#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ynn n LYS 5 N 0.00 0.00 0.00 4.33 5.02 -1.26 -5.07 118.16 121.19 1ynn n LYS 5 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ynn n LYS 5 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1ynn n LYS 5 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1ynn n LEU 6 N 0.00 0.00 -3.84 -0.35 -0.00 -1.26 -5.01 117.00 106.55 1ynn n LEU 6 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.92 1ynn n LEU 6 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.35 1ynn n LEU 6 CO 0.00 -0.14 -0.02 -1.59 -0.00 0.00 0.00 177.39 175.64 1ynn s LYS 7 N 0.00 0.96 0.44 1.47 0.00 -1.26 -5.16 119.74 116.19 1ynn s LYS 7 Ca 0.00 -0.96 -0.26 0.00 0.00 0.00 0.00 55.97 54.76 1ynn s LYS 7 Cb 0.00 0.38 -0.09 0.00 0.00 0.00 0.00 37.83 38.12 1ynn s LYS 7 CO 0.00 -0.33 1.43 0.00 0.00 0.00 0.00 175.35 176.45 1ynn s ALA 8 N -3.87 3.30 0.74 0.59 0.00 -1.26 -4.98 121.76 116.27 1ynn s ALA 8 Ca 0.07 1.48 -0.06 0.00 0.00 0.00 0.00 51.96 53.45 1ynn s ALA 8 Cb 0.04 -3.59 0.11 0.00 0.00 0.00 0.00 23.12 19.68 1ynn s ALA 8 CO -0.09 -1.16 1.04 -1.25 0.00 0.00 0.00 175.76 174.30 1ynn s PRO 9 N -2.38 1.76 -0.09 0.00 0.05 -1.26 -5.06 135.00 128.00 1ynn s PRO 9 Ca 0.59 -0.64 -0.01 0.00 0.05 0.00 0.00 61.00 60.99 1ynn s PRO 9 Cb -0.44 -2.20 -0.03 0.00 0.05 0.00 0.00 34.50 31.88 1ynn s PRO 9 CO 0.57 -1.48 -0.04 0.08 0.05 0.00 0.00 177.00 176.18 1ynn s VAL 10 N -3.28 3.92 -0.39 -0.36 1.01 -1.26 -4.98 120.40 115.06 1ynn s VAL 10 Ca 0.65 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 62.26 1ynn s VAL 10 Cb -0.07 -2.64 0.11 0.00 0.00 0.00 0.00 36.38 33.77 1ynn s VAL 10 CO 0.45 0.58 0.12 0.12 0.00 0.00 0.00 175.10 176.37 1ynn s PHE 11 N -0.56 3.65 0.37 5.22 5.36 -1.26 -1.56 117.98 129.21 1ynn s PHE 11 Ca 0.09 -2.90 -0.01 0.00 -0.96 0.00 0.00 56.93 53.14 1ynn s PHE 11 Cb -0.12 -2.99 -0.04 0.00 -0.34 0.00 0.00 43.02 39.54 1ynn s PHE 11 CO 0.02 -0.92 0.60 0.95 -1.46 0.00 0.00 175.22 174.41 1ynn s THR 12 N 0.76 5.05 -0.49 0.12 -4.23 -0.60 -4.94 115.64 111.31 1ynn s THR 12 Ca 0.11 -0.26 0.06 0.00 -1.18 0.00 0.00 61.69 60.43 1ynn s THR 12 Cb -0.21 -3.85 0.18 0.00 1.34 0.00 0.00 72.50 69.97 1ynn s THR 12 CO -0.06 -0.60 0.61 0.00 -0.54 0.00 0.00 174.62 174.03 1ynn n ALA 13 N -1.80 -0.41 -2.25 3.99 0.00 -1.26 -1.41 120.51 117.36 1ynn n ALA 13 Ca -0.03 -1.67 -0.43 0.00 0.00 0.00 0.00 53.44 51.31 1ynn n ALA 13 Cb 0.56 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.72 1ynn n ALA 13 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ynn s THR 14 N 0.61 3.80 0.15 0.00 2.01 -1.17 -4.90 115.64 116.14 1ynn s THR 14 Ca 0.31 0.83 0.08 0.00 0.31 0.00 0.00 61.69 63.22 1ynn s THR 14 Cb 0.01 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 1ynn s THR 14 CO -0.10 -0.62 -0.11 0.28 -0.69 0.00 0.00 174.62 173.38 1ynn s THR 15 N 5.69 3.16 0.00 -0.82 -1.32 -1.26 -2.65 115.64 118.44 1ynn s THR 15 Ca 0.66 -1.52 0.00 0.00 -1.21 0.00 0.00 61.69 59.62 1ynn s THR 15 Cb -0.17 -2.52 0.00 0.00 -1.51 0.00 0.00 72.50 68.30 1ynn s THR 15 CO 0.32 -0.01 0.00 1.67 -2.21 0.00 0.00 174.62 174.39 1ynn n GLN 16 N 0.37 0.00 0.00 7.08 -0.06 -1.21 -5.04 117.38 118.53 1ynn n GLN 16 Ca -0.12 0.17 0.00 0.00 -2.00 0.00 0.00 57.00 55.05 1ynn n GLN 16 Cb 0.54 -0.59 0.00 0.00 -4.06 0.00 0.00 30.24 26.13 1ynn n GLN 16 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1ynn n GLY 17 N 2.06 -0.13 0.00 1.69 0.00 -1.26 -5.03 105.19 102.53 1ynn n GLY 17 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1ynn n GLY 17 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ynn n ASP 18 N 0.00 0.00 -4.84 1.61 5.75 -1.26 -5.10 116.55 112.71 1ynn n ASP 18 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 54.79 54.56 1ynn n ASP 18 Cb 0.00 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.05 1ynn n ASP 18 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1ynn s HIS 19 N 0.00 3.01 -0.01 2.11 -3.43 -1.26 -3.89 115.29 111.83 1ynn s HIS 19 Ca 0.00 -0.20 -0.02 0.00 -0.80 0.00 0.00 55.06 54.04 1ynn s HIS 19 Cb 0.00 -1.58 0.01 0.00 -1.43 0.00 0.00 32.58 29.57 1ynn s HIS 19 CO 0.00 0.36 0.03 0.98 -2.00 0.00 0.00 174.74 174.12 1ynn n TYR 20 N -1.27 -4.63 -4.25 0.38 -0.00 -1.24 -4.56 117.16 101.59 1ynn n TYR 20 Ca -0.05 2.75 -0.17 0.00 -0.00 0.00 0.00 57.90 60.42 1ynn n TYR 20 Cb 0.59 -3.75 -0.13 0.00 -0.00 0.00 0.00 39.34 36.05 1ynn n TYR 20 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 1ynn s GLY 21 N -0.59 0.61 0.01 2.98 0.00 -0.76 -3.29 107.32 106.28 1ynn s GLY 21 Ca -0.04 -0.69 0.01 0.00 0.00 0.00 0.00 44.72 44.01 1ynn s GLY 21 CO 0.10 -0.68 0.02 -0.54 0.00 0.00 0.00 173.10 172.00 1ynn s GLU 22 N -1.04 2.83 -0.15 2.90 2.02 -1.09 -0.45 118.70 123.72 1ynn s GLU 22 Ca -0.01 -0.61 -0.08 0.00 0.02 0.00 0.00 54.97 54.30 1ynn s GLU 22 Cb -0.07 -2.70 0.06 0.00 0.10 0.00 0.00 34.13 31.51 1ynn s GLU 22 CO 0.01 0.62 0.35 -0.06 0.02 0.00 0.00 175.26 176.20 1ynn s PHE 23 N -1.14 -0.52 -0.22 1.61 0.40 0.18 -3.05 117.98 115.24 1ynn s PHE 23 Ca 0.21 1.13 -0.01 0.00 -0.60 0.00 0.00 56.93 57.67 1ynn s PHE 23 Cb -0.12 0.19 0.06 0.00 0.51 0.00 0.00 43.02 43.66 1ynn s PHE 23 CO 0.12 -0.32 -0.01 0.08 0.70 0.00 0.00 175.22 175.79 1ynn s VAL 24 N 1.47 1.07 -0.53 -0.44 1.01 -0.50 0.32 120.40 122.81 1ynn s VAL 24 Ca -0.09 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 60.79 1ynn s VAL 24 Cb -0.09 -1.45 0.08 0.00 0.00 0.00 0.00 36.38 34.92 1ynn s VAL 24 CO -0.11 -0.16 0.58 -0.22 0.00 0.00 0.00 175.10 175.19 1ynn s LEU 25 N 1.61 5.40 0.00 3.92 2.96 -0.68 -1.56 