#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mr9 s PRO 3 N 0.00 3.28 -0.16 1.61 0.04 -1.26 -5.06 135.00 133.46 1mr9 s PRO 3 Ca 0.00 -0.01 -0.26 0.00 0.04 0.00 0.00 61.00 60.78 1mr9 s PRO 3 Cb 0.00 -2.39 -0.01 0.00 0.04 0.00 0.00 34.50 32.13 1mr9 s PRO 3 CO 0.00 -0.33 0.85 1.21 0.04 0.00 0.00 177.00 178.77 1mr9 s ASN 4 N -4.18 7.00 0.00 6.66 3.84 -1.26 -5.08 114.94 121.92 1mr9 s ASN 4 Ca 0.49 1.22 -0.02 0.00 0.21 0.00 0.00 52.86 54.76 1mr9 s ASN 4 Cb -0.10 -2.47 -0.11 0.00 -0.55 0.00 0.00 41.25 38.02 1mr9 s ASN 4 CO 0.43 -0.40 2.22 -0.81 -2.79 0.00 0.00 177.10 175.76 1mr9 n PRO 5 N 5.15 1.15 0.00 0.43 -0.04 -1.26 -4.77 135.00 135.66 1mr9 n PRO 5 Ca 0.05 -0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.10 1mr9 n PRO 5 Cb 0.49 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 1mr9 n PRO 5 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1mr9 n LYS 7 N 2.19 0.00 -0.47 0.54 5.02 -1.26 -4.67 118.16 119.51 1mr9 n LYS 7 Ca 0.18 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.38 1mr9 n LYS 7 Cb 0.54 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.49 1mr9 n LYS 7 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1mr9 n TYR 9 N 0.00 0.06 0.76 2.13 4.02 -1.26 -4.45 117.16 118.42 1mr9 n TYR 9 Ca 0.00 0.04 0.02 0.00 -0.01 0.00 0.00 57.90 57.95 1mr9 n TYR 9 Cb 0.00 -0.35 0.10 0.00 -0.02 0.00 0.00 39.34 39.06 1mr9 n TYR 9 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1mr9 n PRO 10 N 2.04 1.84 -3.64 -0.72 -0.04 -1.26 -4.56 135.00 128.66 1mr9 n PRO 10 Ca 0.21 -0.77 -0.28 0.00 -0.04 0.00 0.00 63.50 62.62 1mr9 n PRO 10 Cb 0.03 -1.54 -0.16 0.00 -0.04 0.00 0.00 33.50 31.79 1mr9 n PRO 10 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1mr9 s ILE 11 N -1.53 0.26 -0.33 0.52 1.01 -1.26 -4.86 121.20 115.01 1mr9 s ILE 11 Ca 0.14 -0.75 -0.40 0.00 0.00 0.00 0.00 60.65 59.64 1mr9 s ILE 11 Cb 0.10 -1.07 -0.15 0.00 0.01 0.00 0.00 42.46 41.34 1mr9 s ILE 11 CO 0.05 -0.53 1.88 -0.62 0.00 0.00 0.00 174.94 175.73 1mr9 n GLU 12 N 5.12 0.95 0.00 2.79 4.71 -1.26 -2.06 120.64 130.89 1mr9 n GLU 12 Ca -0.06 0.33 0.00 0.00 -0.01 0.00 0.00 57.16 57.42 1mr9 n GLU 12 Cb 0.44 -2.09 0.00 0.00 -1.01 0.00 0.00 31.44 28.79 1mr9 n GLU 12 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1mr9 n GLY 13 N 5.09 1.58 2.49 0.62 0.00 -1.26 -5.01 105.19 108.70 1mr9 n GLY 13 Ca 0.33 -0.66 -0.45 0.00 0.00 0.00 0.00 46.02 45.24 1mr9 n GLY 13 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mr9 n ASN 14 N 3.01 0.75 -0.09 1.61 3.02 -0.87 -4.76 115.26 117.92 1mr9 n ASN 14 Ca 0.00 0.72 0.09 0.00 -0.03 0.00 0.00 54.58 55.37 1mr9 n ASN 14 Cb 0.00 -0.61 0.13 0.00 -0.61 0.00 0.00 39.78 38.69 1mr9 n ASN 14 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1mr9 n LYS 15 N 3.41 1.22 -0.12 3.52 -0.00 -1.26 -4.52 118.16 120.41 1mr9 n LYS 15 Ca 0.26 -2.48 -0.19 0.00 -0.00 0.00 0.00 58.31 55.90 1mr9 n LYS 15 Cb -0.04 -1.44 -0.11 0.00 -0.00 0.00 0.00 35.03 33.44 1mr9 n LYS 15 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1mr9 n SER 16 N -1.35 2.06 -4.68 -5.58 3.41 -1.26 -4.89 113.62 101.33 1mr9 n SER 16 Ca 0.15 -0.04 -0.43 0.00 -0.26 0.00 0.00 58.87 58.29 1mr9 n SER 16 Cb 0.64 -0.46 -0.02 0.00 -0.26 0.00 0.00 64.21 64.11 1mr9 n SER 16 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1mr9 s VAL 17 N -2.48 4.29 -0.05 -3.33 1.01 -1.26 -1.07 120.40 117.51 1mr9 s VAL 17 Ca -0.33 1.60 0.02 0.00 0.00 0.00 0.00 61.98 63.26 1mr9 s VAL 17 Cb 0.10 -4.03 0.01 0.00 0.00 0.00 0.00 36.38 32.46 1mr9 s VAL 17 CO 0.54 -0.06 -0.10 -1.10 0.00 0.00 0.00 175.10 174.38 1mr9 s GLN 18 N 2.73 1.34 0.08 2.72 -0.21 -0.06 -4.41 119.66 121.84 1mr9 s GLN 18 Ca 0.55 -0.33 -0.31 0.00 0.02 0.00 0.00 55.36 55.29 1mr9 s GLN 18 Cb -0.23 -1.17 -0.07 0.00 1.00 0.00 0.00 33.01 32.54 1mr9 s GLN 18 CO 0.18 0.04 1.32 -0.06 -2.12 0.00 0.00 175.29 174.65 1mr9 s PHE 19 N 0.57 3.27 0.07 0.91 2.99 -1.26 0.33 117.98 124.86 1mr9 s PHE 19 Ca -0.11 1.07 0.06 0.00 0.00 0.00 0.00 56.93 57.95 1mr9 s PHE 19 Cb -0.14 -3.58 -0.23 0.00 0.00 0.00 0.00 43.02 39.07 1mr9 s PHE 19 CO 0.02 -1.98 1.10 -0.84 -0.00 0.00 0.00 175.22 173.53 1mr9 h ILE 20 N 4.44 1.47 -0.19 0.64 3.07 -1.70 -3.40 117.51 121.85 1mr9 h ILE 20 Ca -0.41 -3.18 0.02 0.00 1.55 0.00 0.00 64.86 62.84 1mr9 h ILE 20 Cb 1.21 2.77 -0.04 0.00 -0.27 0.00 0.00 36.82 40.48 1mr9 h ILE 20 CO 0.85 0.86 -0.27 0.11 -1.05 0.00 0.00 178.15 178.65 1mr9 h LYS 21 N 0.01 -0.20 -0.45 0.16 1.79 -1.80 0.53 116.57 116.61 1mr9 h LYS 21 Ca -0.10 0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.47 1mr9 h LYS 21 Cb 1.86 0.04 -0.10 0.00 -1.58 0.00 0.00 32.23 32.46 1mr9 h LYS 21 CO 0.13 -0.13 -0.34 -1.00 -1.08 0.00 0.00 179.45 177.03 1mr9 h PRO 22 N -0.20 -0.23 0.14 3.15 0.13 -1.83 1.39 132.00 134.54 1mr9 h PRO 22 Ca 0.03 0.02 0.01 0.00 -0.87 0.00 0.00 66.00 65.19 1mr9 h PRO 22 Cb 0.30 0.05 -0.04 0.00 0.13 0.00 0.00 31.00 31.44 1mr9 h PRO 22 CO -0.29 -0.15 -0.47 0.82 -0.23 0.00 0.00 178.00 177.68 1mr9 h ILE 23 N -0.24 0.00 0.00 -3.56 2.04 -1.58 -0.47 117.51 113.70 1mr9 h ILE 23 Ca 0.18 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.04 1mr9 h ILE 23 Cb 0.55 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1mr9 h ILE 23 CO -0.58 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.75 1mr9 n LEU 24 N -5.12 0.00 0.00 1.44 4.77 0.11 -3.23 117.00 114.97 1mr9 n LEU 24 Ca -0.08 0.40 0.10 0.00 -0.03 0.00 0.00 56.01 56.40 1mr9 n LEU 24 Cb 0.37 -0.40 0.43 0.00 -2.33 0.00 0.00 43.42 41.49 1mr9 n LEU 24 CO 0.15 -0.21 0.82 1.21 -1.33 0.00 0.00 177.39 178.02 1mr9 n GLU 25 N -1.40 0.01 0.13 3.23 4.07 0.47 -1.02 120.64 126.13 1mr9 n GLU 25 Ca 0.05 0.15 -0.21 0.00 -0.06 0.00 0.00 57.16 57.09 1mr9 n GLU 25 Cb 0.14 -1.50 -0.15 0.00 -0.06 0.00 0.00 31.44 29.87 1mr9 n GLU 25 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1mr9 h LYS 26 N 0.00 0.42 -6.95 5.31 1.79 -1.63 -3.48 116.57 112.03 1mr9 h LYS 26 Ca 0.00 -0.72 -0.52 0.00 -2.18 0.00 0.00 60.65 57.23 1mr9 h LYS 26 Cb 0.34 0.27 0.08 0.00 -1.58 0.00 0.00 32.23 31.33 1mr9 h LYS 26 CO 0.00 1.35 0.57 -0.51 -1.08 0.00 0.00 179.45 179.78 1mr9 s LEU 27 N -7.39 4.18 0.30 2.94 1.43 -0.18 -4.99 118.68 114.96 1mr9 s LEU 27 Ca -0.07 2.55 -0.26 0.00 -1.03 0.00 0.00 54.13 55.32 1mr9 s LEU 27 Cb 0.05 -3.98 -0.10 0.00 0.03 0.00 0.00 46.19 42.20 1mr9 s LEU 27 CO 0.92 -0.84 0.92 -0.70 0.23 0.00 0.00 176.35 176.87 1mr9 s GLU 28 N -2.32 4.59 -1.40 1.70 2.12 -1.26 -3.56 118.70 118.57 1mr9 s GLU 28 Ca 0.58 1.30 0.00 0.00 0.36 0.00 0.00 54.97 57.21 1mr9 s GLU 28 Cb -0.35 -2.88 0.00 0.00 0.26 0.00 0.00 34.13 