 113.95 3m2d s MET 231 Ca 0.20 -0.19 -0.13 0.00 -1.71 0.00 0.00 55.69 53.86 3m2d s MET 231 Cb 0.06 -0.41 0.02 0.00 2.01 0.00 0.00 34.83 36.51 3m2d s MET 231 CO 0.00 0.11 1.09 -0.51 -0.01 0.00 0.00 175.02 175.70 3m2d s LEU 232 N -0.12 3.24 0.31 -0.03 1.43 -1.26 -1.26 118.68 120.99 3m2d s LEU 232 Ca 0.02 1.85 0.06 0.00 -1.03 0.00 0.00 54.13 55.03 3m2d s LEU 232 Cb -0.02 -4.53 0.75 0.00 0.03 0.00 0.00 46.19 42.43 3m2d s LEU 232 CO -0.00 -1.67 1.78 -0.65 0.23 0.00 0.00 176.35 176.03 3m2d h PRO 233 N -0.43 0.73 -0.06 1.29 0.11 -1.79 -0.52 132.00 131.33 3m2d h PRO 233 Ca -0.45 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 3m2d h PRO 233 Cb 1.23 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3m2d h PRO 233 CO 0.54 0.48 -0.41 1.79 -0.21 0.00 0.00 178.00 180.19 3m2d h THR 234 N 0.75 1.30 -0.18 -1.15 1.35 -1.42 -0.58 112.91 112.99 3m2d h THR 234 Ca 0.58 -1.47 -0.02 0.00 -0.55 0.00 0.00 66.41 64.95 3m2d h THR 234 Cb 0.92 1.72 -0.01 0.00 -1.73 0.00 0.00 68.15 69.05 3m2d h THR 234 CO -0.38 0.43 0.04 0.44 -0.25 0.00 0.00 175.52 175.80 3m2d h ASP 235 N 0.10 0.29 0.18 5.36 3.32 -1.46 -3.07 116.42 121.14 3m2d h ASP 235 Ca 0.01 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 56.78 3m2d h ASP 235 Cb 0.77 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 3m2d h ASP 235 CO 0.06 0.46 -0.16 0.22 -1.72 0.00 0.00 179.24 178.10 3m2d h TYR 236 N 0.10 0.00 -0.00 4.55 5.03 -0.83 -1.30 116.97 124.52 3m2d h TYR 236 Ca 0.06 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.37 3m2d h TYR 236 Cb 0.29 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.57 3m2d h TYR 236 CO 0.01 0.16 0.00 0.66 -1.32 0.00 0.00 178.16 177.67 3m2d h SER 237 N 0.00 0.00 0.95 -2.11 4.64 -1.00 -0.76 113.55 115.27 3m2d h SER 237 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m2d h SER 237 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3m2d h SER 237 CO 0.02 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 175.91 3m2d h LEU 238 N 0.00 0.00 -0.88 5.97 3.38 -1.33 -1.82 115.31 120.63 3m2d h LEU 238 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3m2d h LEU 238 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3m2d h LEU 238 CO -0.00 0.00 -0.26 2.30 0.09 0.00 0.00 178.44 180.57 3m2d n ILE 239 N -2.70 0.00 0.05 1.22 -5.35 -0.32 -1.89 119.36 110.37 3m2d n ILE 239 Ca 0.02 -0.37 -0.13 0.00 -0.27 0.00 0.00 62.75 62.00 3m2d n ILE 239 Cb 0.29 1.17 -0.14 0.00 -1.74 0.00 0.00 39.64 39.22 3m2d n ILE 239 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 3m2d h GLN 240 N 1.61 0.15 -5.90 6.28 4.20 -1.11 -3.45 115.11 116.88 3m2d h GLN 240 Ca 0.00 -0.26 -0.58 0.00 0.06 0.00 0.00 58.65 57.88 3m2d h GLN 240 Cb 0.47 0.10 -0.07 0.00 0.30 0.00 0.00 27.48 28.28 3m2d h GLN 240 CO 0.00 0.98 0.25 0.34 -0.67 0.00 0.00 178.83 179.73 3m2d s ASP 241 N -6.77 6.90 0.44 1.46 2.15 -0.73 -4.96 116.67 115.17 3m2d s ASP 241 Ca -0.06 1.10 0.21 0.00 0.43 0.00 0.00 52.55 54.23 3m2d s ASP 241 Cb 0.08 -2.42 1.02 0.00 -0.30 0.00 0.00 42.92 41.30 3m2d s ASP 241 CO 0.84 -0.30 1.90 1.55 -0.17 0.00 0.00 175.17 178.99 3m2d h PRO 242 N 7.23 0.00 -0.17 4.34 0.13 -1.91 -0.70 132.00 140.92 3m2d h PRO 242 Ca -0.33 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.73 3m2d h PRO 242 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 3m2d h PRO 242 CO 0.80 0.25 -0.19 0.87 -0.23 0.00 0.00 178.00 179.51 3m2d h LYS 243 N 0.00 0.42 -0.66 0.86 1.57 -1.93 -2.84 116.57 113.99 3m2d h LYS 243 Ca -0.00 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.50 3m2d h LYS 243 Cb 0.59 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 3m2d h LYS 243 CO 0.03 0.80 0.22 1.88 -0.57 0.00 0.00 179.45 181.81 3m2d h TYR 244 N 0.06 1.03 -0.55 -1.35 0.99 -1.75 -3.13 116.97 112.27 3m2d h TYR 244 Ca 0.02 -0.08 0.04 0.00 2.00 0.00 0.00 58.73 60.70 3m2d h TYR 244 Cb 0.73 -0.30 -0.04 0.00 1.00 0.00 0.00 36.73 38.12 3m2d h TYR 244 CO 0.08 0.81 0.31 1.25 -0.00 0.00 0.00 178.16 180.62 3m2d h LEU 245 N 0.97 0.48 -1.01 3.88 5.85 -0.40 -0.32 115.31 124.77 3m2d h LEU 245 Ca 0.22 0.01 0.13 0.00 0.84 0.00 0.00 57.88 59.08 3m2d h LEU 245 Cb 0.25 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.11 3m2d h LEU 245 CO -0.01 0.33 0.63 0.28 -0.34 0.00 0.00 178.44 179.34 3m2d h SER 246 N 0.61 0.92 0.10 1.25 0.02 -1.45 -1.04 113.55 113.96 3m2d h SER 246 Ca 0.23 0.05 -0.26 0.00 -0.84 0.00 0.00 61.79 60.98 3m2d h SER 246 Cb 0.08 -0.13 0.02 0.00 0.14 0.00 0.00 62.40 62.51 3m2d h SER 246 CO -0.13 0.47 -1.03 0.40 -1.14 0.00 0.00 176.83 175.41 3m2d h ILE 247 N 0.97 1.31 -0.50 3.27 2.04 -1.25 -1.82 117.51 121.53 3m2d h ILE 247 Ca 0.51 -2.31 0.09 0.00 1.00 0.00 0.00 64.86 64.14 3m2d h ILE 247 Cb 0.54 2.40 -0.07 0.00 -0.74 0.00 0.00 36.82 38.95 3m2d h ILE 247 CO -0.28 0.71 0.10 0.58 0.00 0.00 0.00 178.15 179.26 3m2d h VAL 248 N 0.35 0.72 -0.90 1.67 2.07 -0.75 -1.09 116.25 118.31 3m2d h VAL 248 Ca -0.12 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 3m2d h VAL 248 Cb 1.68 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 3m2d h VAL 248 CO 0.20 0.04 0.53 0.11 0.02 0.00 0.00 177.57 178.47 3m2d h LYS 249 N 0.23 1.24 -0.27 1.57 1.57 -1.10 -0.20 116.57 119.61 3m2d h LYS 249 Ca 0.25 -0.12 0.02 0.00 -1.87 0.00 0.00 60.65 58.93 3m2d h LYS 249 Cb 0.34 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3m2d h LYS 249 CO -0.33 0.88 0.12 0.93 -0.57 0.00 0.00 179.45 180.48 3m2d h GLU 250 N 1.25 0.25 -0.04 3.15 5.08 -0.43 -2.20 114.58 121.63 3m2d h GLU 250 Ca 0.32 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.52 3m2d h GLU 250 Cb -0.03 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3m2d h GLU 250 CO -0.06 0.17 -0.64 1.88 -1.00 0.00 0.00 179.01 179.35 3m2d h TYR 251 N 0.26 0.23 0.00 4.33 0.99 -0.96 -1.75 116.97 120.07 3m2d h TYR 251 Ca 0.11 -0.10 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 3m2d h TYR 251 Cb 0.05 -0.04 -0.00 0.00 1.00 0.00 0.00 36.73 37.74 3m2d h TYR 251 CO -0.10 0.77 -0.05 0.00 -0.00 0.00 0.00 178.16 178.78 3m2d h ALA 252 N 1.21 1.19 -0.18 3.88 0.00 -0.82 -2.95 119.26 121.58 3m2d h ALA 252 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3m2d h ALA 252 Cb 1.