118.68 130.32 1ynn s LEU 25 Ca -0.04 -1.27 0.00 0.00 -0.22 0.00 0.00 54.13 52.61 1ynn s LEU 25 Cb -0.18 -2.31 0.00 0.00 0.50 0.00 0.00 46.19 44.19 1ynn s LEU 25 CO -0.07 -0.89 0.00 -0.62 -1.32 0.00 0.00 176.35 173.44 1ynn n GLU 26 N 5.88 0.00 -2.20 1.98 -0.58 -0.60 -2.79 120.64 122.33 1ynn n GLU 26 Ca -0.10 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.22 1ynn n GLU 26 Cb 0.43 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.28 1ynn n GLU 26 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 1ynn s PRO 27 N 0.00 4.30 -0.19 3.49 0.02 -1.26 -4.04 135.00 137.32 1ynn s PRO 27 Ca 0.00 2.01 -0.20 0.00 0.02 0.00 0.00 61.00 62.83 1ynn s PRO 27 Cb 0.00 -3.44 0.05 0.00 0.02 0.00 0.00 34.50 31.13 1ynn s PRO 27 CO 0.00 -0.51 0.56 -0.51 -0.33 0.00 0.00 177.00 176.21 1ynn s LEU 28 N 1.85 -0.15 0.50 -5.54 1.43 -0.97 -4.54 118.68 111.26 1ynn s LEU 28 Ca 0.64 1.06 -0.21 0.00 -1.03 0.00 0.00 54.13 54.60 1ynn s LEU 28 Cb -0.34 1.95 -0.09 0.00 0.03 0.00 0.00 46.19 47.75 1ynn s LEU 28 CO 0.28 -0.24 0.83 1.21 0.23 0.00 0.00 176.35 178.67 1ynn n GLU 29 N 2.57 0.95 -1.54 1.70 4.07 -1.26 -1.14 120.64 125.99 1ynn n GLU 29 Ca -0.14 0.35 -0.13 0.00 -0.06 0.00 0.00 57.16 57.17 1ynn n GLU 29 Cb 0.56 -1.93 -0.09 0.00 -0.06 0.00 0.00 31.44 29.91 1ynn n GLU 29 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 1ynn n ARG 30 N -0.15 0.35 0.00 5.31 0.63 -1.26 -2.21 116.66 119.33 1ynn n ARG 30 Ca 0.11 -1.06 0.00 0.00 -0.92 0.00 0.00 57.85 55.98 1ynn n ARG 30 Cb 0.43 -3.54 0.00 0.00 0.45 0.00 0.00 32.46 29.80 1ynn n ARG 30 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ynn n GLY 31 N 6.44 3.74 0.00 5.14 0.00 -1.26 -5.01 105.19 114.24 1ynn n GLY 31 Ca 0.45 -0.55 0.02 0.00 0.00 0.00 0.00 46.02 45.93 1ynn n GLY 31 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ynn n PHE 32 N 0.00 0.00 -0.00 1.61 3.72 -0.94 -2.15 117.46 119.70 1ynn n PHE 32 Ca 0.00 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.30 1ynn n PHE 32 Cb 0.00 -0.05 -0.05 0.00 -0.94 0.00 0.00 39.48 38.44 1ynn n PHE 32 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1ynn h GLY 33 N 0.58 0.07 1.53 1.37 0.00 -1.92 -2.57 103.07 102.13 1ynn h GLY 33 Ca 0.00 0.04 -0.28 0.00 0.00 0.00 0.00 47.33 47.09 1ynn h GLY 33 CO 0.00 -0.04 -1.32 -2.08 0.00 0.00 0.00 176.54 173.10 1ynn h VAL 34 N -0.00 1.39 0.00 4.60 2.07 -1.84 -1.46 116.25 121.00 1ynn h VAL 34 Ca 0.05 -3.01 -0.00 0.00 0.82 0.00 0.00 66.70 64.56 1ynn h VAL 34 Cb 0.08 2.85 -0.00 0.00 -1.52 0.00 0.00 31.29 32.70 1ynn h VAL 34 CO -0.11 0.86 -0.00 0.74 0.02 0.00 0.00 177.57 179.09 1ynn h THR 35 N 0.06 0.07 0.00 2.57 2.02 -1.54 -1.82 112.91 114.27 1ynn h THR 35 Ca -0.16 -0.03 -0.20 0.00 0.77 0.00 0.00 66.41 66.80 1ynn h THR 35 Cb 1.96 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 69.37 1ynn h THR 35 CO 0.18 0.00 -1.57 0.18 0.37 0.00 0.00 175.52 174.68 1ynn n LEU 36 N -3.18 1.12 -0.37 2.58 4.77 -0.97 -4.67 117.00 116.28 1ynn n LEU 36 Ca -0.03 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1ynn n LEU 36 Cb 0.08 -0.45 0.14 0.00 -2.33 0.00 0.00 43.42 40.86 1ynn n LEU 36 CO 0.21 0.15 1.28 1.23 -1.33 0.00 0.00 177.39 178.93 1ynn h GLY 37 N -0.52 1.47 0.77 -0.72 0.00 -1.26 -2.52 103.07 100.30 1ynn h GLY 37 Ca -0.30 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.50 1ynn h GLY 37 CO -0.18 0.43 -0.28 -0.57 0.00 0.00 0.00 176.54 175.94 1ynn h ASN 38 N 1.27 -0.65 -0.92 0.19 -0.73 -1.53 -0.69 115.58 112.52 1ynn h ASN 38 Ca 0.40 -0.04 0.07 0.00 1.87 0.00 0.00 56.30 58.59 1ynn h ASN 38 Cb 0.00 0.17 -0.06 0.00 0.27 0.00 0.00 38.32 38.70 1ynn h ASN 38 CO -0.13 -0.32 0.58 -0.65 -0.37 0.00 0.00 177.43 176.55 1ynn h PRO 39 N -1.01 1.02 0.58 6.67 0.11 -1.74 -1.93 132.00 135.70 1ynn h PRO 39 Ca -0.08 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.95 1ynn h PRO 39 Cb 0.65 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 1ynn h PRO 39 CO 0.13 0.67 -0.38 -0.07 -0.21 0.00 0.00 178.00 178.14 1ynn h LEU 40 N 1.05 -0.97 -0.96 2.35 3.38 -1.43 -2.01 115.31 116.72 1ynn h LEU 40 Ca 0.40 0.06 0.14 0.00 0.09 0.00 0.00 57.88 58.58 1ynn h LEU 40 Cb 0.18 0.29 -0.15 0.00 0.09 0.00 0.00 40.66 41.07 1ynn h LEU 40 CO -0.18 -0.58 -0.41 -0.09 0.09 0.00 0.00 178.44 177.27 1ynn h ARG 41 N -0.92 -0.02 -0.14 1.13 2.43 -0.75 0.43 114.38 116.55 1ynn h ARG 41 Ca -0.07 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1ynn h ARG 41 Cb 0.75 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.26 1ynn h ARG 41 CO 0.05 -0.01 -0.35 0.00 -1.51 0.00 0.00 179.97 178.15 1ynn h ARG 42 N -0.02 -0.33 -0.80 0.20 3.08 -1.07 -2.29 114.38 113.15 1ynn h ARG 42 Ca 0.32 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.46 1ynn h ARG 42 Cb 0.58 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.64 1ynn h ARG 42 CO -0.96 -0.22 0.47 0.82 -1.07 0.00 0.00 179.97 179.02 1ynn h ILE 43 N -0.34 0.99 -0.48 2.04 5.03 -0.50 -2.67 117.51 121.58 1ynn h ILE 43 Ca 0.03 -0.29 0.10 0.00 -0.12 0.00 0.00 64.86 64.57 1ynn h ILE 43 Cb 0.42 0.06 -0.10 0.00 -3.03 0.00 0.00 36.82 34.18 1ynn h ILE 43 CO -0.31 0.15 -0.22 -0.07 -0.68 0.00 0.00 178.15 177.03 1ynn h LEU 44 N 0.85 -0.76 -1.72 1.44 -0.00 0.34 -1.23 115.31 114.24 1ynn h LEU 44 Ca 0.36 0.18 0.00 0.00 -0.00 0.00 0.00 57.88 58.42 1ynn h LEU 44 Cb 0.23 0.41 0.00 0.00 -0.00 0.00 0.00 40.66 41.30 1ynn h LEU 44 CO -0.20 -0.25 0.00 0.18 -0.00 0.00 0.00 178.44 178.18 1ynn n LEU 45 N -5.40 2.51 0.00 1.67 4.77 -0.96 -4.35 117.00 115.24 1ynn n LEU 45 Ca 0.04 -1.26 0.00 0.00 -0.03 0.00 0.00 56.01 54.75 1ynn n LEU 45 Cb 