31.16 1mr9 s GLU 28 CO 0.45 0.33 0.00 0.09 -0.54 0.00 0.00 175.26 175.59 1mr9 n ASN 29 N 0.72 -5.02 -4.23 -1.70 3.02 -1.26 -4.93 115.26 101.85 1mr9 n ASN 29 Ca 0.01 0.33 -0.35 0.00 -0.03 0.00 0.00 54.58 54.54 1mr9 n ASN 29 Cb 0.50 -4.03 -0.14 0.00 -0.61 0.00 0.00 39.78 35.50 1mr9 n ASN 29 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1mr9 s VAL 30 N -2.09 3.10 -0.13 2.41 1.01 -1.23 -0.95 120.40 122.53 1mr9 s VAL 30 Ca 0.00 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 61.04 1mr9 s VAL 30 Cb 0.00 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 1mr9 s VAL 30 CO 0.00 0.19 -0.12 -0.70 0.00 0.00 0.00 175.10 174.47 1mr9 s GLU 31 N 1.37 3.39 0.15 2.72 2.12 -0.72 -4.77 118.70 122.96 1mr9 s GLU 31 Ca 0.01 -0.67 0.07 0.00 0.36 0.00 0.00 54.97 54.74 1mr9 s GLU 31 Cb -0.17 -2.65 -0.04 0.00 0.26 0.00 0.00 34.13 31.53 1mr9 s GLU 31 CO -0.03 0.23 -0.16 0.08 -0.54 0.00 0.00 175.26 174.83 1mr9 s VAL 32 N 0.32 1.60 -0.10 3.70 1.01 -1.26 -2.12 120.40 123.56 1mr9 s VAL 32 Ca -0.10 -1.84 -0.04 0.00 0.00 0.00 0.00 61.98 60.00 1mr9 s VAL 32 Cb -0.16 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 1mr9 s VAL 32 CO 0.05 -0.37 0.08 -0.83 0.00 0.00 0.00 175.10 174.03 1mr9 s GLY 33 N -2.59 2.01 0.51 4.51 0.00 -0.53 -4.91 107.32 106.32 1mr9 s GLY 33 Ca 0.13 -0.72 -0.21 0.00 0.00 0.00 0.00 44.72 43.91 1mr9 s GLY 33 CO 0.05 -0.48 0.96 -1.84 0.00 0.00 0.00 173.10 171.78 1mr9 n GLU 34 N 2.02 1.12 0.00 2.90 0.00 -1.26 -3.20 120.64 122.22 1mr9 n GLU 34 Ca -0.19 0.41 0.00 0.00 0.00 0.00 0.00 57.16 57.38 1mr9 n GLU 34 Cb 0.54 -2.08 0.00 0.00 0.00 0.00 0.00 31.44 29.91 1mr9 n GLU 34 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1mr9 n TYR 35 N -1.08 0.00 -2.33 -1.84 4.02 -1.26 -2.90 117.16 111.77 1mr9 n TYR 35 Ca 0.11 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.58 1mr9 n TYR 35 Cb 0.43 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.72 1mr9 n TYR 35 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1mr9 s SER 36 N -1.41 6.95 0.27 7.72 0.01 -1.19 -4.49 113.70 121.55 1mr9 s SER 36 Ca 0.00 2.01 0.11 0.00 1.31 0.00 0.00 55.95 59.38 1mr9 s SER 36 Cb 0.00 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.62 1mr9 s SER 36 CO 0.00 -0.64 -0.14 -0.72 0.41 0.00 0.00 173.24 172.15 1mr9 s TYR 37 N 2.10 2.42 0.07 2.43 -0.00 0.46 -1.81 117.35 123.02 1mr9 s TYR 37 Ca 0.60 -0.30 0.08 0.00 -0.00 0.00 0.00 57.07 57.46 1mr9 s TYR 37 Cb -0.29 -1.06 -0.04 0.00 -0.00 0.00 0.00 41.96 40.57 1mr9 s TYR 37 CO 0.25 0.68 -0.18 -0.47 -0.00 0.00 0.00 175.55 175.83 1mr9 s TYR 38 N -2.39 2.55 -0.23 -3.49 5.04 0.15 -0.94 117.35 118.04 1mr9 s TYR 38 Ca 0.30 -0.26 -0.01 0.00 -2.44 0.00 0.00 57.07 54.65 1mr9 s TYR 38 Cb -0.06 -1.41 0.02 0.00 0.35 0.00 0.00 41.96 40.86 1mr9 s TYR 38 CO 0.16 0.31 -0.09 0.34 -1.34 0.00 0.00 175.55 174.94 1mr9 s ASP 39 N -1.75 4.08 0.19 4.32 2.15 -0.28 -0.89 116.67 124.50 1mr9 s ASP 39 Ca 0.16 -0.74 -0.30 0.00 0.43 0.00 0.00 52.55 52.10 1mr9 s ASP 39 Cb -0.11 -1.64 -0.08 0.00 -0.30 0.00 0.00 42.92 40.79 1mr9 s ASP 39 CO 0.07 -0.08 1.25 -0.55 -0.17 0.00 0.00 175.17 175.69 1mr9 s SER 40 N 1.35 7.00 0.07 -0.34 0.15 -0.23 -2.60 113.70 119.09 1mr9 s SER 40 Ca 0.02 2.31 -0.07 0.00 0.70 0.00 0.00 55.95 58.91 1mr9 s SER 40 Cb -0.15 -2.61 -0.28 0.00 -1.71 0.00 0.00 66.02 61.26 1mr9 s SER 40 CO -0.06 -0.44 1.12 0.50 1.20 0.00 0.00 173.24 175.56 1mr9 h LYS 41 N 5.27 0.36 0.00 5.44 3.64 -1.91 -3.40 116.57 125.97 1mr9 h LYS 41 Ca -0.45 -0.59 0.00 0.00 -1.27 0.00 0.00 60.65 58.35 1mr9 h LYS 41 Cb 1.21 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 1mr9 h LYS 41 CO 0.75 1.27 0.00 0.09 -2.27 0.00 0.00 179.45 179.29 1mr9 n ASN 42 N -3.61 0.13 0.00 4.20 3.02 -1.26 -4.99 115.26 112.75 1mr9 n ASN 42 Ca -0.10 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.42 1mr9 n ASN 42 Cb 1.02 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.19 1mr9 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mr9 n GLY 43 N -0.01 0.76 3.67 7.41 0.00 -1.26 -5.08 105.19 110.67 1mr9 n GLY 43 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1mr9 n GLY 43 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1mr9 n GLU 44 N -1.28 1.10 -3.28 1.61 0.00 -1.26 -5.01 120.64 112.52 1mr9 n GLU 44 Ca 0.00 0.42 -0.28 0.00 0.00 0.00 0.00 57.16 57.30 1mr9 n GLU 44 Cb 0.00 -2.33 -0.03 0.00 0.00 0.00 0.00 31.44 29.08 1mr9 n GLU 44 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 1mr9 s THR 45 N -1.43 5.00 0.35 3.84 -4.23 -1.26 -4.74 115.64 113.17 1mr9 s THR 45 Ca 0.76 0.09 0.02 0.00 -1.18 0.00 0.00 61.69 61.38 1mr9 s THR 45 Cb -0.41 -3.74 0.27 0.00 1.34 0.00 0.00 72.50 69.95 1mr9 s THR 45 CO 0.46 -0.36 2.00 0.15 -0.54 0.00 0.00 174.62 176.33 1mr9 h PHE 46 N 1.58 0.82 -0.88 3.99 3.57 -1.96 -2.18 116.94 121.88 1mr9 h PHE 46 Ca -0.48 0.02 0.23 0.00 3.53 0.00 0.00 57.97 61.28 1mr9 h PHE 46 Cb 1.19 -0.28 -0.14 0.00 2.79 0.00 0.00 35.95 39.51 1mr9 h PHE 46 CO 0.58 0.51 0.23 0.38 -2.23 0.00 0.00 178.31 177.78 1mr9 h ASP 47 N 0.88 -0.01 0.12 0.41 2.03 -1.94 1.34 116.42 119.26 1mr9 h ASP 47 Ca 0.25 0.20 0.00 0.00 -0.73 0.00 0.00 57.03 56.74 1mr9 h ASP 47 Cb -0.08 0.27 0.00 0.00 -0.83 0.00 0.00 39.33 38.69 1mr9 h ASP 47 CO -0.06 -0.16 0.00 0.29 -1.03 0.00 0.00 179.24 178.29 1mr9 n LYS 48 N -5.23 0.06 0.00 4.15 4.01 -0.82 -2.16 118.16 118.18 1mr9 n LYS 48 Ca 0.21 0.27 0.10 0.00 -0.51 0.00 0.00 58.31 58.38 1mr9 n LYS 48 Cb 0.68 -1.50 -0.11 0.00 -0.51 0.00 0.00 35.03 33.59 1mr9 n LYS 48 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1mr9 n GLN 49 N -1.34 0.28 -2.97 1.97 1.13 0.46 -4.78 117.38 112.13 1mr9 n GLN 49 Ca 0.02 -0.03 -0.40 0.00 -1.94 0.00 0.00 57.00 54.65 1mr9 n GLN 49 Cb 0.05 -1.46 -0.04 0.00 0.11 0.00 0.00 30.24 28.89 1mr9 n GLN 49 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1mr9 s ILE 50 N -2.91 4.92 0.04 5.09 1.01 -0.92 -2.36 121.20 126.07 1mr9 s ILE 50 Ca 0.08 1.60 0.03 0.00 0.00 0.00 0.00 60.65 62.37 1mr9 s ILE 50 Cb 0.15 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 1mr9 s ILE 50 CO 0.83 0.27 -0.10 -0.76 0.00 0.00 0.00 174.94 175.18 1mr9 s LEU 51 N 0.56 2.19 -1.17 2.97 1.43 -0.95 -4.83 118.68 118.88 1mr9 s LEU 51 Ca 0.40 -0.46 -0.20 0.00 -1.03 0.00 0.00 54.13 52.85 1mr9 s LEU 51 Cb -0.19 -0.35 -0.00 0.00 0.03 0.00 0.00 46.19 45.68 1mr9 s LEU 51 CO 0.21 -0.08 0.75 -1.22 0.23 0.00 0.00 176.35 176.24 1mr9 n TYR 52 N 1.81 -1.84 -3.75 0.29 4.02 -1.26 -4.56 117.16 111.87 1mr9 n TYR 52 Ca -0.20 0.45 -0.30 0.00 -0.01 0.00 0.00 57.90 57.84 1mr9 n TYR 52 Cb 0.55 -3.42 -0.13 0.00 -0.02 0.00 0.00 39.34 36.32 