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3m2d h ALA 252 CO 0.10 0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.49 3m2d n ASN 253 N -3.41 2.46 -3.27 0.00 3.02 -0.82 -4.84 115.26 108.39 3m2d n ASN 253 Ca -0.02 -1.73 -0.06 0.00 -0.03 0.00 0.00 54.58 52.73 3m2d n ASN 253 Cb 0.17 -0.12 -0.04 0.00 -0.61 0.00 0.00 39.78 39.19 3m2d n ASN 253 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3m2d s ASP 254 N -0.99 -0.40 0.27 6.41 -1.08 -0.72 -5.02 116.67 115.15 3m2d s ASP 254 Ca 0.19 -0.99 -0.04 0.00 -0.52 0.00 0.00 52.55 51.19 3m2d s ASP 254 Cb 0.11 1.38 0.35 0.00 -1.46 0.00 0.00 42.92 43.30 3m2d s ASP 254 CO 0.16 -0.23 1.92 1.56 0.52 0.00 0.00 175.17 179.10 3m2d h GLN 255 N 7.17 1.22 -0.35 4.34 4.20 -1.88 -1.78 115.11 128.04 3m2d h GLN 255 Ca 0.04 -0.07 -0.12 0.00 0.06 0.00 0.00 58.65 58.55 3m2d h GLN 255 Cb 1.13 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 3m2d h GLN 255 CO 0.15 0.81 -0.27 0.22 -0.67 0.00 0.00 178.83 179.07 3m2d h ASP 256 N 1.26 0.74 -0.45 1.46 3.58 -1.95 -0.65 116.42 120.42 3m2d h ASP 256 Ca 0.38 -0.28 -0.06 0.00 0.42 0.00 0.00 57.03 57.49 3m2d h ASP 256 Cb -0.04 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.78 3m2d h ASP 256 CO -0.11 0.98 0.05 0.50 -2.88 0.00 0.00 179.24 177.78 3m2d h LYS 257 N 0.62 0.75 -0.26 0.28 1.63 -1.86 0.10 116.57 117.84 3m2d h LYS 257 Ca 0.08 -0.21 0.01 0.00 -0.85 0.00 0.00 60.65 59.68 3m2d h LYS 257 Cb 0.78 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.31 3m2d h LYS 257 CO 0.06 0.79 0.15 0.35 -3.45 0.00 0.00 179.45 177.35 3m2d h PHE 258 N 0.61 0.27 -0.32 1.91 3.57 -1.09 -0.26 116.94 121.63 3m2d h PHE 258 Ca 0.13 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.69 3m2d h PHE 258 Cb 0.41 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.02 3m2d h PHE 258 CO 0.03 0.16 0.06 0.74 -2.23 0.00 0.00 178.31 177.08 3m2d h PHE 259 N 0.30 0.11 -0.55 0.41 0.05 -0.62 0.19 116.94 116.83 3m2d h PHE 259 Ca 0.10 0.02 -0.06 0.00 3.82 0.00 0.00 57.97 61.85 3m2d h PHE 259 Cb 0.00 -0.00 -0.02 0.00 2.00 0.00 0.00 35.95 37.93 3m2d h PHE 259 CO -0.08 0.02 0.12 0.87 -0.18 0.00 0.00 178.31 179.06 3m2d h LYS 260 N 0.18 0.88 -0.22 1.51 1.57 -0.72 -1.25 116.57 118.53 3m2d h LYS 260 Ca 0.15 -0.22 -0.18 0.00 -1.87 0.00 0.00 60.65 58.54 3m2d h LYS 260 Cb 0.16 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 3m2d h LYS 260 CO -0.20 0.84 -0.58 -0.44 -0.57 0.00 0.00 179.45 178.50 3m2d h ASP 261 N 0.78 0.77 -0.25 0.86 3.32 -0.81 -2.56 116.42 118.53 3m2d h ASP 261 Ca 0.17 -0.43 0.01 0.00 0.02 0.00 0.00 57.03 56.80 3m2d h ASP 261 Cb 0.36 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3m2d h ASP 261 CO 0.00 1.18 0.15 0.15 -1.72 0.00 0.00 179.24 179.00 3m2d h PHE 262 N 0.52 0.28 -0.50 4.55 3.57 -0.55 -1.33 116.94 123.48 3m2d h PHE 262 Ca 0.00 