0.31 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1ynn n LEU 45 CO 0.08 0.44 0.00 -0.24 -1.33 0.00 0.00 177.39 176.34 1ynn n SER 46 N 0.39 0.00 0.00 -1.43 2.88 -0.69 -4.83 113.62 109.94 1ynn n SER 46 Ca 0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1ynn n SER 46 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 1ynn n SER 46 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ynn n SER 47 N 0.00 0.00 -4.48 -3.46 7.64 -0.55 -4.52 113.62 108.25 1ynn n SER 47 Ca 0.00 -1.00 -0.42 0.00 1.01 0.00 0.00 58.87 58.46 1ynn n SER 47 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1ynn n SER 47 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1ynn s ILE 48 N 0.00 4.17 0.29 0.44 -1.09 -1.26 -4.98 121.20 118.78 1ynn s ILE 48 Ca 0.00 -0.23 -0.30 0.00 -2.23 0.00 0.00 60.65 57.89 1ynn s ILE 48 Cb 0.00 -4.76 -0.12 0.00 -1.58 0.00 0.00 42.46 36.00 1ynn s ILE 48 CO 0.00 -1.58 1.50 -0.81 -1.23 0.00 0.00 174.94 172.82 1ynn n PRO 49 N 8.12 2.45 -2.52 2.79 -0.04 -1.26 -4.23 135.00 140.32 1ynn n PRO 49 Ca 0.00 0.87 -0.05 0.00 -0.04 0.00 0.00 63.50 64.28 1ynn n PRO 49 Cb 0.47 -2.59 -0.02 0.00 -0.04 0.00 0.00 33.50 31.32 1ynn n PRO 49 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ynn n GLY 50 N 1.87 3.21 3.03 0.55 0.00 -0.97 -4.80 105.19 108.07 1ynn n GLY 50 Ca 0.08 -1.58 -0.12 0.00 0.00 0.00 0.00 46.02 44.40 1ynn n GLY 50 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ynn s THR 51 N -2.50 -0.50 0.12 2.61 -1.32 -1.26 -1.87 115.64 110.92 1ynn s THR 51 Ca 0.11 0.14 -0.09 0.00 -1.21 0.00 0.00 61.69 60.64 1ynn s THR 51 Cb 0.00 -0.60 -0.00 0.00 -1.51 0.00 0.00 72.50 70.38 1ynn s THR 51 CO 0.08 0.02 0.23 0.00 -2.21 0.00 0.00 174.62 172.74 1ynn s ALA 52 N 2.48 -0.11 0.39 11.08 0.00 -0.84 -4.48 121.76 130.29 1ynn s ALA 52 Ca 0.03 -0.75 -0.23 0.00 0.00 0.00 0.00 51.96 51.01 1ynn s ALA 52 Cb -0.13 0.67 -0.13 0.00 0.00 0.00 0.00 23.12 23.53 1ynn s ALA 52 CO -0.11 -0.57 0.63 0.28 0.00 0.00 0.00 175.76 175.98 1ynn n VAL 53 N -0.13 1.86 0.00 0.00 0.31 -1.26 -1.88 118.33 117.23 1ynn n VAL 53 Ca -0.11 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.72 1ynn n VAL 53 Cb 0.63 -0.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 1ynn n VAL 53 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1ynn n THR 54 N -0.68 0.00 -3.68 2.52 5.66 0.23 -4.50 114.28 113.83 1ynn n THR 54 Ca 0.12 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.02 1ynn n THR 54 Cb 0.38 -0.17 -0.10 0.00 -1.55 0.00 0.00 70.33 68.89 1ynn n THR 54 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1ynn s SER 55 N -1.33 -0.61 -0.09 1.09 0.01 -1.17 -1.20 113.70 110.40 1ynn s SER 55 Ca 0.00 1.06 0.04 0.00 1.31 0.00 0.00 55.95 58.36 1ynn s SER 55 Cb 0.00 1.00 -0.00 0.00 0.21 0.00 0.00 66.02 67.23 1ynn s SER 55 CO 0.00 -0.21 -0.23 -0.69 0.41 0.00 0.00 173.24 172.52 1ynn s VAL 56 N 1.59 2.01 -0.15 3.43 1.01 -0.45 0.37 120.40 128.22 1ynn s VAL 56 Ca -0.09 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 60.87 1ynn s VAL 56 Cb -0.08 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 1ynn s VAL 56 CO -0.15 0.55 -0.07 -0.47 0.00 0.00 0.00 175.10 174.97 1ynn s TYR 57 N 0.31 2.96 -0.08 5.22 6.14 -0.86 0.98 117.35 132.03 1ynn s TYR 57 Ca -0.17 -0.41 0.02 0.00 0.64 0.00 0.00 57.07 57.15 1ynn s TYR 57 Cb -0.18 -1.92 0.01 0.00 0.42 0.00 0.00 41.96 40.30 1ynn s TYR 57 CO 0.08 -0.09 -0.14 0.42 0.64 0.00 0.00 175.55 176.46 1ynn s ILE 58 N 0.35 1.31 0.49 3.14 1.09 -1.26 -1.02 121.20 125.29 1ynn s ILE 58 Ca -0.06 -0.57 -0.24 0.00 -1.10 0.00 0.00 60.65 58.68 1ynn s ILE 58 Cb -0.15 -1.19 -0.07 0.00 -1.06 0.00 0.00 42.46 39.99 1ynn s ILE 58 CO 0.04 0.40 1.34 -0.62 -0.10 0.00 0.00 174.94 176.00 1ynn n GLU 59 N 3.86 1.91 -2.17 2.79 -0.58 -1.03 -4.50 120.64 120.91 1ynn n GLU 59 Ca -0.21 0.69 -0.01 0.00 -0.42 0.00 0.00 57.16 57.21 1ynn n GLU 59 Cb 0.52 -2.53 0.00 0.00 -0.57 0.00 0.00 31.44 28.86 1ynn n GLU 59 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1ynn n ASP 60 N -0.41 -5.25 0.00 1.62 8.00 -1.26 -4.73 116.55 114.52 1ynn n ASP 60 Ca 0.08 0.70 0.00 0.00 0.71 0.00 0.00 54.79 56.28 1ynn n ASP 60 Cb 0.42 -3.35 0.00 0.00 -0.02 0.00 0.00 41.12 38.17 1ynn n ASP 60 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1ynn n VAL 61 N 0.26 -0.82 -0.87 2.53 3.14 -1.26 -4.98 118.33 116.33 1ynn n VAL 61 Ca 0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 1ynn n VAL 61 Cb 0.04 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.82 1ynn n VAL 61 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ynn n LEU 62 N -1.08 0.00 -0.60 6.55 -0.00 -1.26 -4.85 117.00 115.76 1ynn n LEU 62 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1ynn n LEU 62 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1ynn n LEU 62 CO 0.00 0.00 -0.19 1.41 -0.00 0.00 0.00 177.39 178.61 1ynn n HIS 63 N 0.00 -1.65 0.27 1.47 -0.00 -1.26 -4.72 115.22 109.32 1ynn n HIS 63 Ca 0.00 0.89 0.15 0.00 -0.00 0.00 0.00 57.72 58.76 1ynn n HIS 63 Cb 0.00 -1.71 0.70 0.00 -0.00 0.00 0.00 29.99 28.98 1ynn n HIS 63 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 1ynn h GLU 64 N 0.10 0.00 -4.35 -0.41 4.22 -2.00 -3.40 114.58 108.74 1ynn h GLU 64 Ca 0.00 0.00 -0.57 0.00 0.08 0.00 0.00 59.36 58.87 1ynn h GLU 64 Cb 0.35 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 29.23 1ynn h GLU 64 CO 0.00 0.10 -0.80 -0.06 -2.18 0.00 0.00 179.01 176.06 1ynn s PHE 65 N -3.88 1.92 0.22 0.92 0.40 -1.26 -4.31 117.98 111.99 1ynn s PHE 65 Ca -0.01 -1.18 -0.21 0.00 -0.60 0.00 0.00 56.93 54.93 1ynn s PHE 65 