1mr9 n TYR 52 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1mr9 s HIS 53 N -3.52 2.15 -0.19 -0.72 2.46 -1.26 -0.54 115.29 113.68 1mr9 s HIS 53 Ca 0.43 -2.44 -0.03 0.00 0.47 0.00 0.00 55.06 53.49 1mr9 s HIS 53 Cb -0.16 -2.01 -0.01 0.00 -0.13 0.00 0.00 32.58 30.27 1mr9 s HIS 53 CO 0.87 -0.80 -0.07 0.71 -2.47 0.00 0.00 174.74 172.98 1mr9 s TYR 54 N 0.49 2.92 0.53 3.88 2.02 -1.26 -4.99 117.35 120.94 1mr9 s TYR 54 Ca 0.16 -0.81 0.33 0.00 -0.37 0.00 0.00 57.07 56.38 1mr9 s TYR 54 Cb -0.23 -2.01 1.48 0.00 -0.40 0.00 0.00 41.96 40.79 1mr9 s TYR 54 CO -0.03 -0.41 1.84 -1.35 -1.57 0.00 0.00 175.55 174.03 1mr9 h PRO 55 N 7.57 0.04 0.00 -1.71 0.11 -1.94 0.12 132.00 136.19 1mr9 h PRO 55 Ca -0.36 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1mr9 h PRO 55 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1mr9 h PRO 55 CO 0.60 0.02 0.00 1.51 -0.21 0.00 0.00 178.00 179.92 1mr9 n ILE 56 N -4.26 0.02 0.56 4.15 0.13 -1.26 -2.07 119.36 116.63 1mr9 n ILE 56 Ca 0.22 0.01 0.06 0.00 -1.10 0.00 0.00 62.75 61.93 1mr9 n ILE 56 Cb 1.08 -0.63 -0.06 0.00 -0.84 0.00 0.00 39.64 39.18 1mr9 n ILE 56 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 1mr9 n LEU 57 N -1.02 0.60 -0.00 9.51 4.77 0.42 -5.01 117.00 126.27 1mr9 n LEU 57 Ca 0.17 -0.51 -0.00 0.00 -0.03 0.00 0.00 56.01 55.64 1mr9 n LEU 57 Cb 0.09 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1mr9 n LEU 57 CO 0.14 0.15 -0.00 -0.46 -1.33 0.00 0.00 177.39 175.88 1mr9 n ASN 58 N -1.23 -4.84 -4.81 -1.43 2.04 -0.88 -4.97 115.26 99.13 1mr9 n ASN 58 Ca 0.02 0.00 -0.34 0.00 -0.44 0.00 0.00 54.58 53.82 1mr9 n ASN 58 Cb 0.19 -2.34 -0.07 0.00 -2.53 0.00 0.00 39.78 35.03 1mr9 n ASN 58 CO 0.00 0.00 0.00 1.51 -0.44 0.00 0.00 177.26 178.33 1mr9 s ASP 59 N -2.00 7.01 0.03 0.53 -4.77 -1.26 -5.03 116.67 111.18 1mr9 s ASP 59 Ca 0.00 1.66 0.08 0.00 -3.30 0.00 0.00 52.55 50.98 1mr9 s ASP 59 Cb 0.00 -2.52 -0.03 0.00 -1.09 0.00 0.00 42.92 39.28 1mr9 s ASP 59 CO 0.00 -0.26 -0.22 -0.54 0.70 0.00 0.00 175.17 174.85 1mr9 s LYS 60 N -2.85 2.00 -0.33 2.11 3.01 -1.26 -4.93 119.74 117.49 1mr9 s LYS 60 Ca 0.58 -1.01 -0.07 0.00 -1.01 0.00 0.00 55.97 54.46 1mr9 s LYS 60 Cb -0.12 -2.11 0.03 0.00 -1.01 0.00 0.00 37.83 34.63 1mr9 s LYS 60 CO 0.16 0.54 0.11 -1.17 0.51 0.00 0.00 175.35 175.50 1mr9 s LEU 61 N -1.24 4.25 -0.22 3.17 2.96 -0.12 -0.54 118.68 126.93 1mr9 s LEU 61 Ca 0.13 -1.00 -0.05 0.00 -0.22 0.00 0.00 54.13 52.99 1mr9 s LEU 61 Cb -0.10 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.67 1mr9 s LEU 61 CO 0.03 -0.30 0.00 -0.75 -1.32 0.00 0.00 176.35 174.02 1mr9 s LYS 62 N 1.45 3.53 -0.08 1.98 2.20 -0.22 -1.75 119.74 126.85 1mr9 s LYS 62 Ca 0.00 -0.55 0.03 0.00 -0.36 0.00 0.00 55.97 55.09 1mr9 s LYS 62 Cb -0.19 -3.12 0.01 0.00 -1.51 0.00 0.00 37.83 33.02 1mr9 s LYS 62 CO 0.03 -0.13 -0.18 0.42 -0.36 0.00 0.00 175.35 175.13 1mr9 s ILE 63 N 1.36 1.59 0.00 5.43 1.01 -0.90 0.63 121.20 130.33 1mr9 s ILE 63 Ca 0.05 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.95 1mr9 s ILE 63 Cb -0.15 -1.41 0.00 0.00 0.01 0.00 0.00 42.46 40.92 1mr9 s ILE 63 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 174.94 176.01 1mr9 n GLY 64 N 3.67 0.49 3.63 6.18 0.00 0.16 -1.45 105.19 117.88 1mr9 n GLY 64 Ca -0.21 -1.43 -0.32 0.00 0.00 0.00 0.00 46.02 44.06 1mr9 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mr9 s LYS 65 N 0.00 2.56 -0.89 1.61 1.02 -1.26 -2.13 119.74 120.65 1mr9 s LYS 65 Ca 0.00 -0.75 -0.06 0.00 0.02 0.00 0.00 55.97 55.17 1mr9 s LYS 65 Cb 0.00 -2.53 -0.00 0.00 -0.52 0.00 0.00 37.83 34.78 1mr9 s LYS 65 CO 0.00 0.58 0.69 1.19 -0.92 0.00 0.00 175.35 176.89 1mr9 n PHE 66 N 1.21 -2.28 -4.77 3.18 3.72 -1.14 -1.14 117.46 116.23 1mr9 n PHE 66 Ca -0.14 0.81 -0.32 0.00 -0.05 0.00 0.00 57.45 57.75 1mr9 n PHE 66 Cb 0.52 -3.36 -0.12 0.00 -0.94 0.00 0.00 39.48 35.58 1mr9 n PHE 66 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mr9 s SER 68 N -1.00 5.36 -0.12 0.00 0.01 -0.60 -0.40 113.70 116.96 1mr9 s SER 68 Ca 0.13 -0.57 0.02 0.00 1.31 0.00 0.00 55.95 56.84 1mr9 s SER 68 Cb -0.11 -1.95 -0.01 0.00 0.21 0.00 0.00 66.02 64.17 1mr9 s SER 68 CO 0.03 -0.18 -0.19 -0.63 0.41 0.00 0.00 173.24 172.68 1mr9 s ILE 69 N 1.57 2.53 0.61 1.44 1.01 -0.12 -1.34 121.20 126.90 1mr9 s ILE 69 Ca 0.04 -0.85 0.08 0.00 0.00 0.00 0.00 60.65 59.92 1mr9 s ILE 69 Cb -0.17 -2.02 0.10 0.00 0.01 0.00 0.00 42.46 40.38 1mr9 s ILE 69 CO 0.05 0.54 0.84 -0.83 0.00 0.00 0.00 174.94 175.53 1mr9 s GLY 70 N 0.42 1.73 0.33 6.18 0.00 -0.97 -1.13 107.32 113.88 1mr9 s GLY 70 Ca -0.14 -2.10 -0.28 0.00 0.00 0.00 0.00 44.72 42.21 1mr9 s GLY 70 CO 0.06 -1.60 1.20 2.56 0.00 0.00 0.00 173.10 175.31 1mr9 s PRO 71 N -4.77 4.36 0.00 2.90 0.04 -1.07 -2.97 135.00 133.49 1mr9 s PRO 71 Ca 0.63 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.63 1mr9 s PRO 71 Cb -0.05 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.49 1mr9 s PRO 71 CO 0.40 -0.09 0.00 0.41 0.04 0.00 0.00 177.00 177.76 1mr9 n GLY 72 N 0.88 1.92 3.66 0.56 0.00 -1.26 0.11 105.19 111.05 1mr9 n GLY 72 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1mr9 n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mr9 s VAL 73 N -2.61 3.07 -0.06 1.61 1.01 -1.16 -3.84 120.40 118.42 1mr9 s VAL 73 Ca 0.00 0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.12 1mr9 s VAL 73 Cb 0.00 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.31 1mr9 s VAL 73 CO 0.00 -0.01 -0.25 0.42 0.00 0.00 0.00 175.10 175.26 1mr9 s THR 74 N 4.74 2.08 -0.18 3.92 -4.23 0.50 -4.89 115.64 117.57 1mr9 s THR 74 Ca 0.88 -1.06 -0.07 0.00 -1.18 0.00 0.00 61.69 60.26 1mr9 s THR 74 Cb -0.41 -1.75 -0.04 0.00 1.34 0.00 0.00 72.50 71.64 1mr9 s THR 74 CO 0.40 0.57 0.05 -0.63 -0.54 0.00 0.00 174.62 174.47 1mr9 s ILE 75 N -0.13 4.68 0.11 2.99 1.01 -1.00 -1.53 121.20 127.34 1mr9 s ILE 75 Ca -0.05 -0.07 0.05 0.00 0.00 0.00 0.00 60.65 60.58 1mr9 s ILE 75 Cb -0.14 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 1mr9 s ILE 75 CO 0.04 0.46 0.02 -0.63 0.00 0.00 0.00 174.94 174.83 1mr9 s ILE 76 N 0.42 4.03 -0.06 2.92 -1.09 0.42 -2.23 121.20 125.61 1mr9 s ILE 76 Ca 0.02 -1.07 0.13 0.00 -2.23 0.00 0.00 60.65 57.51 1mr9 s ILE 76 Cb -0.13 -2.96 -0.13 0.00 -1.58 0.00 0.00 42.46 37.67 1mr9 s ILE 76 CO 0.01 0.05 1.01 0.78 -1.23 0.00 0.00 174.94 175.56 1mr9 h ASN 78 N 3.18 0.00 0.00 3.58 2.35 -1.81 -2.43 115.58 120.45 1mr9 h ASN 78 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 1mr9 h ASN 78 Cb 1.