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.58 3m2d h PHE 262 Cb 1.16 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.75 3m2d h PHE 262 CO 0.06 0.17 0.18 1.03 -2.23 0.00 0.00 178.31 177.51 3m2d h SER 263 N 0.30 0.18 -0.15 0.41 0.87 -1.13 0.25 113.55 114.28 3m2d h SER 263 Ca 0.10 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 3m2d h SER 263 Cb -0.01 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 3m2d h SER 263 CO -0.04 0.13 0.06 0.11 -0.53 0.00 0.00 176.83 176.56 3m2d h LYS 264 N 0.35 0.22 -0.41 2.24 1.57 -1.33 -1.37 116.57 117.84 3m2d h LYS 264 Ca 0.24 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.90 3m2d h LYS 264 Cb 0.26 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3m2d h LYS 264 CO -0.25 0.29 -0.10 0.00 -0.57 0.00 0.00 179.45 178.83 3m2d h ALA 265 N 0.91 1.07 -0.18 3.86 0.00 -0.78 -0.72 119.26 123.43 3m2d h ALA 265 Ca 0.05 -0.30 -0.22 0.00 0.00 0.00 0.00 54.91 54.44 3m2d h ALA 265 Cb 0.15 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.78 3m2d h ALA 265 CO -0.00 0.57 -0.74 0.35 0.00 0.00 0.00 179.25 179.43 3m2d h PHE 266 N 0.65 1.09 -0.49 0.00 -0.00 -0.46 -0.34 116.94 117.40 3m2d h PHE 266 Ca 0.12 -0.46 0.02 0.00 -0.00 0.00 0.00 57.97 57.64 3m2d h PHE 266 Cb 0.54 -0.17 -0.03 0.00 -0.00 0.00 0.00 35.95 36.29 3m2d h PHE 266 CO 0.03 1.30 0.31 1.49 -0.00 0.00 0.00 178.31 181.43 3m2d h GLU 267 N 0.57 0.60 -0.43 1.11 4.81 -1.15 -1.41 114.58 118.67 3m2d h GLU 267 Ca -0.04 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.17 3m2d h GLU 267 Cb 1.37 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.58 3m2d h GLU 267 CO 0.15 0.40 0.25 -0.22 -0.73 0.00 0.00 179.01 178.86 3m2d h LYS 268 N 0.62 0.49 -0.45 1.92 3.64 -0.92 -0.87 116.57 121.00 3m2d h LYS 268 Ca 0.19 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.61 3m2d h LYS 268 Cb -0.02 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 31.63 3m2d h LYS 268 CO -0.07 0.32 0.12 1.25 -2.27 0.00 0.00 179.45 178.81 3m2d h LEU 269 N 0.51 0.09 -0.78 5.20 5.85 -0.81 0.42 115.31 125.78 3m2d h LEU 269 Ca 0.18 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.96 3m2d h LEU 269 Cb 0.02 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3m2d h LEU 269 CO -0.09 0.08 0.00 -0.07 -0.34 0.00 0.00 178.44 178.02 3m2d h LEU 270 N 0.27 0.00 0.00 2.25 4.07 -0.70 -3.13 115.31 118.07 3m2d h LEU 270 Ca 0.22 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.18 3m2d h LEU 270 Cb 0.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.99 3m2d h LEU 270 CO -0.25 0.00 -1.01 -0.62 -1.08 0.00 0.00 178.44 175.47 3m2d n GLU 271 N -2.37 1.87 -1.48 1.13 1.02 -0.38 -4.72 120.64 115.72 3m2d n GLU 271 Ca 0.02 -0.05 -0.45 0.00 -0.02 0.00 0.00 57.16 56.66 3m2d n GLU 271 Cb 0.25 -1.13 -0.02 0.00 -0.02 0.00 0.00 31.44 30.53 3m2d n GLU 271 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3m2d n ASN 272 N -1.57 -0.28 0.00 1.62 5.03 0.14 -1.94 115.26 118.25 3m2d n ASN 272 Ca -0.00 1.10 0.00 0.00 0.87 0.00 