Cb 0.11 -1.43 0.07 0.00 0.51 0.00 0.00 43.02 42.28 1ynn s PHE 65 CO 0.57 -0.64 0.98 -1.12 0.70 0.00 0.00 175.22 175.71 1ynn s SER 66 N 1.56 -0.02 -0.08 1.36 0.01 -1.26 -5.07 113.70 110.21 1ynn s SER 66 Ca 0.02 -0.72 -0.02 0.00 1.31 0.00 0.00 55.95 56.53 1ynn s SER 66 Cb -0.15 0.56 0.04 0.00 0.21 0.00 0.00 66.02 66.68 1ynn s SER 66 CO -0.08 -1.11 0.05 0.42 0.41 0.00 0.00 173.24 172.93 1ynn s THR 67 N -2.36 0.07 -0.19 1.44 -4.23 -1.26 -3.33 115.64 105.79 1ynn s THR 67 Ca 0.19 0.20 -0.27 0.00 -1.18 0.00 0.00 61.69 60.63 1ynn s THR 67 Cb -0.03 -0.37 -0.00 0.00 1.34 0.00 0.00 72.50 73.43 1ynn s THR 67 CO 0.06 0.12 0.94 -0.63 -0.54 0.00 0.00 174.62 174.56 1ynn s ILE 68 N 2.09 4.79 0.42 2.99 1.01 -1.26 -5.03 121.20 126.21 1ynn s ILE 68 Ca 0.04 1.84 -0.25 0.00 0.00 0.00 0.00 60.65 62.28 1ynn s ILE 68 Cb -0.13 -4.23 -0.08 0.00 0.01 0.00 0.00 42.46 38.03 1ynn s ILE 68 CO -0.05 -0.06 1.29 -2.84 0.00 0.00 0.00 174.94 173.28 1ynn s PRO 69 N 2.56 3.87 0.00 2.79 0.02 -1.26 -2.31 135.00 140.67 1ynn s PRO 69 Ca 0.42 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.54 1ynn s PRO 69 Cb -0.16 -2.67 0.00 0.00 0.02 0.00 0.00 34.50 31.69 1ynn s PRO 69 CO 0.11 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.63 1ynn n GLY 70 N 0.64 2.70 3.39 0.52 0.00 -1.26 -4.76 105.19 106.42 1ynn n GLY 70 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1ynn n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ynn s VAL 71 N -2.06 3.75 0.15 1.61 1.01 -0.98 0.66 120.40 124.54 1ynn s VAL 71 Ca 0.00 -0.37 -0.13 0.00 0.00 0.00 0.00 61.98 61.47 1ynn s VAL 71 Cb 0.00 -2.71 0.03 0.00 0.00 0.00 0.00 36.38 33.71 1ynn s VAL 71 CO 0.00 0.42 1.68 0.07 0.00 0.00 0.00 175.10 177.26 1ynn h LYS 72 N 7.82 0.79 -7.44 2.72 -0.00 -1.25 -3.43 116.57 115.78 1ynn h LYS 72 Ca -0.38 -0.17 -0.41 0.00 -0.00 0.00 0.00 60.65 59.69 1ynn h LYS 72 Cb 1.17 -0.11 0.19 0.00 -0.00 0.00 0.00 32.23 33.48 1ynn h LYS 72 CO 0.60 0.73 0.15 -1.21 -0.00 0.00 0.00 179.45 179.72 1ynn s GLU 73 N -5.41 -1.31 0.09 0.07 8.01 -1.26 -5.07 118.70 113.83 1ynn s GLU 73 Ca -0.13 -0.18 0.06 0.00 0.01 0.00 0.00 54.97 54.73 1ynn s GLU 73 Cb 0.12 -1.60 -0.03 0.00 -4.31 0.00 0.00 34.13 28.31 1ynn s GLU 73 CO 0.79 -3.74 -0.16 0.16 0.01 0.00 0.00 175.26 172.31 1ynn s ASP 74 N -4.05 2.01 0.21 -0.19 -4.77 -1.26 -4.58 116.67 104.04 1ynn s ASP 74 Ca 0.72 -0.69 0.13 0.00 -3.30 0.00 0.00 52.55 49.41 1ynn s ASP 74 Cb -0.08 -0.08 0.77 0.00 -1.09 0.00 0.00 42.92 42.44 1ynn s ASP 74 CO 0.56 -0.06 0.88 1.33 0.70 0.00 0.00 175.17 178.58 1ynn n VAL 75 N 1.02 -0.22 0.23 2.11 0.24 -1.21 -0.31 118.33 120.19 1ynn n VAL 75 Ca -0.19 1.11 -0.14 0.00 -2.04 0.00 0.00 64.34 63.09 1ynn n VAL 75 Cb 0.55 -1.81 -0.08 0.00 -1.47 0.00 0.00 33.84 31.03 1ynn n VAL 75 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1ynn h VAL 76 N 0.00 0.44 -0.32 3.34 2.07 -1.86 0.45 116.25 120.38 1ynn h VAL 76 Ca 0.48 -0.48 0.09 0.00 0.82 0.00 0.00 66.70 67.61 1ynn h VAL 76 Cb 1.31 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1ynn h VAL 76 CO -0.40 0.07 0.31 -0.08 0.02 0.00 0.00 177.57 177.49 1ynn h GLU 77 N -0.92 0.00 0.46 1.57 4.57 -1.07 0.59 114.58 119.77 1ynn h GLU 77 Ca -0.06 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1ynn h GLU 77 Cb 0.57 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 1ynn h GLU 77 CO 0.10 0.00 -0.22 0.82 -1.18 0.00 0.00 179.01 178.53 1ynn h ILE 78 N 0.00 0.12 -0.96 2.32 5.03 -1.41 -2.56 117.51 120.05 1ynn h ILE 78 Ca 0.15 -0.57 0.21 0.00 -0.12 0.00 0.00 64.86 64.53 1ynn h ILE 78 Cb 0.77 0.19 -0.08 0.00 -3.03 0.00 0.00 36.82 34.67 1ynn h ILE 78 CO -0.00 0.03 0.62 0.40 -0.68 0.00 0.00 178.15 178.51 1ynn h ILE 79 N -1.12 0.66 0.09 -0.67 2.04 0.17 0.11 117.51 118.79 1ynn h ILE 79 Ca -0.06 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 1ynn h ILE 79 Cb 0.51 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1ynn h ILE 79 CO 0.10 0.10 -0.04 -0.07 0.00 0.00 0.00 178.15 178.24 1ynn h LEU 80 N 0.53 -0.10 -0.90 1.44 3.38 -0.11 -2.87 115.31 116.68 1ynn h LEU 80 Ca 0.53 -0.49 0.24 0.00 0.09 0.00 0.00 57.88 58.26 1ynn h LEU 80 Cb 1.13 0.03 -0.16 0.00 0.09 0.00 0.00 40.66 41.75 1ynn h LEU 80 CO -0.26 0.54 0.12 0.78 0.09 0.00 0.00 178.44 179.71 1ynn h ASN 81 N -0.86 -0.24 -0.39 -0.43 4.21 -0.94 0.31 115.58 117.23 1ynn h ASN 81 Ca -0.01 0.23 0.08 0.00 1.21 0.00 0.00 56.30 57.81 1ynn h ASN 81 Cb 0.58 0.37 -0.09 0.00 -1.12 0.00 0.00 38.32 38.06 1ynn h ASN 81 CO 0.02 -0.25 -0.25 -0.07 -1.29 0.00 0.00 177.43 175.60 1ynn h LEU 82 N 0.10 -0.82 -1.86 1.61 -0.00 -0.81 -1.65 115.31 111.88 1ynn h LEU 82 Ca 0.55 0.17 0.12 0.00 -0.00 0.00 0.00 57.88 58.72 1ynn h LEU 82 Cb 1.13 0.42 -0.03 0.00 -0.00 0.00 0.00 40.66 42.17 1ynn h LEU 82 CO -0.77 -0.27 0.36 0.11 -0.00 0.00 0.00 178.44 177.88 1ynn h LYS 83 N -0.18 0.15 0.00 1.13 1.57 -0.15 0.89 116.57 119.98 1ynn h LYS 83 Ca 0.19 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1ynn h LYS 83 Cb 0.48 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1ynn h LYS 83 CO -0.50 0.10 0.00 0.39 -0.57 0.00 0.00 179.45 178.87 1ynn n GLU 84 N -4.43 0.95 -3.16 3.15 1.02 -0.63 -4.80 120.64 112.75 1ynn n GLU 84 Ca 0.09 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.83 1ynn n GLU 84 Cb 0.48 -1.20 -0.06 0.00 -0.02 0.00 0.00 31.44 30.64 1ynn n GLU 84 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1ynn s LEU 85 N -1.41 4.15 -0.17 -4.62 2.96 0.31 -5.04 118.68 114.86 1ynn s LEU 85 Ca 0.19 0.79 -0.08 0.00 -0.22 0.00 0.00 54.13 54.80 1ynn s LEU 85 Cb 0.08 -2.83 -0.04 0.00 