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.55 1mr9 h ASN 78 CO 0.60 0.75 0.21 0.61 -1.65 0.00 0.00 177.43 177.95 1mr9 n GLY 79 N 1.39 -0.35 0.15 2.83 0.00 0.30 -2.38 105.19 107.12 1mr9 n GLY 79 Ca -0.07 0.02 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 1mr9 n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mr9 h ALA 80 N 1.20 0.88 -2.80 4.61 0.00 -1.89 -3.46 119.26 117.79 1mr9 h ALA 80 Ca 0.00 -0.58 -0.50 0.00 0.00 0.00 0.00 54.91 53.83 1mr9 h ALA 80 Cb 0.43 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.14 1mr9 h ALA 80 CO 0.00 0.78 0.48 -0.80 0.00 0.00 0.00 179.25 179.71 1mr9 s ASN 81 N -6.87 7.27 0.31 0.00 0.01 -1.00 -5.02 114.94 109.63 1mr9 s ASN 81 Ca -0.02 2.27 -0.24 0.00 -0.71 0.00 0.00 52.86 54.15 1mr9 s ASN 81 Cb 0.12 -2.63 -0.10 0.00 0.41 0.00 0.00 41.25 39.06 1mr9 s ASN 81 CO 0.78 -0.14 0.90 -1.00 -1.51 0.00 0.00 177.10 176.13 1mr9 s HIS 82 N -1.15 3.66 1.23 2.20 3.76 -1.26 -4.91 115.29 118.82 1mr9 s HIS 82 Ca 0.44 1.69 -0.18 0.00 -0.15 0.00 0.00 55.06 56.87 1mr9 s HIS 82 Cb -0.32 -2.86 0.26 0.00 1.11 0.00 0.00 32.58 30.77 1mr9 s HIS 82 CO 0.41 0.21 0.62 -2.13 -0.85 0.00 0.00 174.74 173.01 1mr9 n ARG 83 N 0.51 -3.00 0.00 1.40 0.63 -1.26 -4.90 116.66 110.04 1mr9 n ARG 83 Ca 0.01 -0.87 0.00 0.00 -0.92 0.00 0.00 57.85 56.07 1mr9 n ARG 83 Cb 0.51 -1.87 0.00 0.00 0.45 0.00 0.00 32.46 31.54 1mr9 n ARG 83 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1mr9 n ASP 85 N -3.88 0.00 0.00 6.15 5.75 -1.26 -4.11 116.55 119.20 1mr9 n ASP 85 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.83 1mr9 n ASP 85 Cb 0.55 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 1mr9 n ASP 85 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mr9 n GLY 86 N -0.49 5.47 3.63 6.12 0.00 -1.26 -5.11 105.19 113.56 1mr9 n GLY 86 Ca 0.00 -1.19 -0.40 0.00 0.00 0.00 0.00 46.02 44.43 1mr9 n GLY 86 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1mr9 n SER 87 N 0.00 1.42 -1.65 1.61 2.88 -1.26 -4.91 113.62 111.71 1mr9 n SER 87 Ca 0.00 0.98 0.09 0.00 -1.33 0.00 0.00 58.87 58.61 1mr9 n SER 87 Cb 0.00 -1.40 0.37 0.00 -0.75 0.00 0.00 64.21 62.43 1mr9 n SER 87 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1mr9 n THR 88 N -0.79 2.04 -3.20 2.46 -2.24 -1.26 -4.86 114.28 106.44 1mr9 n THR 88 Ca 0.10 -1.25 -0.40 0.00 -2.27 0.00 0.00 64.05 60.23 1mr9 n THR 88 Cb 0.42 0.04 -0.07 0.00 -2.10 0.00 0.00 70.33 68.62 1mr9 n THR 88 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1mr9 s TYR 89 N -2.05 3.31 -1.37 4.78 6.14 -1.26 -4.70 117.35 122.21 1mr9 s TYR 89 Ca 0.52 0.74 -0.13 0.00 0.64 0.00 0.00 57.07 58.84 1mr9 s TYR 89 Cb 0.35 -2.74 -0.03 0.00 0.42 0.00 0.00 41.96 39.96 1mr9 s TYR 89 CO 0.23 -0.23 2.40 -0.35 0.64 0.00 0.00 175.55 178.24 1mr9 n PRO 90 N 5.31 2.85 -0.65 4.97 -0.04 -1.26 -4.79 135.00 141.40 1mr9 n PRO 90 Ca -0.03 -2.27 0.50 0.00 -0.04 0.00 0.00 63.50 61.66 1mr9 n PRO 90 Cb 0.50 -3.02 0.80 0.00 -0.04 0.00 0.00 33.50 31.74 1mr9 n PRO 90 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1mr9 h PHE 91 N 5.99 0.06 -0.00 0.54 -1.00 -1.91 -0.51 116.94 120.11 1mr9 h PHE 91 Ca 0.63 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.42 1mr9 h PHE 91 Cb 0.49 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.04 1mr9 h PHE 91 CO 1.60 -0.03 -0.01 0.27 -1.61 0.00 0.00 178.31 178.54 1mr9 n ASN 92 N -4.05 0.01 -0.11 2.17 6.94 -1.26 -3.11 115.26 115.85 1mr9 n ASN 92 Ca 0.42 0.38 -0.02 0.00 -0.02 0.00 0.00 54.58 55.34 1mr9 n ASN 92 Cb 1.90 -0.45 0.21 0.00 -2.36 0.00 0.00 39.78 39.08 1mr9 n ASN 92 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1mr9 h LEU 93 N 0.00 0.72 -1.25 -4.53 3.38 -1.41 -3.32 115.31 108.91 1mr9 h LEU 93 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1mr9 h LEU 93 Cb 0.46 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1mr9 h LEU 93 CO 0.00 0.71 -0.33 0.49 0.09 0.00 0.00 178.44 179.41 1mr9 n PHE 94 N -4.28 0.00 -3.30 1.13 3.01 -1.18 -5.03 117.46 107.80 1mr9 n PHE 94 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 1mr9 n PHE 94 Cb 0.22 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 1mr9 n PHE 94 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mr9 n GLY 95 N 1.40 0.93 3.70 1.37 0.00 -1.25 -4.92 105.19 106.42 1mr9 n GLY 95 Ca 0.11 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 45.18 1mr9 n GLY 95 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1mr9 n ASN 96 N -3.34 -3.94 0.00 1.61 0.23 -1.26 -2.86 115.26 105.71 1mr9 n ASN 96 Ca 0.00 -0.97 0.00 0.00 -0.53 0.00 0.00 54.58 53.08 1mr9 n ASN 96 Cb 0.00 -3.55 0.00 0.00 -2.08 0.00 0.00 39.78 34.15 1mr9 n ASN 96 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1mr9 n GLY 97 N -1.69 3.11 0.27 4.83 0.00 -1.26 -4.82 105.19 105.63 1mr9 n GLY 97 Ca -0.16 -0.82 0.16 0.00 0.00 0.00 0.00 46.02 45.19 1mr9 n GLY 97 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1mr9 h TRP 98 N 0.00 0.00 -0.03 1.61 6.55 -1.82 -3.04 115.95 119.22 1mr9 h TRP 98 Ca 0.00 0.00 0.01 0.00 0.95 0.00 0.00 58.89 59.85 1mr9 h TRP 98 Cb 0.00 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.30 1mr9 h TRP 98 CO 0.00 0.05 0.10 1.05 -1.05 0.00 0.00 178.44 178.59 1mr9 h GLU 99 N 0.00 0.00 0.00 0.49 9.09 -1.78 -1.76 114.58 120.63 1mr9 h GLU 99 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1mr9 h GLU 99 Cb 0.53 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.63 1mr9 h GLU 99 CO 0.01 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.70 1mr9 n LYS 100 N -3.24 0.66 -3.93 1.06 5.02 -1.15 -4.88 118.16 111.70 1mr9 n LYS 100 Ca -0.02 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.93 1mr9 n LYS 100 Cb 0.18 -1.25 -0.14 0.00 -0.02 0.00 0.00 35.03 33.80 1mr9 n LYS 100 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1mr9 s HIS 101 N -2.00 3.47 -0.21 2.13 3.76 -0.66 -5.13 115.29 116.65 1mr9 s HIS 101 Ca 0.16 -2.35 -0.04 0.00 -0.15 0.00 0.00 55.06 52.68 1mr9 s HIS 101 Cb 0.07 -2.56 -0.01 0.00 1.11 0.00 0.00 32.58 31.19 1mr9 s HIS 101 CO 0.12 -0.89 -0.04 -1.25 -0.85 0.00 0.00 174.74 171.82 1mr9 s PRO 103 N 1.12 3.43 0.10 8.40 0.04 -1.26 -4.71 135.00 142.11 1mr9 s PRO 103 Ca 0.01 -0.61 -0.31 0.00 0.04 0.00 0.00 61.00 60.14 1mr9 s PRO 103 Cb -0.20 -2.98 -0.07 0.00 0.04 0.00 0.00 34.50 31.28 1mr9 s PRO 103 CO -0.04 -0.11 1.31 -1.59 0.04 0.00 0.00 177.00 176.61 1mr9 s LYS 104 N 1.26 4.37 0.00 4.56 -2.85 -1.26 -4.92 119.74 120.90 1mr9 s LYS 104 Ca 0.03 1.95 0.00 0.00 -1.00 0.00 0.00 55.97 56.95 1mr9 s LYS 104 Cb -0.14 -3.29 0.00 0.00 -2.06 0.00 0.00 37.83 32.34 1mr9 s LYS 104 CO -0.01 -0.35 0.01 1.28 0.10 0.00 0.00 175.35 176.38 1mr9 n LEU 105 N 3.87 0.00 -0.32 2.77 4.77 -1.26 -1.05 117.00 125.78 1mr9 n LEU 105 Ca 