0.00 54.58 56.54 3m2d n ASN 272 Cb 0.22 -1.11 0.00 0.00 -1.02 0.00 0.00 39.78 37.88 3m2d n ASN 272 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3m2d n GLY 273 N 1.68 2.30 3.69 7.41 0.00 -1.26 -4.38 105.19 114.63 3m2d n GLY 273 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 3m2d n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3m2d s ILE 274 N -2.59 5.14 -0.26 -0.61 1.01 -0.82 -4.15 121.20 118.92 3m2d s ILE 274 Ca 0.00 0.09 -0.14 0.00 0.00 0.00 0.00 60.65 60.60 3m2d s ILE 274 Cb 0.00 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 3m2d s ILE 274 CO 0.00 0.45 0.35 -0.89 0.00 0.00 0.00 174.94 174.85 3m2d s THR 275 N 0.37 5.20 -0.31 2.92 2.01 0.44 -4.96 115.64 121.30 3m2d s THR 275 Ca 0.06 0.53 -0.15 0.00 0.31 0.00 0.00 61.69 62.43 3m2d s THR 275 Cb -0.12 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 3m2d s THR 275 CO -0.01 0.18 0.39 -0.36 -0.69 0.00 0.00 174.62 174.13 3m2d s PHE 276 N 1.91 3.22 0.74 4.92 0.08 -1.26 -1.04 117.98 126.55 3m2d s PHE 276 Ca 0.14 0.20 -0.16 0.00 0.12 0.00 0.00 56.93 57.24 3m2d s PHE 276 Cb -0.16 -2.66 -0.01 0.00 -0.57 0.00 0.00 43.02 39.62 3m2d s PHE 276 CO 0.10 -0.36 0.74 -2.30 -0.10 0.00 0.00 175.22 173.30 3m2d n PRO 277 N 5.41 0.33 0.03 0.24 -0.02 -1.26 -4.85 135.00 134.89 3m2d n PRO 277 Ca -0.08 0.16 0.17 0.00 -2.02 0.00 0.00 63.50 61.73 3m2d n PRO 277 Cb 0.50 -2.03 0.65 0.00 -0.02 0.00 0.00 33.50 32.60 3m2d n PRO 277 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3m2d h LYS 278 N -0.44 0.07 -0.44 -0.52 3.64 -2.01 -1.29 116.57 115.57 3m2d h LYS 278 Ca -0.46 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 3m2d h LYS 278 Cb 1.34 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 3m2d h LYS 278 CO 0.44 0.05 0.00 -0.40 -2.27 0.00 0.00 179.45 177.27 3m2d n ASP 279 N -4.43 4.87 -4.74 4.20 3.85 -1.26 -4.99 116.55 114.06 3m2d n ASP 279 Ca 0.07 -2.94 -0.33 0.00 -0.71 0.00 0.00 54.79 50.89 3m2d n ASP 279 Cb 0.47 -0.61 0.09 0.00 -1.35 0.00 0.00 41.12 39.72 3m2d n ASP 279 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3m2d s ALA 280 N -2.73 2.14 0.68 2.12 0.00 -0.49 -4.97 121.76 118.51 3m2d s ALA 280 Ca 0.49 0.63 -0.17 0.00 0.00 0.00 0.00 51.96 52.91 3m2d s ALA 280 Cb 0.38 -3.39 -0.00 0.00 0.00 0.00 0.00 23.12 20.11 3m2d s ALA 280 CO 0.13 -1.83 1.18 -2.30 0.00 0.00 0.00 175.76 172.95 3m2d n PRO 281 N -3.01 0.86 -0.92 0.00 -0.02 -1.26 -4.98 135.00 125.67 3m2d n PRO 281 Ca 0.12 0.35 -0.32 0.00 -2.02 0.00 0.00 63.50 61.62 3m2d n PRO 281 Cb 0.51 -2.42 0.15 0.00 -0.02 0.00 0.00 33.50 31.72 3m2d n PRO 281 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3m2d s SER 282 N -1.50 3.28 0.45 2.55 0.01 -1.26 -4.94 113.70 112.27 3m2d s SER 282 Ca 0.79 2.28 -0.25 0.00 1.31 0.00 0.00 55.95 60.09 3m2d s SER 282 Cb -0.37 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.20 3m2d s SER 282 CO 0.44 -2.87 1.36 -2.65 0.41 0.00 0.00 173.24 169.92 3m2d n PRO 283 N -3.74 2.07 -3.24 12.44 -0.02 -1.26 -4.94 135.00 136.32 