0.50 0.00 0.00 46.19 43.90 1ynn s LEU 85 CO 0.14 -0.23 0.11 -0.69 -1.32 0.00 0.00 176.35 174.37 1ynn s VAL 86 N 1.75 5.25 -0.15 1.68 1.01 -1.26 -4.73 120.40 123.96 1ynn s VAL 86 Ca 0.27 0.13 -0.17 0.00 0.00 0.00 0.00 61.98 62.21 1ynn s VAL 86 Cb -0.16 -3.35 0.04 0.00 0.00 0.00 0.00 36.38 32.92 1ynn s VAL 86 CO 0.10 0.51 0.46 0.54 0.00 0.00 0.00 175.10 176.71 1ynn s VAL 87 N -0.13 0.01 0.13 2.92 0.11 -1.26 -1.99 120.40 120.19 1ynn s VAL 87 Ca 0.09 -0.06 0.10 0.00 -2.93 0.00 0.00 61.98 59.18 1ynn s VAL 87 Cb -0.12 -0.68 -0.04 0.00 -1.53 0.00 0.00 36.38 34.02 1ynn s VAL 87 CO 0.00 -0.03 -0.25 0.00 -3.33 0.00 0.00 175.10 171.49 1ynn s ARG 88 N -0.05 1.34 -0.27 1.54 1.70 -1.20 -4.74 118.95 117.27 1ynn s ARG 88 Ca -0.02 -1.33 -0.12 0.00 -0.47 0.00 0.00 55.73 53.79 1ynn s ARG 88 Cb -0.03 -1.73 -0.05 0.00 -0.57 0.00 0.00 34.95 32.57 1ynn s ARG 88 CO 0.02 0.40 0.24 -0.06 -1.08 0.00 0.00 175.30 174.81 1ynn s PHE 89 N -1.22 3.25 -0.04 5.89 0.40 -1.26 -3.31 117.98 121.68 1ynn s PHE 89 Ca 0.13 0.22 -0.02 0.00 -0.60 0.00 0.00 56.93 56.66 1ynn s PHE 89 Cb -0.09 -2.41 -0.01 0.00 0.51 0.00 0.00 43.02 41.01 1ynn s PHE 89 CO 0.06 -0.13 0.15 -0.07 0.70 0.00 0.00 175.22 175.93 1ynn h LEU 90 N 8.26 -0.07 -8.75 -0.37 3.38 -1.86 -3.43 115.31 112.47 1ynn h LEU 90 Ca -0.35 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 56.99 1ynn h LEU 90 Cb 1.18 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1ynn h LEU 90 CO 0.59 0.16 1.44 -0.67 0.09 0.00 0.00 178.44 180.06 1ynn n ASP 91 N -3.39 2.64 0.00 -0.43 2.03 -1.26 -4.83 116.55 111.31 1ynn n ASP 91 Ca -0.01 0.34 0.09 0.00 0.52 0.00 0.00 54.79 55.73 1ynn n ASP 91 Cb 0.03 -1.39 0.44 0.00 -0.72 0.00 0.00 41.12 39.48 1ynn n ASP 91 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1ynn n PRO 92 N 8.38 0.20 -0.61 -0.67 -0.02 -1.26 -1.74 135.00 139.29 1ynn n PRO 92 Ca 0.36 0.13 0.02 0.00 -2.02 0.00 0.00 63.50 61.99 1ynn n PRO 92 Cb 0.32 -1.50 0.22 0.00 -0.02 0.00 0.00 33.50 32.52 1ynn n PRO 92 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1ynn n LYS 93 N -1.33 2.23 -2.48 -0.52 3.00 -1.26 -5.01 118.16 112.78 1ynn n LYS 93 Ca 0.08 -3.00 -0.41 0.00 -0.00 0.00 0.00 58.31 54.98 1ynn n LYS 93 Cb 0.16 -1.81 -0.04 0.00 0.00 0.00 0.00 35.03 33.35 1ynn n LYS 93 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 1ynn s MET 94 N -3.05 4.56 -0.17 1.64 1.75 -0.71 -4.96 119.30 118.36 1ynn s MET 94 Ca 0.43 1.75 0.06 0.00 -1.25 0.00 0.00 55.69 56.67 1ynn s MET 94 Cb 0.37 -3.28 -0.15 0.00 2.84 0.00 0.00 34.83 34.62 1ynn s MET 94 CO 0.04 0.02 -0.08 0.00 -0.65 0.00 0.00 175.02 174.34 1ynn n ALA 95 N 2.53 1.61 -3.51 4.11 0.00 -1.26 -4.94 120.51 119.06 1ynn n ALA 95 Ca 0.04 -0.88 -0.10 0.00 0.00 0.00 0.00 53.44 52.50 1ynn n ALA 95 Cb 0.46 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.89 1ynn n ALA 95 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ynn s SER 96 N -5.45 -0.41 0.23 0.00 1.04 -1.26 -3.55 113.70 104.29 1ynn s SER 96 Ca -0.19 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.37 1ynn s SER 96 Cb 0.06 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 1ynn s SER 96 CO 0.50 -0.62 0.17 -0.89 0.98 0.00 0.00 173.24 173.39 1ynn s THR 97 N -2.71 0.00 0.01 2.02 2.01 -0.87 -4.99 115.64 111.10 1ynn s THR 97 Ca 0.02 -1.98 0.05 0.00 0.31 0.00 0.00 61.69 60.09 1ynn s THR 97 Cb -0.01 -2.49 -0.01 0.00 0.01 0.00 0.00 72.50 69.99 1ynn s THR 97 CO -0.06 0.00 -0.14 -0.89 -0.69 0.00 0.00 174.62 172.84 1ynn s THR 98 N -4.00 1.11 -0.14 -0.82 2.01 -1.26 -1.69 115.64 110.86 1ynn s THR 98 Ca 0.39 -0.75 -0.01 0.00 0.31 0.00 0.00 61.69 61.63 1ynn s THR 98 Cb 0.06 -0.96 -0.02 0.00 0.01 0.00 0.00 72.50 71.59 1ynn s THR 98 CO 0.15 0.20 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.41 1ynn s LEU 99 N -0.62 2.80 -0.17 4.42 1.02 -0.55 -4.93 118.68 120.66 1ynn s LEU 99 Ca 0.04 -0.30 -0.07 0.00 0.02 0.00 0.00 54.13 53.82 1ynn s LEU 99 Cb -0.06 -1.64 -0.04 0.00 0.02 0.00 0.00 46.19 44.47 1ynn s LEU 99 CO 0.00 0.16 0.06 -0.63 0.02 0.00 0.00 176.35 175.96 1ynn s ILE 100 N 0.39 4.77 -0.14 -0.59 1.01 -1.26 -2.51 121.20 122.86 1ynn s ILE 100 Ca -0.09 -0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.52 1ynn s ILE 100 Cb -0.16 -3.13 0.02 0.00 0.01 0.00 0.00 42.46 39.20 1ynn s ILE 100 CO 0.05 0.49 -0.17 -0.22 0.00 0.00 0.00 174.94 175.09 1ynn s LEU 101 N 0.16 1.84 -0.32 2.97 2.96 -1.15 -0.17 118.68 124.98 1ynn s LEU 101 Ca 0.04 -0.52 -0.09 0.00 -0.22 0.00 0.00 54.13 53.35 1ynn s LEU 101 Cb -0.12 -1.25 0.00 0.00 0.50 0.00 0.00 46.19 45.32 1ynn s LEU 101 CO 0.01 -0.00 0.14 -0.13 -1.32 0.00 0.00 176.35 175.04 1ynn s ARG 102 N 1.21 3.16 -0.27 1.98 1.81 -1.26 -3.29 118.95 122.29 1ynn s ARG 102 Ca 0.00 -0.83 -0.07 0.00 -1.72 0.00 0.00 55.73 53.11 1ynn s ARG 102 Cb -0.14 -3.53 -0.00 0.00 -0.45 0.00 0.00 34.95 30.83 1ynn s ARG 102 CO -0.07 -0.47 0.07 0.00 -0.68 0.00 0.00 175.30 174.14 1ynn s ALA 103 N 1.56 3.08 0.78 2.13 0.00 -1.23 -4.97 121.76 123.11 1ynn s ALA 103 Ca 0.03 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.67 1ynn s ALA 103 Cb -0.17 -2.09 0.00 0.00 0.00 0.00 0.00 23.12 20.86 1ynn s ALA 103 CO 0.05 -0.74 0.00 -1.91 0.00 0.00 0.00 175.76 173.16 1ynn n GLU 104 N 4.88 2.99 0.00 0.00 4.07 -1.26 -4.44 120.64 126.88 1ynn n GLU 104 Ca -0.15 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.95 1ynn n GLU 104 Cb 0.49 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.87 1ynn n GLU 104 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ynn n GLY 105 N 3.86 0.13 3.62 8.31 0.00 -1.26 -4.07 105.19 