0.10 0.01 0.26 0.00 -0.03 0.00 0.00 56.01 56.35 1mr9 n LEU 105 Cb 0.44 -0.00 0.48 0.00 -2.33 0.00 0.00 43.42 42.00 1mr9 n LEU 105 CO 0.57 -0.00 0.94 -0.90 -1.33 0.00 0.00 177.39 176.67 1mr9 n ASP 106 N -1.08 0.19 -0.58 -1.43 5.68 -1.26 0.41 116.55 118.48 1mr9 n ASP 106 Ca 0.00 1.62 0.00 0.00 -0.50 0.00 0.00 54.79 55.91 1mr9 n ASP 106 Cb 0.00 -0.72 0.00 0.00 -1.14 0.00 0.00 41.12 39.26 1mr9 n ASP 106 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1mr9 n GLN 107 N -5.27 0.79 -3.97 0.11 10.64 -0.22 -4.69 117.38 114.77 1mr9 n GLN 107 Ca 0.32 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 55.19 1mr9 n GLN 107 Cb 1.08 -1.35 -0.05 0.00 -0.86 0.00 0.00 30.24 29.07 1mr9 n GLN 107 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1mr9 s LEU 108 N 0.00 4.18 0.36 2.61 1.43 1.34 -4.84 118.68 123.77 1mr9 s LEU 108 Ca 0.00 0.16 -0.27 0.00 -1.03 0.00 0.00 54.13 52.99 1mr9 s LEU 108 Cb 0.00 -2.80 -0.12 0.00 0.03 0.00 0.00 46.19 43.30 1mr9 s LEU 108 CO 0.00 0.14 1.20 -2.65 0.23 0.00 0.00 176.35 175.27 1mr9 n PRO 109 N 0.14 1.85 -3.60 1.29 -0.02 -1.26 -5.01 135.00 128.40 1mr9 n PRO 109 Ca -0.06 0.65 -0.26 0.00 -2.02 0.00 0.00 63.50 61.81 1mr9 n PRO 109 Cb 0.52 -2.22 -0.17 0.00 -0.02 0.00 0.00 33.50 31.61 1mr9 n PRO 109 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1mr9 s ILE 110 N -1.13 -0.09 -1.69 4.25 1.10 -1.26 -5.00 121.20 117.37 1mr9 s ILE 110 Ca 0.58 -0.23 0.18 0.00 -0.51 0.00 0.00 60.65 60.66 1mr9 s ILE 110 Cb -0.58 -0.62 0.02 0.00 0.15 0.00 0.00 42.46 41.43 1mr9 s ILE 110 CO 0.60 -0.33 0.93 2.29 -2.11 0.00 0.00 174.94 176.32 1mr9 n LYS 111 N 5.28 1.58 0.00 3.50 2.85 -1.26 -5.08 118.16 125.03 1mr9 n LYS 111 Ca -0.07 -0.96 0.00 0.00 -1.05 0.00 0.00 58.31 56.23 1mr9 n LYS 111 Cb 0.48 -1.32 0.00 0.00 -0.65 0.00 0.00 35.03 33.54 1mr9 n LYS 111 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1mr9 n GLY 112 N 1.18 0.53 3.99 2.58 0.00 -1.26 -4.30 105.19 107.91 1mr9 n GLY 112 Ca 0.08 -2.24 -0.19 0.00 0.00 0.00 0.00 46.02 43.67 1mr9 n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mr9 s ASP 113 N -4.00 5.81 -0.20 1.61 1.01 -1.26 -4.48 116.67 115.16 1mr9 s ASP 113 Ca 0.00 -0.22 0.01 0.00 0.71 0.00 0.00 52.55 53.05 1mr9 s ASP 113 Cb 0.00 -1.03 0.04 0.00 1.01 0.00 0.00 42.92 42.93 1mr9 s ASP 113 CO 0.00 -0.61 -0.13 -0.89 0.21 0.00 0.00 175.17 173.75 1mr9 s THR 114 N -2.30 1.80 -0.26 -1.27 2.01 0.29 -4.25 115.64 111.67 1mr9 s THR 114 Ca 0.49 -1.04 0.03 0.00 0.31 0.00 0.00 61.69 61.49 1mr9 s THR 114 Cb -0.10 -1.80 0.06 0.00 0.01 0.00 0.00 72.50 70.67 1mr9 s THR 114 CO 0.33 0.26 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.78 1mr9 s ILE 115 N 1.34 2.21 -0.26 1.82 -1.09 -0.92 -1.05 121.20 123.25 1mr9 s ILE 115 Ca -0.00 -1.63 -0.09 0.00 -2.23 0.00 0.00 60.65 56.70 1mr9 s ILE 115 Cb -0.16 -2.30 -0.04 0.00 -1.58 0.00 0.00 42.46 38.38 1mr9 s ILE 115 CO -0.09 -0.04 0.12 -0.63 -1.23 0.00 0.00 174.94 173.07 1mr9 s ILE 116 N 1.11 4.77 0.00 2.92 1.01 0.21 0.28 121.20 131.49 1mr9 s ILE 116 Ca -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.55 1mr9 s ILE 116 Cb -0.20 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.03 1mr9 s ILE 116 CO -0.05 0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.81 1mr9 n GLY 117 N 4.88 0.27 3.89 6.18 0.00 -0.82 0.36 105.19 119.95 1mr9 n GLY 117 Ca -0.15 -1.48 -0.31 0.00 0.00 0.00 0.00 46.02 44.07 1mr9 n GLY 117 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mr9 s ASN 118 N -1.08 6.21 -1.14 1.61 -0.87 -1.26 -2.11 114.94 116.29 1mr9 s ASN 118 Ca 0.00 0.24 -0.09 0.00 -1.57 0.00 0.00 52.86 51.43 1mr9 s ASN 118 Cb 0.00 -1.88 -0.03 0.00 -0.02 0.00 0.00 41.25 39.32 1mr9 s ASN 118 CO 0.00 0.19 0.84 -0.67 -2.57 0.00 0.00 177.10 174.89 1mr9 n ASP 119 N 0.47 -4.76 -4.25 -1.22 4.64 0.16 0.39 116.55 111.98 1mr9 n ASP 119 Ca -0.07 -0.83 -0.33 0.00 -1.38 0.00 0.00 54.79 52.18 1mr9 n ASP 119 Cb 0.51 -4.36 -0.15 0.00 -1.04 0.00 0.00 41.12 36.08 1mr9 n ASP 119 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1mr9 s VAL 120 N -3.47 2.61 -0.39 5.18 1.01 -1.23 -2.51 120.40 121.59 1mr9 s VAL 120 Ca 0.34 -0.78 -0.16 0.00 0.00 0.00 0.00 61.98 61.38 1mr9 s VAL 120 Cb -0.08 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.20 1mr9 s VAL 120 CO 0.79 0.51 0.39 0.86 0.00 0.00 0.00 175.10 177.65 1mr9 s TRP 121 N 0.92 3.19 -0.31 5.22 -0.00 -0.22 -1.55 118.94 126.18 1mr9 s TRP 121 Ca -0.03 -0.30 -0.06 0.00 -0.00 0.00 0.00 56.10 55.71 1mr9 s TRP 121 Cb -0.15 -2.77 0.03 0.00 -0.00 0.00 0.00 33.47 30.58 1mr9 s TRP 121 CO -0.02 -0.59 0.08 0.42 -0.00 0.00 0.00 176.95 176.84 1mr9 s ILE 122 N 2.02 3.74 0.45 5.86 -1.09 -0.45 0.05 121.20 131.78 1mr9 s ILE 122 Ca 0.11 -0.96 -0.07 0.00 -2.23 0.00 0.00 60.65 57.50 1mr9 s ILE 122 Cb -0.17 -3.03 0.11 0.00 -1.58 0.00 0.00 42.46 37.79 1mr9 s ILE 122 CO 0.12 -0.04 0.24 0.61 -1.23 0.00 0.00 174.94 174.64 1mr9 n GLY 123 N 4.81 -2.96 3.80 6.18 0.00 -0.49 -2.29 105.19 114.24 1mr9 n GLY 123 Ca -0.14 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.56 1mr9 n GLY 123 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mr9 s LYS 124 N -3.05 4.39 -1.26 1.61 2.20 -1.26 -3.99 119.74 118.38 1mr9 s LYS 124 Ca 0.19 1.15 -0.06 0.00 -0.36 0.00 0.00 55.97 56.88 1mr9 s LYS 124 Cb -0.03 -2.62 0.01 0.00 -1.51 0.00 0.00 37.83 33.67 1mr9 s LYS 124 CO 0.16 0.21 1.09 -0.25 -0.36 0.00 0.00 175.35 176.19 1mr9 n ASP 125 N 0.20 -5.04 -4.89 1.43 8.00 0.31 -1.17 116.55 115.39 1mr9 n ASP 125 Ca 0.03 -0.54 -0.34 0.00 0.71 0.00 0.00 54.79 54.65 1mr9 n ASP 125 Cb 0.51 -4.87 -0.05 0.00 -0.02 0.00 0.00 41.12 36.69 1mr9 n ASP 125 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1mr9 s VAL 126 N -3.32 5.41 -0.23 2.53 1.01 -1.25 -3.56 120.40 120.99 1mr9 s VAL 126 Ca 0.41 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.28 1mr9 s VAL 126 Cb -0.18 -3.50 0.05 0.00 0.00 0.00 0.00 36.38 32.75 1mr9 s VAL 126 CO 0.70 0.37 -0.11 -0.69 0.00 0.00 0.00 175.10 175.37 1mr9 s VAL 127 N -1.27 1.91 0.77 2.92 1.01 -0.83 -0.37 120.40 124.54 1mr9 s VAL 127 Ca 0.25 -1.34 -0.03 0.00 0.00 0.00 0.00 61.98 60.86 1mr9 s VAL 127 Cb -0.12 -2.01 0.14 0.00 0.00 0.00 0.00 36.38 34.39 1mr9 s VAL 127 CO 0.16 0.06 1.06 -0.63 0.00 0.00 0.00 175.10 175.75 1mr9 s ILE 128 N 1.25 2.09 0.17 2.22 -1.09 -0.58 -1.26 121.20 123.98 1mr9 s ILE 128 Ca -0.05 -0.49 -0.16 0.00 -2.23 0.00 0.00 60.65 57.72 1mr9 s ILE 128 Cb -0.18 -2.59 -0.07 0.00 -1.58 0.00 0.00 42.46 38.03 1mr9 s ILE 128 CO -0.07 0.00 0.60 -2.84 -1.23 0.00 0.00 174.94 171.40 1mr9 s PRO 130 N -5.29 4.06 0.00 2.79 0.02 -0.91 -0.44 135.00 135.24 