3m2d n PRO 283 Ca 0.13 0.74 -0.38 0.00 -2.02 0.00 0.00 63.50 61.96 3m2d n PRO 283 Cb 0.51 -2.52 -0.06 0.00 -0.02 0.00 0.00 33.50 31.41 3m2d n PRO 283 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3m2d s PHE 284 N -1.20 3.80 -0.31 6.00 2.99 0.76 -4.80 117.98 125.21 3m2d s PHE 284 Ca 0.62 1.31 -0.01 0.00 0.00 0.00 0.00 56.93 58.85 3m2d s PHE 284 Cb -0.47 -2.53 0.06 0.00 0.00 0.00 0.00 43.02 40.09 3m2d s PHE 284 CO 0.57 0.56 0.02 0.42 -0.00 0.00 0.00 175.22 176.79 3m2d s ILE 285 N -1.16 2.86 0.34 0.64 1.01 -1.26 -1.04 121.20 122.59 3m2d s ILE 285 Ca 0.31 -1.60 -0.26 0.00 0.00 0.00 0.00 60.65 59.10 3m2d s ILE 285 Cb -0.19 -2.74 -0.09 0.00 0.01 0.00 0.00 42.46 39.45 3m2d s ILE 285 CO 0.20 -0.22 1.02 -0.36 0.00 0.00 0.00 174.94 175.57 3m2d s PHE 286 N 1.19 3.53 0.28 3.97 0.08 -1.26 -5.04 117.98 120.72 3m2d s PHE 286 Ca -0.02 1.72 -0.29 0.00 0.12 0.00 0.00 56.93 58.46 3m2d s PHE 286 Cb -0.20 -3.08 -0.09 0.00 -0.57 0.00 0.00 43.02 39.07 3m2d s PHE 286 CO -0.03 -0.25 1.00 0.15 -0.10 0.00 0.00 175.22 175.99 3m2d s LYS 287 N -2.03 4.69 0.92 0.44 -0.14 -1.26 -4.99 119.74 117.37 3m2d s LYS 287 Ca 0.51 1.57 -0.12 0.00 -1.36 0.00 0.00 55.97 56.57 3m2d s LYS 287 Cb -0.23 -3.11 0.14 0.00 -1.68 0.00 0.00 37.83 32.95 3m2d s LYS 287 CO 0.29 0.33 1.10 0.95 -0.76 0.00 0.00 175.35 177.26 3m2d s THR 288 N -1.28 2.43 0.21 2.17 -4.23 -1.26 -4.88 115.64 108.79 3m2d s THR 288 Ca 0.45 0.14 -0.09 0.00 -1.18 0.00 0.00 61.69 61.01 3m2d s THR 288 Cb -0.26 -2.69 0.15 0.00 1.34 0.00 0.00 72.50 71.03 3m2d s THR 288 CO 0.33 -0.18 1.80 -0.07 -0.54 0.00 0.00 174.62 175.96 3m2d h LEU 289 N -1.60 0.53 -0.65 4.79 3.38 -1.97 -2.16 115.31 117.63 3m2d h LEU 289 Ca -0.51 0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.53 3m2d h LEU 289 Cb 1.30 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.95 3m2d h LEU 289 CO 0.57 0.33 0.40 -0.08 0.09 0.00 0.00 178.44 179.75 3m2d h GLU 290 N 0.66 0.76 0.00 1.13 4.81 -1.93 -0.20 114.58 119.81 3m2d h GLU 290 Ca 0.31 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.46 3m2d h GLU 290 Cb 0.23 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 3m2d h GLU 290 CO -0.20 0.50 -0.14 0.93 -0.73 0.00 0.00 179.01 179.37 3m2d h GLU 291 N 0.78 0.00 -0.00 1.92 5.08 -1.80 -1.98 114.58 118.58 3m2d h GLU 291 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3m2d h GLU 291 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3m2d h GLU 291 CO -0.11 0.14 -0.17 1.04 -1.00 0.00 0.00 179.01 178.90 3m2d n GLN 292 N -4.24 0.46 -1.14 2.33 6.02 -0.64 -4.93 117.38 115.24 3m2d n GLN 292 Ca -0.02 -0.17 -0.05 0.00 -0.01 0.00 0.00 57.00 56.75 3m2d n GLN 292 Cb 0.21 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.96 3m2d n GLN 292 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3m2d n GLY 293 N 1.36 0.75 0.80 1.08 0.00 -0.42 -5.08 105.19 103.68 3m2d n GLY 293 Ca 0.11 -0.84 0.10 0.00 0.00 0.00 0.00 46.02 45.39 3m2d n GLY 293 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36