115.78 1ynn n GLY 105 Ca 0.00 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 1ynn n GLY 105 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ynn s PRO 106 N 0.00 3.59 0.01 1.61 0.02 -1.22 -4.34 135.00 134.68 1ynn s PRO 106 Ca 0.00 1.80 -0.29 0.00 0.02 0.00 0.00 61.00 62.54 1ynn s PRO 106 Cb 0.00 -4.16 0.10 0.00 0.02 0.00 0.00 34.50 30.46 1ynn s PRO 106 CO 0.00 -1.55 0.94 0.21 -0.33 0.00 0.00 177.00 176.27 1ynn s LYS 107 N 5.22 0.84 -0.22 5.54 2.20 -1.13 -5.04 119.74 127.14 1ynn s LYS 107 Ca 0.81 -0.35 -0.10 0.00 -0.36 0.00 0.00 55.97 55.97 1ynn s LYS 107 Cb -0.28 0.36 -0.05 0.00 -1.51 0.00 0.00 37.83 36.35 1ynn s LYS 107 CO 0.33 -0.37 0.15 -1.21 -0.36 0.00 0.00 175.35 173.89 1ynn s GLU 108 N -3.07 4.12 -0.40 4.03 2.02 -1.26 -2.81 118.70 121.32 1ynn s GLU 108 Ca 0.07 -0.25 -0.15 0.00 0.02 0.00 0.00 54.97 54.66 1ynn s GLU 108 Cb -0.01 -3.49 0.01 0.00 0.10 0.00 0.00 34.13 30.75 1ynn s GLU 108 CO -0.06 0.16 0.30 0.08 0.02 0.00 0.00 175.26 175.75 1ynn s VAL 109 N 0.78 5.25 0.69 2.63 1.01 -0.24 -5.03 120.40 125.48 1ynn s VAL 109 Ca 0.08 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 1ynn s VAL 109 Cb -0.12 -3.90 0.09 0.00 0.00 0.00 0.00 36.38 32.44 1ynn s VAL 109 CO 0.02 -0.26 0.96 0.00 0.00 0.00 0.00 175.10 175.82 1ynn s ARG 110 N 1.73 1.99 0.44 2.72 1.70 -1.26 -2.62 118.95 123.64 1ynn s ARG 110 Ca 0.06 -0.71 0.18 0.00 -0.47 0.00 0.00 55.73 54.79 1ynn s ARG 110 Cb -0.19 -2.29 1.03 0.00 -0.57 0.00 0.00 34.95 32.94 1ynn s ARG 110 CO 0.10 -1.26 1.95 0.00 -1.08 0.00 0.00 175.30 175.02 1ynn h ALA 111 N -0.47 1.45 0.00 7.88 0.00 -1.55 -2.66 119.26 123.92 1ynn h ALA 111 Ca -0.41 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1ynn h ALA 111 Cb 1.29 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1ynn h ALA 111 CO 0.49 0.29 0.00 0.41 0.00 0.00 0.00 179.25 180.44 1ynn n GLY 112 N -0.70 -1.53 0.07 0.00 0.00 -1.09 -2.79 105.19 99.15 1ynn n GLY 112 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1ynn n GLY 112 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ynn n ASP 113 N -2.08 0.12 -4.04 1.61 10.43 -1.00 -4.78 116.55 116.80 1ynn n ASP 113 Ca 0.05 -1.73 -0.30 0.00 2.57 0.00 0.00 54.79 55.38 1ynn n ASP 113 Cb 0.35 -0.06 0.20 0.00 1.84 0.00 0.00 41.12 43.45 1ynn n ASP 113 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 1ynn s PHE 114 N -1.87 1.34 0.07 1.24 0.40 -1.12 -4.14 117.98 113.91 1ynn s PHE 114 Ca 0.00 0.32 -0.31 0.00 -0.60 0.00 0.00 56.93 56.34 1ynn s PHE 114 Cb 0.00 -4.05 -0.08 0.00 0.51 0.00 0.00 43.02 39.40 1ynn s PHE 114 CO 0.00 -2.90 1.66 -0.08 0.70 0.00 0.00 175.22 174.60 1ynn s THR 115 N -3.77 3.01 0.00 0.64 -1.32 0.76 -4.89 115.64 110.08 1ynn s THR 115 Ca 0.74 0.47 -0.03 0.00 -1.21 0.00 0.00 61.69 61.66 1ynn s THR 115 Cb -0.04 -3.30 -0.16 0.00 -1.51 0.00 0.00 72.50 67.49 1ynn s THR 115 CO 0.54 -0.00 2.62 -2.65 -2.21 0.00 0.00 174.62 172.92 1ynn n PRO 116 N 5.58 1.38 -2.52 7.08 -0.02 -1.26 -4.90 135.00 140.35 1ynn n PRO 116 Ca 0.16 -0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 60.65 1ynn n PRO 116 Cb 0.40 -1.67 -0.03 0.00 -0.02 0.00 0.00 33.50 32.18 1ynn n PRO 116 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1ynn s SER 117 N 2.14 7.20 0.00 2.55 0.15 -1.26 -5.06 113.70 119.42 1ynn s SER 117 Ca 0.39 1.95 0.00 0.00 0.70 0.00 0.00 55.95 58.98 1ynn s SER 117 Cb 0.18 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1ynn s SER 117 CO 0.00 -0.35 0.00 0.00 1.20 0.00 0.00 173.24 174.09 1ynn n ALA 118 N 3.51 0.00 -0.36 5.45 0.00 -1.26 -4.15 120.51 123.70 1ynn n ALA 118 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1ynn n ALA 118 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1ynn n ALA 118 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ynn n ASP 119 N 0.00 -1.25 -3.15 0.00 5.75 -1.26 -4.78 116.55 111.86 1ynn n ASP 119 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 54.79 54.82 1ynn n ASP 119 Cb 0.00 -1.59 -0.01 0.00 -1.03 0.00 0.00 41.12 38.49 1ynn n ASP 119 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1ynn s VAL 120 N -0.51 -0.97 -0.23 2.12 1.01 -1.26 -2.28 120.40 118.27 1ynn s VAL 120 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.88 1ynn s VAL 120 Cb 0.00 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 35.34 1ynn s VAL 120 CO 0.00 0.00 0.14 -0.70 0.00 0.00 0.00 175.10 174.54 1ynn s GLU 121 N 2.85 4.03 -0.57 2.72 2.12 -1.21 -4.80 118.70 123.85 1ynn s GLU 121 Ca 0.17 -0.30 -0.27 0.00 0.36 0.00 0.00 54.97 54.94 1ynn s GLU 121 Cb -0.13 -3.47 0.03 0.00 0.26 0.00 0.00 34.13 30.82 1ynn s GLU 121 CO -0.22 0.08 1.10 0.42 -0.54 0.00 0.00 175.26 176.09 1ynn s ILE 122 N 0.99 4.16 0.36 -3.70 1.09 -1.26 -3.21 121.20 119.64 1ynn s ILE 122 Ca 0.07 0.68 0.04 0.00 -1.10 0.00 0.00 60.65 60.34 1ynn s ILE 122 Cb -0.13 -4.65 0.27 0.00 -1.06 0.00 0.00 42.46 36.89 1ynn s ILE 122 CO 0.04 -1.25 2.00 0.24 -0.10 0.00 0.00 174.94 175.87 1ynn h MET 123 N 9.45 0.75 -2.14 2.79 2.86 -1.78 -3.33 114.93 123.52 1ynn h MET 123 Ca -0.25 -0.05 -0.56 0.00 -2.06 0.00 0.00 59.70 56.78 1ynn h MET 123 Cb 1.06 -0.17 -0.41 0.00 0.06 0.00 0.00 31.60 32.14 1ynn h MET 123 CO 1.15 0.50 -0.85 0.27 1.06 0.00 0.00 176.91 179.04 1ynn n ASN 124 N -4.46 2.67 0.00 1.22 6.94 -1.25 -4.96 115.26 115.42 1ynn n ASN 124 Ca 0.07 -3.29 0.08 0.00 -0.02 0.00 0.00 54.58 51.42 1ynn n ASN 124 Cb 0.10 -0.61 0.41 0.00 -2.36 0.00 0.00 39.78 37.32 1ynn n ASN 124 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1ynn n PRO 125 N 0.42 0.14 -1.92 -0.53 -0.04 -1.25 -3.23 135.00 128.59 1ynn n PRO 