1mr9 s PRO 130 Ca 0.68 0.61 0.00 0.00 0.02 0.00 0.00 61.00 62.31 1mr9 s PRO 130 Cb -0.05 -2.93 0.00 0.00 0.02 0.00 0.00 34.50 31.55 1mr9 s PRO 130 CO 0.46 0.46 0.00 0.41 -0.33 0.00 0.00 177.00 178.00 1mr9 n GLY 131 N 0.81 2.94 3.78 0.52 0.00 -1.26 -4.94 105.19 107.05 1mr9 n GLY 131 Ca -0.05 -0.55 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 1mr9 n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mr9 s VAL 132 N -1.62 3.36 -0.09 1.61 -7.23 -1.26 -4.50 120.40 110.67 1mr9 s VAL 132 Ca 0.00 0.97 0.04 0.00 -1.81 0.00 0.00 61.98 61.19 1mr9 s VAL 132 Cb 0.00 -3.47 -0.00 0.00 0.56 0.00 0.00 36.38 33.47 1mr9 s VAL 132 CO 0.00 -0.06 -0.24 -0.54 -0.31 0.00 0.00 175.10 173.95 1mr9 s LYS 133 N -2.82 2.95 -0.16 4.82 1.02 -1.26 -2.17 119.74 122.12 1mr9 s LYS 133 Ca 0.64 -0.87 -0.03 0.00 0.02 0.00 0.00 55.97 55.73 1mr9 s LYS 133 Cb -0.24 -2.26 -0.02 0.00 -0.52 0.00 0.00 37.83 34.79 1mr9 s LYS 133 CO 0.30 0.20 -0.05 0.42 -0.92 0.00 0.00 175.35 175.30 1mr9 s ILE 134 N 0.28 3.72 0.55 2.17 1.01 0.78 -2.08 121.20 127.64 1mr9 s ILE 134 Ca -0.17 -0.41 -0.19 0.00 0.00 0.00 0.00 60.65 59.87 1mr9 s ILE 134 Cb -0.17 -2.63 -0.05 0.00 0.01 0.00 0.00 42.46 39.61 1mr9 s ILE 134 CO 0.08 0.49 1.16 -0.83 0.00 0.00 0.00 174.94 175.84 1mr9 s GLY 135 N 0.48 2.68 0.24 6.18 0.00 0.23 -1.94 107.32 115.19 1mr9 s GLY 135 Ca -0.04 0.89 -0.30 0.00 0.00 0.00 0.00 44.72 45.27 1mr9 s GLY 135 CO 0.03 1.26 1.00 1.22 0.00 0.00 0.00 173.10 176.61 1mr9 n ASP 136 N -1.33 0.99 -3.83 1.64 10.43 -1.26 -2.16 116.55 121.03 1mr9 n ASP 136 Ca 0.12 1.16 -0.26 0.00 2.57 0.00 0.00 54.79 58.38 1mr9 n ASP 136 Cb 0.50 -1.22 0.02 0.00 1.84 0.00 0.00 41.12 42.26 1mr9 n ASP 136 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1mr9 n GLY 137 N 1.57 -0.37 3.95 0.44 0.00 0.16 -0.50 105.19 110.44 1mr9 n GLY 137 Ca 0.12 0.16 -0.25 0.00 0.00 0.00 0.00 46.02 46.05 1mr9 n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mr9 s ALA 138 N -3.53 3.95 -0.14 4.61 0.00 -0.92 -1.84 121.76 123.90 1mr9 s ALA 138 Ca 0.30 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 51.20 1mr9 s ALA 138 Cb -0.15 -1.76 0.01 0.00 0.00 0.00 0.00 23.12 21.22 1mr9 s ALA 138 CO 0.83 0.46 -0.21 0.42 0.00 0.00 0.00 175.76 177.25 1mr9 s ILE 139 N -1.81 2.01 -0.25 0.00 1.01 -1.26 -1.06 121.20 119.85 1mr9 s ILE 139 Ca 0.34 -0.95 -0.08 0.00 0.00 0.00 0.00 60.65 59.97 1mr9 s ILE 139 Cb -0.10 -1.78 -0.03 0.00 0.01 0.00 0.00 42.46 40.55 1mr9 s ILE 139 CO 0.29 0.54 0.08 -0.69 0.00 0.00 0.00 174.94 175.15 1mr9 s VAL 140 N 0.84 4.40 0.54 2.92 1.01 0.11 -1.51 120.40 128.71 1mr9 s VAL 140 Ca -0.07 -0.14 -0.21 0.00 0.00 0.00 0.00 61.98 61.56 1mr9 s VAL 140 Cb -0.15 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 1mr9 s VAL 140 CO -0.02 0.34 1.27 0.00 0.00 0.00 0.00 175.10 176.69 1mr9 s ALA 141 N 1.56 2.77 0.98 5.51 0.00 0.25 -1.40 121.76 131.43 1mr9 s ALA 141 Ca 0.06 1.15 -0.15 0.00 0.00 0.00 0.00 51.96 53.03 1mr9 s ALA 141 Cb -0.15 -3.49 -0.00 0.00 0.00 0.00 0.00 23.12 19.48 1mr9 s ALA 141 CO 0.04 -1.16 0.05 0.00 0.00 0.00 0.00 175.76 174.69 1mr9 n ALA 142 N -1.08 -3.48 -4.30 0.00 0.00 -1.26 -2.67 120.51 107.73 1mr9 n ALA 142 Ca 0.11 -0.73 -0.38 0.00 0.00 0.00 0.00 53.44 52.43 1mr9 n ALA 142 Cb 0.47 -1.60 -0.08 0.00 0.00 0.00 0.00 19.45 18.24 1mr9 n ALA 142 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1mr9 n ASN 143 N -0.25 -1.32 -4.93 0.00 3.02 -0.32 -4.79 115.26 106.67 1mr9 n ASN 143 Ca 0.04 -1.16 -0.25 0.00 -0.03 0.00 0.00 54.58 53.18 1mr9 n ASN 143 Cb 0.56 -1.48 -0.02 0.00 -0.61 0.00 0.00 39.78 38.24 1mr9 n ASN 143 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1mr9 s SER 144 N -3.25 6.33 -0.41 6.41 0.15 -1.09 -4.73 113.70 117.12 1mr9 s SER 144 Ca 0.66 0.51 0.03 0.00 0.70 0.00 0.00 55.95 57.85 1mr9 s SER 144 Cb -0.39 -2.06 0.12 0.00 -1.71 0.00 0.00 66.02 61.98 1mr9 s SER 144 CO 0.95 -0.26 0.17 -0.69 1.20 0.00 0.00 173.24 174.61 1mr9 s VAL 145 N -2.23 1.86 -0.29 4.45 1.01 0.49 -1.96 120.40 123.71 1mr9 s VAL 145 Ca 0.41 -2.49 -0.27 0.00 0.00 0.00 0.00 61.98 59.63 1mr9 s VAL 145 Cb -0.10 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.96 1mr9 s VAL 145 CO 0.34 -0.75 0.98 -0.69 0.00 0.00 0.00 175.10 174.98 1mr9 s VAL 146 N 0.57 4.64 0.00 2.92 1.01 -0.39 -2.19 120.40 126.96 1mr9 s VAL 146 Ca 0.14 1.65 0.00 0.00 0.00 0.00 0.00 61.98 63.77 1mr9 s VAL 146 Cb -0.22 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.86 1mr9 s VAL 146 CO -0.07 -0.33 0.00 1.33 0.00 0.00 0.00 175.10 176.04 1mr9 n VAL 147 N 5.62 0.00 -2.33 2.92 0.24 -1.26 -4.58 118.33 118.94 1mr9 n VAL 147 Ca 0.09 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.25 1mr9 n VAL 147 Cb 0.47 -0.26 0.08 0.00 -1.47 0.00 0.00 33.84 32.66 1mr9 n VAL 147 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1mr9 n LYS 148 N -1.36 0.05 -3.50 7.34 5.02 -1.26 -4.74 118.16 119.70 1mr9 n LYS 148 Ca 0.00 -1.55 -0.35 0.00 -2.02 0.00 0.00 58.31 54.39 1mr9 n LYS 148 Cb 0.21 -0.45 -0.06 0.00 -0.02 0.00 0.00 35.03 34.71 1mr9 n LYS 148 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1mr9 s ASP 149 N -3.47 6.70 -0.27 4.39 1.01 -1.26 -4.56 116.67 119.20 1mr9 s ASP 149 Ca 0.40 0.89 -0.04 0.00 0.71 0.00 0.00 52.55 54.50 1mr9 s ASP 149 Cb -0.02 -2.21 0.02 0.00 1.01 0.00 0.00 42.92 41.71 1mr9 s ASP 149 CO 0.27 0.14 0.02 -0.63 0.21 0.00 0.00 175.17 175.18 1mr9 s ILE 150 N -1.43 3.49 0.82 0.77 1.01 -0.88 -5.00 121.20 119.97 1mr9 s ILE 150 Ca 0.35 -0.84 -0.13 0.00 0.00 0.00 0.00 60.65 60.03 1mr9 s ILE 150 Cb -0.14 -2.79 0.08 0.00 0.01 0.00 0.00 42.46 39.62 1mr9 s ILE 150 CO 0.19 0.13 1.11 0.00 0.00 0.00 0.00 174.94 176.37 1mr9 n ALA 151 N 4.78 -0.32 -1.63 9.38 0.00 -1.26 0.76 120.51 132.21 1mr9 n ALA 151 Ca -0.15 -0.36 -0.38 0.00 0.00 0.00 0.00 53.44 52.55 1mr9 n ALA 151 Cb 0.48 -2.19 0.05 0.00 0.00 0.00 0.00 19.45 17.78 1mr9 n ALA 151 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1mr9 n PRO 152 N -3.09 0.99 -3.08 0.00 -0.02 -1.26 -4.17 135.00 124.38 1mr9 n PRO 152 Ca 0.13 0.38 -0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1mr9 n PRO 152 Cb 0.51 -2.22 -0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1mr9 n PRO 152 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1mr9 n TYR 153 N -1.64 -0.38 -3.70 6.00 4.02 0.35 -4.90 117.16 116.91 1mr9 n TYR 153 Ca 0.13 0.20 -0.25 0.00 -0.01 0.00 0.00 57.90 57.97 1mr9 n TYR 153 Cb 0.47 -1.26 -0.17 0.00 -0.02 0.00 0.00 39.34 38.36 1mr9 n TYR 153 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1mr9 s LEU 155 N -0.39 0.72 -0.01 7.72 2.96 0.13 -1.92 118.68 127.89 1mr9 s LEU 155 Ca -0.02 -0.52 0.05 0.00 -0.22 0.00 0.00 54.13 53.42 1mr9 s LEU 155 Cb 0.00 -0.42 -0.03 0.00 0.50 0.00 0.00 46.19 46.24 1mr9 s LEU 155 CO 0.07 -0.29 -0.13 0.00 -1.32 0.00 0.00 176.35 174.68 1mr9 s ALA 156 N 1.99 2.75 0.07 5.97 0.00 -0.57 0.32 121.76 132.28 1mr9 s ALA 156 Ca 0.02 -1.06 -0.26 0.00 0.00 0.00 0.00 51.96 50.66 1mr9 s ALA 156 Cb -0.15 -0.94 0.07 0.00 0.00 0.00 0.00 23.12 22.09 1mr9 s ALA 156 CO -0.07 0.58 0.63 0.20 0.00 0.00 0.00 175.76 177.09 1mr9 s GLY 157 N -1.16 -0.59 0.00 0.00 0.00 0.19 -0.58 107.32 105.18 1mr9 s GLY 157 Ca 0.14 0.83 0.00 0.00 0.00 0.00 0.00 44.72 45.69 1mr9 s GLY 157 CO 0.04 0.49 0.00 0.61 0.00 0.00 0.00 173.10 174.24 1mr9 n GLY 158 N 0.20 0.66 2.66 0.20 0.00 -1.26 0.45 105.19 108.09 1mr9 n GLY 158 Ca -0.18 -2.22 -0.19 0.00 0.00 0.00 0.00 46.02 43.43 1mr9 n GLY 158 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mr9 s ASN 159 N -2.05 1.29 0.52 1.61 2.47 -1.26 -0.38 114.94 117.14 1mr9 s ASN 159 Ca 0.00 -1.93 -0.17 0.00 0.42 0.00 0.00 52.86 51.18 1mr9 s ASN 159 Cb 0.00 0.36 -0.08 0.00 -1.45 0.00 0.00 41.25 40.08 1mr9 s ASN 159 CO 0.00 -0.24 0.99 -2.16 -3.72 0.00 0.00 177.10 171.98 1mr9 s PRO 160 N 1.11 3.90 0.36 0.43 0.04 -1.26 -5.01 135.00 134.56 1mr9 s PRO 160 Ca 0.21 1.00 -0.25 0.00 0.04 0.00 0.00 61.00 62.00 1mr9 s PRO 160 Cb -0.13 -2.13 -0.10 0.00 0.04 0.00 0.00 34.50 32.19 1mr9 s PRO 160 CO -0.05 -0.31 0.97 0.00 0.04 0.00 0.00 177.00 177.65 1mr9 s ALA 161 N -2.57 3.15 0.15 8.56 0.00 -0.93 -4.93 121.76 125.20 1mr9 s ALA 161 Ca 0.60 0.55 0.07 0.00 0.00 0.00 0.00 51.96 53.17 1mr9 s ALA 161 Cb -0.11 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 1mr9 s ALA 161 CO 0.31 0.07 -0.14 -0.80 0.00 0.00 0.00 175.76 175.19 1mr9 s ASN 162 N -1.70 2.23 -0.72 0.00 -0.87 0.17 -4.78 114.94 109.27 1mr9 s ASN 162 Ca 0.54 -0.90 -0.26 0.00 -1.57 0.00 0.00 52.86 50.67 1mr9 s ASN 162 Cb -0.18 -0.09 -0.01 0.00 -0.02 0.00 0.00 41.25 40.95 1mr9 s ASN 162 CO 0.23 -0.16 1.70 -1.61 -2.57 0.00 0.00 177.10 174.69 1mr9 s GLU 163 N -3.08 2.83 0.04 -0.60 2.02 -1.26 -0.63 118.70 118.01 1mr9 s GLU 163 Ca 0.15 0.12 -0.26 0.00 0.02 0.00 0.00 54.97 54.99 1mr9 s GLU 163 Cb -0.03 -4.52 -0.17 0.00 0.10 0.00 0.00 34.13 29.51 1mr9 s GLU 163 CO 0.04 -2.66 1.46 0.82 0.02 0.00 0.00 175.26 174.95 1mr9 h ILE 164 N 6.73 0.77 -1.31 -1.63 2.04 0.47 -3.48 117.51 121.10 1mr9 h ILE 164 Ca -0.17 -0.36 0.23 0.00 1.00 0.00 0.00 64.86 65.56 1mr9 h ILE 164 Cb 1.10 0.97 -0.22 0.00 -0.74 0.00 0.00 36.82 37.93 1mr9 h ILE 164 CO 1.25 0.08 0.84 -1.59 0.00 0.00 0.00 178.15 178.72 1mr9 s LYS 165 N -5.35 0.24 0.62 2.37 0.00 -1.02 -4.97 119.74 111.63 1mr9 s LYS 165 Ca -0.15 -0.03 -0.18 0.00 0.00 0.00 0.00 55.97 55.61 1mr9 s LYS 165 Cb 0.03 0.11 -0.03 0.00 0.00 0.00 0.00 37.83 37.95 1mr9 s LYS 165 CO 0.61 -0.09 1.24 -0.65 0.00 0.00 0.00 175.35 176.45 1mr9 s GLN 166 N -1.73 2.80 0.00 1.78 -0.21 -1.26 0.20 119.66 121.24 1mr9 s GLN 166 Ca 0.08 1.91 0.25 0.00 0.02 0.00 0.00 55.36 57.62 1mr9 s GLN 166 Cb -0.01 -1.90 0.48 0.00 1.00 0.00 0.00 33.01 32.58 1mr9 s GLN 166 CO -0.05 -1.36 1.39 0.54 -2.12 0.00 0.00 175.29 173.70 1mr9 n ARG 167 N -1.73 0.25 -3.65 2.91 1.74 -0.81 -4.82 116.66 110.56 1mr9 n ARG 167 Ca 0.14 -0.16 -0.10 0.00 -0.77 0.00 0.00 57.85 56.96 1mr9 n ARG 167 Cb 0.49 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.39 1mr9 n ARG 167 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1mr9 s PHE 168 N -2.86 -0.18 0.24 -1.55 0.08 -1.26 -5.13 117.98 107.31 1mr9 s PHE 168 Ca 0.14 -0.14 -0.31 0.00 0.12 0.00 0.00 56.93 56.75 1mr9 s PHE 168 Cb 0.18 0.27 -0.14 0.00 -0.57 0.00 0.00 43.02 42.76 1mr9 s PHE 168 CO 0.67 -0.72 1.31 -0.40 -0.10 0.00 0.00 175.22 175.97 1mr9 n ASP 169 N -0.24 2.32 0.05 1.36 5.68 -1.26 -4.81 116.55 119.66 1mr9 n ASP 169 Ca -0.15 1.15 0.03 0.00 -0.50 0.00 0.00 54.79 55.32 1mr9 n ASP 169 Cb 0.64 -1.38 0.14 0.00 -1.14 0.00 0.00 41.12 39.39 1mr9 n ASP 169 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 1mr9 n GLN 170 N 1.71 0.04 0.01 0.11 0.00 -1.26 -0.28 117.38 117.70 1mr9 n GLN 170 Ca 0.11 0.45 -0.19 0.00 -0.00 0.00 0.00 57.00 57.38 1mr9 n GLN 170 Cb 0.30 -1.75 -0.14 0.00 0.00 0.00 0.00 30.24 28.66 1mr9 n GLN 170 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 1mr9 h ASP 171 N 0.00 0.36 -0.04 1.69 1.82 -1.99 -2.71 116.42 115.55 1mr9 h ASP 171 Ca 0.00 -0.72 0.00 0.00 -0.39 0.00 0.00 57.03 55.92 1mr9 h ASP 171 Cb 0.26 -0.12 -0.00 0.00 0.68 0.00 0.00 39.33 40.15 1mr9 h ASP 171 CO 0.00 1.64 0.02 0.74 -1.61 0.00 0.00 179.24 180.03 1mr9 h THR 172 N 0.06 1.03 0.31 2.25 2.02 -1.00 -1.53 112.91 116.05 1mr9 h THR 172 Ca -0.37 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.74 1mr9 h THR 172 Cb 2.04 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 69.43 1mr9 h THR 172 CO 0.11 0.02 -0.47 0.40 0.37 0.00 0.00 175.52 175.95 1mr9 h ILE 173 N 0.03 0.00 -0.79 3.11 2.04 -1.64 0.64 117.51 120.90 1mr9 h ILE 173 Ca 0.01 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.05 1mr9 h ILE 173 Cb 0.02 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 35.96 1mr9 h ILE 173 CO -0.00 0.00 -0.07 0.78 0.00 0.00 0.00 178.15 178.85 1mr9 h ASN 174 N -0.81 -0.51 0.56 1.72 4.21 -1.40 0.97 115.58 120.30 1mr9 h ASN 174 Ca -0.04 0.22 -0.02 0.00 1.21 0.00 0.00 56.30 57.68 1mr9 h ASN 174 Cb 0.74 0.42 -0.01 0.00 -1.12 0.00 0.00 38.32 38.35 1mr9 h ASN 174 CO -0.14 -0.23 -0.42 1.56 -1.29 0.00 0.00 177.43 176.91 1mr9 h GLN 175 N 0.05 -0.92 -0.74 0.81 4.20 -0.87 -1.94 115.11 115.71 1mr9 h GLN 175 Ca 0.42 0.06 0.16 0.00 0.06 0.00 0.00 58.65 59.35 1mr9 h GLN 175 Cb 0.72 0.21 -0.11 0.00 0.30 0.00 0.00 27.48 28.59 1mr9 h GLN 175 CO -0.75 -0.61 0.14 -0.07 -0.67 0.00 0.00 178.83 176.87 1mr9 h LEU 176 N -0.95 -0.07 -1.25 1.46 3.38 0.67 1.32 115.31 119.86 1mr9 h LEU 176 Ca -0.06 0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1mr9 h LEU 176 Cb 0.80 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1mr9 h LEU 176 CO 0.01 -0.08 -0.20 -0.07 0.09 0.00 0.00 178.44 178.19 1mr9 h LEU 177 N 0.22 0.00 -0.11 1.67 3.38 -0.41 -1.46 115.31 118.59 1mr9 h LEU 177 Ca 0.42 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.26 1mr9 h LEU 177 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1mr9 h LEU 177 CO -0.55 0.20 -0.43 -0.78 0.09 0.00 0.00 178.44 176.98 1mr9 h ASP 178 N 0.00 0.57 0.15 -0.43 1.82 0.24 -3.36 116.42 115.42 1mr9 h ASP 178 Ca -0.00 -0.62 -0.20 0.00 -0.39 0.00 0.00 57.03 55.81 1mr9 h ASP 178 Cb 0.68 -0.17 0.02 0.00 0.68 0.00 0.00 39.33 40.54 1mr9 h ASP 178 CO 0.03 1.10 -0.89 -0.29 -1.61 0.00 0.00 179.24 177.57 1mr9 h ILE 179 N 0.09 1.48 -5.45 2.25 2.10 -0.61 -3.49 117.51 113.87 1mr9 h ILE 179 Ca -0.02 -2.54 -0.11 0.00 1.08 0.00 0.00 64.86 63.27 1mr9 h ILE 179 Cb 1.06 3.16 0.07 0.00 -1.09 0.00 0.00 36.82 40.02 1mr9 h ILE 179 CO 0.09 0.73 -0.36 2.29 -1.08 0.00 0.00 178.15 179.81 1mr9 n LYS 180 N -4.07 -1.66 -0.21 2.19 -0.00 -0.57 -4.92 118.16 108.92 1mr9 n LYS 180 Ca -0.14 1.23 -0.09 0.00 -0.00 0.00 0.00 58.31 59.30 1mr9 n LYS 180 Cb 0.85 -5.67 0.02 0.00 -0.00 0.00 0.00 35.03 30.24 1mr9 n LYS 180 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.40 177.51 1mr9 h TRP 181 N -0.18 1.15 -0.61 5.58 5.08 -1.95 -2.76 115.95 122.26 1mr9 h TRP 181 Ca -0.25 -0.20 0.18 0.00 1.08 0.00 0.00 58.89 59.69 1mr9 h TRP 181 Cb 1.13 -0.30 -0.02 0.00 -3.00 0.00 0.00 29.16 26.97 1mr9 h TRP 181 CO 0.24 1.02 0.93 0.11 -1.28 0.00 0.00 178.44 179.46 1mr9 h TRP 182 N 0.95 0.00 0.00 0.12 0.09 -1.95 1.93 115.95 117.09 1mr9 h TRP 182 Ca 0.17 0.00 -0.15 0.00 0.09 0.00 0.00 58.89 59.00 1mr9 h TRP 182 Cb 0.56 0.00 -0.02 0.00 0.08 0.00 0.00 29.16 29.78 1mr9 h TRP 182 CO 0.04 0.00 -0.98 -0.91 0.09 0.00 0.00 178.44 176.68 1mr9 h ASN 183 N 0.00 0.00 -2.99 0.11 2.35 -1.85 -3.48 115.58 109.72 1mr9 h ASN 183 Ca 0.29 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.46 1mr9 h ASN 183 Cb 2.15 0.00 0.16 0.00 0.05 0.00 0.00 38.32 40.68 1mr9 h ASN 183 CO -0.00 0.60 -0.26 0.79 -1.65 0.00 0.00 177.43 176.90 1mr9 n TRP 184 N -3.09 -0.27 -1.48 1.19 8.01 0.66 -4.85 117.44 117.62 1mr9 n TRP 184 Ca -0.04 0.47 -0.48 0.00 -1.31 0.00 0.00 57.50 56.14 1mr9 n TRP 184 Cb 0.81 -2.01 -0.03 0.00 -2.01 0.00 0.00 31.31 28.07 1mr9 n TRP 184 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.69 174.38 1mr9 n PRO 185 N -0.10 0.50 -0.31 -0.99 -0.02 -1.26 -4.78 135.00 128.04 1mr9 n PRO 185 Ca 0.12 0.18 0.07 0.00 -2.02 0.00 0.00 63.50 61.85 1mr9 n PRO 185 Cb 0.46 -1.37 0.23 0.00 -0.02 0.00 0.00 33.50 32.80 1mr9 n PRO 185 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1mr9 h ILE 186 N 1.60 0.76 -0.97 4.25 6.09 -1.95 0.42 117.51 127.72 1mr9 h ILE 186 Ca -0.35 -0.24 0.20 0.00 -1.37 0.00 0.00 64.86 63.10 1mr9 h ILE 186 Cb 1.40 0.01 -0.09 0.00 0.47 0.00 0.00 36.82 38.61 1mr9 h ILE 186 CO 0.60 0.13 0.61 -2.24 -3.07 0.00 0.00 178.15 174.18 1mr9 h ASP 187 N 0.69 0.64 -0.10 2.19 -0.00 -2.02 -1.89 116.42 115.95 1mr9 h ASP 187 Ca 0.47 0.07 -0.10 0.00 -0.00 0.00 0.00 57.03 57.47 1mr9 h ASP 187 Cb 0.63 -0.04 0.00 0.00 -0.00 0.00 0.00 39.33 39.92 1mr9 h ASP 187 CO -0.34 0.24 -0.34 0.40 -0.00 0.00 0.00 179.24 179.19 1mr9 h ILE 188 N 0.63 1.40 -0.40 4.15 1.08 -1.25 -3.32 117.51 119.81 1mr9 h ILE 188 Ca 0.54 -1.69 -0.02 0.00 -0.39 0.00 0.00 64.86 63.29 1mr9 h ILE 188 Cb 1.01 2.21 -0.02 0.00 -3.07 0.00 0.00 36.82 36.95 1mr9 h ILE 188 CO -0.30 0.50 0.16 0.40 -0.69 0.00 0.00 178.15 178.22 1mr9 h ILE 189 N -0.04 1.19 -0.06 -0.67 2.04 -1.07 -2.22 117.51 116.68 1mr9 h ILE 189 Ca -0.02 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.28 1mr9 h ILE 189 Cb 0.98 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1mr9 h ILE 189 CO 0.07 0.21 0.49 0.78 0.00 0.00 0.00 178.15 179.70 1mr9 h ASN 190 N 0.50 0.00 -0.37 1.72 2.35 -1.57 1.08 115.58 119.29 1mr9 h ASN 190 Ca 0.13 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.77 1mr9 h ASN 190 Cb 0.18 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.48 1mr9 h ASN 190 CO -0.01 0.00 0.03 -0.62 -1.65 0.00 0.00 177.43 175.17 1mr9 n GLU 191 N -2.90 2.54 0.00 0.81 4.71 -0.84 -4.55 120.64 120.42 1mr9 n GLU 191 Ca -0.00 -3.00 0.00 0.00 -0.01 0.00 0.00 57.16 54.15 1mr9 n GLU 191 Cb 0.54 -1.88 0.00 0.00 -1.01 0.00 0.00 31.44 29.09 1mr9 n GLU 191 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1mr9 n ASN 192 N -0.75 0.00 -0.11 1.62 3.02 0.37 -4.95 115.26 114.45 1mr9 n ASN 192 Ca 0.29 -1.00 -0.06 0.00 -0.03 0.00 0.00 54.58 53.78 1mr9 n ASN 192 Cb 1.03 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 40.21 1mr9 n ASN 192 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1mr9 h ILE 193 N 2.52 0.90 -0.50 2.41 2.04 -1.65 0.55 117.51 123.79 1mr9 h ILE 193 Ca 0.00 -0.10 -0.09 0.00 1.00 0.00 0.00 64.86 65.67 1mr9 h ILE 193 Cb 0.88 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1mr9 h ILE 193 CO 0.00 0.05 -0.06 0.44 0.00 0.00 0.00 178.15 178.58 1mr9 h ASP 194 N 0.28 0.86 1.16 1.72 3.32 -1.92 2.96 116.42 124.79 1mr9 h ASP 194 Ca 0.17 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 1mr9 h ASP 194 Cb 0.14 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 1mr9 h ASP 194 CO -0.17 0.96 -0.08 0.11 -1.72 0.00 0.00 179.24 178.35 1mr9 h LYS 195 N 0.80 0.00 0.05 3.56 6.56 -1.83 0.78 116.57 126.49 1mr9 h LYS 195 Ca 0.14 0.00 -0.30 0.00 -1.06 0.00 0.00 60.65 59.43 1mr9 h LYS 195 Cb 0.57 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.20 1mr9 h LYS 195 CO 0.03 0.08 -1.61 0.82 -2.06 0.00 0.00 179.45 176.71 1mr9 h ILE 196 N 0.00 1.01 -0.05 1.86 2.04 0.17 0.95 117.51 123.49 1mr9 h ILE 196 Ca -0.00 -2.77 -0.23 0.00 1.00 0.00 0.00 64.86 62.86 1mr9 h ILE 196 Cb 0.68 2.58 0.01 0.00 -0.74 0.00 0.00 36.82 39.35 1mr9 h ILE 196 CO 0.01 0.70 -0.90 -0.07 0.00 0.00 0.00 178.15 177.89 1mr9 h LEU 197 N 0.03 0.77 -1.15 1.44 3.38 0.55 -3.21 115.31 117.12 1mr9 h LEU 197 Ca -0.26 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.15 1mr9 h LEU 197 Cb 1.99 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.50 1mr9 h LEU 197 CO 0.11 1.36 0.00 -0.90 0.09 0.00 0.00 178.44 179.10 1mr9 n ASP 198 N -3.85 1.75 -1.47 -0.43 5.75 0.27 -4.93 116.55 113.64 1mr9 n ASP 198 Ca -0.08 -1.64 -0.13 0.00 -0.01 0.00 0.00 54.79 52.93 1mr9 n ASP 198 Cb 0.81 -0.06 -0.00 0.00 -1.03 0.00 0.00 41.12 40.83 1mr9 n ASP 198 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1mr9 n ASN 199 N 0.37 -3.99 -0.05 -1.12 5.15 -0.93 -4.90 115.26 109.78 1mr9 n ASN 199 Ca 0.17 -0.02 -0.11 0.00 -0.60 0.00 0.00 54.58 54.02 1mr9 n ASN 199 Cb 0.37 -3.16 -0.15 0.00 -0.53 0.00 0.00 39.78 36.31 1mr9 n ASN 199 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1mr9 n SER 200 N -0.43 0.80 0.07 1.20 2.88 0.31 -4.29 113.62 114.16 1mr9 n SER 200 Ca -0.14 0.21 0.01 0.00 -1.33 0.00 0.00 58.87 57.61 1mr9 n SER 200 Cb 0.61 0.18 0.05 0.00 -0.75 0.00 0.00 64.21 64.30 1mr9 n SER 200 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1mr9 n ILE 201 N -3.01 0.28 1.31 2.46 -6.64 0.09 -5.02 119.36 108.84 1mr9 n ILE 201 Ca -0.26 0.61 0.11 0.00 -1.77 0.00 0.00 62.75 61.43 1mr9 n ILE 201 Cb 1.08 -1.61 0.62 0.00 -1.44 0.00 0.00 39.64 38.30 1mr9 n ILE 201 CO 0.00 0.00 0.00 2.30 -1.77 0.00 0.00 176.55 177.08