125 Ca 0.28 0.16 -0.38 0.00 -0.04 0.00 0.00 63.50 63.51 1ynn n PRO 125 Cb 0.49 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.47 1ynn n PRO 125 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ynn n ASP 126 N -1.38 7.37 -4.81 3.54 8.00 -1.26 -2.66 116.55 125.35 1ynn n ASP 126 Ca 0.06 -3.71 -0.32 0.00 0.71 0.00 0.00 54.79 51.53 1ynn n ASP 126 Cb 0.17 -1.11 -0.06 0.00 -0.02 0.00 0.00 41.12 40.09 1ynn n ASP 126 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1ynn s LEU 127 N -3.77 3.95 0.22 0.64 2.96 -1.20 -4.97 118.68 116.51 1ynn s LEU 127 Ca 0.52 0.11 0.25 0.00 -0.22 0.00 0.00 54.13 54.79 1ynn s LEU 127 Cb 0.40 -2.48 0.89 0.00 0.50 0.00 0.00 46.19 45.50 1ynn s LEU 127 CO -0.36 0.22 1.75 1.57 -1.32 0.00 0.00 176.35 178.22 1ynn n HIS 128 N 0.75 0.84 0.00 5.38 -0.00 -1.26 -2.42 115.22 118.51 1ynn n HIS 128 Ca -0.10 0.27 0.00 0.00 0.46 0.00 0.00 57.72 58.36 1ynn n HIS 128 Cb 0.52 -0.95 0.00 0.00 -0.12 0.00 0.00 29.99 29.44 1ynn n HIS 128 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1ynn n ILE 129 N -2.21 0.00 -3.64 3.57 2.08 -1.24 -4.49 119.36 113.43 1ynn n ILE 129 Ca 0.04 0.00 -0.06 0.00 0.56 0.00 0.00 62.75 63.29 1ynn n ILE 129 Cb 0.35 0.00 -0.02 0.00 -0.75 0.00 0.00 39.64 39.22 1ynn n ILE 129 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ynn s ALA 130 N -0.56 -1.73 -0.05 -1.39 0.00 -1.08 -4.48 121.76 112.47 1ynn s ALA 130 Ca 0.00 0.52 0.03 0.00 0.00 0.00 0.00 51.96 52.51 1ynn s ALA 130 Cb 0.00 0.55 0.01 0.00 0.00 0.00 0.00 23.12 23.68 1ynn s ALA 130 CO 0.00 -0.88 -0.13 0.99 0.00 0.00 0.00 175.76 175.74 1ynn s THR 131 N -3.23 1.13 0.03 0.00 2.01 -1.26 -1.07 115.64 113.24 1ynn s THR 131 Ca 0.09 -0.51 0.08 0.00 0.31 0.00 0.00 61.69 61.65 1ynn s THR 131 Cb -0.01 -1.01 -0.03 0.00 0.01 0.00 0.00 72.50 71.46 1ynn s THR 131 CO -0.03 0.34 -0.21 -1.48 -0.69 0.00 0.00 174.62 172.55 1ynn s LEU 132 N 0.39 2.41 0.00 4.42 -0.00 -1.12 -0.82 118.68 123.96 1ynn s LEU 132 Ca -0.09 -0.46 0.00 0.00 -0.00 0.00 0.00 54.13 53.58 1ynn s LEU 132 Cb -0.13 -1.43 0.00 0.00 -0.00 0.00 0.00 46.19 44.64 1ynn s LEU 132 CO 0.03 0.27 0.00 -0.62 -0.00 0.00 0.00 176.35 176.03 1ynn n GLU 133 N 1.80 3.33 -3.17 1.48 4.71 0.21 -2.85 120.64 126.15 1ynn n GLU 133 Ca -0.16 0.00 -0.39 0.00 -0.01 0.00 0.00 57.16 56.60 1ynn n GLU 133 Cb 0.52 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 30.89 1ynn n GLU 133 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1ynn s GLU 134 N 0.00 4.33 -0.63 3.49 0.41 -1.26 -3.40 118.70 121.65 1ynn s GLU 134 Ca 0.00 0.88 -0.03 0.00 -0.41 0.00 0.00 54.97 55.41 1ynn s GLU 134 Cb 0.00 -3.26 -0.04 0.00 -1.78 0.00 0.00 34.13 29.05 1ynn s GLU 134 CO 0.00 0.59 0.55 0.41 -0.49 0.00 0.00 175.26 176.32 1ynn n GLY 135 N 1.74 -0.32 3.41 -1.39 0.00 -1.26 -4.88 105.19 102.48 1ynn n GLY 135 Ca -0.08 0.23 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 1ynn n GLY 135 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ynn s GLY 136 N -3.24 1.80 -0.33 -0.02 0.00 -1.25 -4.80 107.32 99.47 1ynn s GLY 136 Ca 0.27 -1.99 -0.06 0.00 0.00 0.00 0.00 44.72 42.94 1ynn s GLY 136 CO 0.44 1.49 0.09 0.54 0.00 0.00 0.00 173.10 175.66 1ynn s LYS 137 N 2.57 2.64 -0.14 2.90 -0.14 -1.26 -4.44 119.74 121.88 1ynn s LYS 137 Ca 0.13 -1.16 -0.04 0.00 -1.36 0.00 0.00 55.97 53.54 1ynn s LYS 137 Cb -0.22 -3.42 0.06 0.00 -1.68 0.00 0.00 37.83 32.57 1ynn s LYS 137 CO 0.09 -0.64 0.12 -1.17 -0.76 0.00 0.00 175.35 172.99 1ynn s LEU 138 N 1.40 0.15 -0.03 3.17 2.96 -1.26 -4.92 118.68 120.13 1ynn s LEU 138 Ca -0.02 -0.25 0.02 0.00 -0.22 0.00 0.00 54.13 53.67 1ynn s LEU 138 Cb -0.19 -0.02 -0.03 0.00 0.50 0.00 0.00 46.19 46.45 1ynn s LEU 138 CO 0.02 -0.31 -0.06 -0.47 -1.32 0.00 0.00 176.35 174.22 1ynn s TYR 139 N 2.21 2.94 0.03 5.38 5.04 -1.26 -3.51 117.35 128.17 1ynn s TYR 139 Ca 0.04 0.01 0.03 0.00 -2.44 0.00 0.00 57.07 54.70 1ynn s TYR 139 Cb -0.15 -1.67 -0.02 0.00 0.35 0.00 0.00 41.96 40.48 1ynn s TYR 139 CO -0.08 0.37 -0.08 -1.64 -1.34 0.00 0.00 175.55 172.78 1ynn s MET 140 N -1.14 0.58 -0.34 4.97 -1.94 -1.21 -2.48 119.30 117.74 1ynn s MET 140 Ca 0.15 -0.57 0.01 0.00 -1.71 0.00 0.00 55.69 53.57 1ynn s MET 140 Cb -0.11 -0.46 0.14 0.00 2.01 0.00 0.00 34.83 36.41 1ynn s MET 140 CO 0.05 0.11 0.28 -1.21 -0.01 0.00 0.00 175.02 174.23 1ynn s GLU 141 N -1.01 0.51 -0.21 2.03 2.02 -0.19 -2.92 118.70 118.94 1ynn s GLU 141 Ca -0.04 -0.88 -0.06 0.00 0.02 0.00 0.00 54.97 54.01 1ynn s GLU 141 Cb -0.07 -0.96 -0.03 0.00 0.10 0.00 0.00 34.13 33.17 1ynn s GLU 141 CO 0.00 -1.16 0.04 0.14 0.02 0.00 0.00 175.26 174.30 1ynn s VAL 142 N 1.52 4.30 -0.05 2.63 -7.23 -1.05 -2.02 120.40 118.50 1ynn s VAL 142 Ca 0.15 -0.19 -0.29 0.00 -1.81 0.00 0.00 61.98 59.83 1ynn s VAL 142 Cb -0.18 -2.96 -0.02 0.00 0.56 0.00 0.00 36.38 33.78 1ynn s VAL 142 CO -0.10 0.42 0.98 -0.60 -0.31 0.00 0.00 175.10 175.48 1ynn s ARG 143 N 0.94 4.49 -0.08 4.82 3.52 0.16 -1.48 118.95 131.32 1ynn s ARG 143 Ca 0.03 1.37 -0.01 0.00 -0.13 0.00 0.00 55.73 56.99 1ynn s ARG 143 Cb -0.14 -3.50 -0.03 0.00 -1.56 0.00 0.00 34.95 29.72 1ynn s ARG 143 CO 0.02 -0.17 -0.01 0.08 -0.81 0.00 0.00 175.30 174.42 1ynn s VAL 144 N 1.46 4.22 0.00 7.11 1.01 -0.68 0.76 120.40 134.29 1ynn s VAL 144 Ca 0.49 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 62.16 1ynn s VAL 144 Cb -0.20 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 1ynn s VAL 144 CO 0.23 0.60 0.03 -0.62 0.00 0.00 0.00 175.10 175.34 1ynn s ASP 145 N -0.90 0.11 -0.10 3.32 -1.08 -0.79 -2.05 116.67 115.18 1ynn s ASP 145 Ca 0.13 -0.26 -0.23 0.00 -0.52 0.00 0.00 52.55 51.68 1ynn s ASP 145 Cb -0.11 0.13 -0.03 0.00 -1.46 0.00 0.00 42.92 41.44 1ynn s ASP 145 CO 0.02 -0.24 0.68 -0.13 0.52 0.00 0.00 175.17 176.03 1ynn s ARG 146 N -1.02 4.39 0.00 4.34 0.52 -1.23 -1.99 118.95 123.96 1ynn s ARG 146 Ca -0.11 0.82 0.00 0.00 -0.52 0.00 0.00 55.73 55.92 1ynn s ARG 146 Cb -0.07 -3.47 0.00 0.00 0.52 0.00 0.00 34.95 31.93 1ynn s ARG 146 CO -0.00 -0.00 0.00 0.41 0.02 0.00 0.00 175.30 175.73 1ynn n GLY 147 N 3.24 2.76 0.59 -3.53 0.00 -0.78 -5.02 105.19 102.44 1ynn n GLY 147 Ca -0.01 -1.24 -0.04 0.00 0.00 0.00 0.00 46.02 44.73 1ynn n GLY 147 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ynn n VAL 148 N 0.00 1.17 0.00 1.61 0.31 -1.26 -2.29 118.33 117.87 1ynn n VAL 148 Ca 0.00 0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 1ynn n VAL 148 Cb 0.00 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 31.08 1ynn n VAL 148 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ynn n GLY 149 N 2.54 1.42 2.89 2.92 0.00 -1.14 -4.33 105.19 109.50 1ynn n GLY 149 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 1ynn n GLY 149 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ynn s TYR 150 N 2.46 2.56 -0.35 1.61 5.04 -1.26 -3.35 117.35 124.06 1ynn s TYR 150 Ca 0.00 -2.11 -0.00 0.00 -2.44 0.00 0.00 57.07 52.52 1ynn s TYR 150 Cb 0.00 -2.02 0.09 0.00 0.35 0.00 0.00 41.96 40.38 1ynn s TYR 150 CO 0.00 -0.86 0.08 0.08 -1.34 0.00 0.00 175.55 173.51 1ynn s VAL 151 N 1.33 2.81 1.08 3.14 1.01 -0.76 -5.01 120.40 124.00 1ynn s VAL 151 Ca 0.04 -1.92 -0.16 0.00 0.00 0.00 0.00 61.98 59.94 1ynn s VAL 151 Cb -0.18 -2.86 0.23 0.00 0.00 0.00 0.00 36.38 33.57 1ynn s VAL 151 CO -0.13 -0.44 1.15 -2.16 0.00 0.00 0.00 175.10 173.51 1ynn s PRO 152 N 1.10 -0.29 0.40 2.72 0.04 -1.26 -2.33 135.00 135.38 1ynn s PRO 152 Ca 0.04 0.02 0.18 0.00 0.04 0.00 0.00 61.00 61.28 1ynn s PRO 152 Cb -0.21 -1.70 0.84 0.00 0.04 0.00 0.00 34.50 33.48 1ynn s PRO 152 CO -0.05 -3.11 1.83 0.00 0.04 0.00 0.00 177.00 175.72 1ynn h ALA 153 N -2.15 1.18 -0.47 8.56 0.00 -1.88 -3.22 119.26 121.28 1ynn h ALA 153 Ca -0.47 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.09 1ynn h ALA 153 Cb 1.30 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1ynn h ALA 153 CO 0.43 0.41 0.11 0.93 0.00 0.00 0.00 179.25 181.13 1ynn h GLU 154 N 0.00 0.71 0.00 0.00 4.39 -1.92 -3.25 114.58 114.52 1ynn h GLU 154 Ca -0.00 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 1ynn h GLU 154 Cb 0.71 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1ynn h GLU 154 CO 0.04 0.65 -0.00 0.00 -1.16 0.00 0.00 179.01 178.54 1ynn h ARG 155 N 0.69 -0.01 0.16 2.33 3.08 -1.93 -3.42 114.38 115.28 1ynn h ARG 155 Ca 0.15 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1ynn h ARG 155 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1ynn h ARG 155 CO -0.00 -0.00 -0.08 1.12 -1.07 0.00 0.00 179.97 179.94 1ynn h HIS 156 N -0.75 -0.20 -3.94 3.04 2.07 -1.71 -3.49 115.15 110.17 1ynn h HIS 156 Ca -0.00 -0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.39 1ynn h HIS 156 Cb 0.00 0.07 0.08 0.00 2.57 0.00 0.00 27.41 30.14 1ynn h HIS 156 CO 0.00 0.21 -0.37 0.41 -3.07 0.00 0.00 177.93 175.11 1ynn n GLY 157 N 0.16 0.02 3.58 6.13 0.00 -1.22 -4.91 105.19 108.96 1ynn n GLY 157 Ca -0.09 0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 1ynn n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ynn s ILE 158 N -3.17 3.05 0.15 -0.61 -1.09 -1.26 -4.96 121.20 113.31 1ynn s ILE 158 Ca 0.14 0.04 -0.24 0.00 -2.23 0.00 0.00 60.65 58.37 1ynn s ILE 158 Cb -0.02 -3.08 -0.08 0.00 -1.58 0.00 0.00 42.46 37.71 1ynn s ILE 158 CO 0.33 -0.06 0.73 -0.54 -1.23 0.00 0.00 174.94 174.17 1ynn s LYS 159 N 7.00 4.48 0.20 2.79 3.01 -1.26 -4.60 119.74 131.36 1ynn s LYS 159 Ca 0.97 1.06 0.00 0.00 -1.01 0.00 0.00 55.97 56.99 1ynn s LYS 159 Cb -0.26 -3.23 0.00 0.00 -1.01 0.00 0.00 37.83 33.33 1ynn s LYS 159 CO 0.31 0.57 0.00 -3.47 0.51 0.00 0.00 175.35 173.28 1ynn n ASP 160 N 1.55 -0.70 0.00 2.83 2.03 -1.26 -5.13 116.55 115.86 1ynn n ASP 160 Ca -0.06 0.36 0.00 0.00 0.52 0.00 0.00 54.79 55.61 1ynn n ASP 160 Cb 0.49 0.81 0.00 0.00 -0.72 0.00 0.00 41.12 41.70 1ynn n ASP 160 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ynn n ARG 161 N -3.09 3.84 0.00 -0.67 1.74 -1.26 -5.08 116.66 112.14 1ynn n ARG 161 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1ynn n ARG 161 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1ynn n ARG 161 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1ynn n ILE 162 N 0.00 0.00 0.39 0.55 -0.00 -1.26 -4.61 119.36 114.43 1ynn n ILE 162 Ca 0.00 -0.35 0.06 0.00 -0.00 0.00 0.00 62.75 62.46 1ynn n ILE 162 Cb 0.00 0.87 0.07 0.00 -0.00 0.00 0.00 39.64 40.57 1ynn n ILE 162 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 1ynn n ASN 163 N -1.06 2.16 -4.76 4.38 3.02 -1.26 -4.97 115.26 112.77 1ynn n ASN 163 Ca 0.00 -1.58 -0.40 0.00 -0.03 0.00 0.00 54.58 52.57 1ynn n ASN 163 Cb 0.00 -0.04 -0.05 0.00 -0.61 0.00 0.00 39.78 39.08 1ynn n ASN 163 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ynn s ALA 164 N -1.00 3.41 -0.14 5.41 0.00 -1.26 -4.49 121.76 123.69 1ynn s ALA 164 Ca 0.16 0.30 -0.02 0.00 0.00 0.00 0.00 51.96 52.40 1ynn s ALA 164 Cb 0.10 -2.96 -0.02 0.00 0.00 0.00 0.00 23.12 20.24 1ynn s ALA 164 CO 0.15 0.17 -0.09 0.96 0.00 0.00 0.00 175.76 176.95 1ynn s ILE 165 N -0.53 3.41 0.33 0.00 -4.36 0.28 -4.87 121.20 115.46 1ynn s ILE 165 Ca 0.37 -0.53 -0.27 0.00 -0.26 0.00 0.00 60.65 59.96 1ynn s ILE 165 Cb -0.21 -2.46 -0.09 0.00 1.25 0.00 0.00 42.46 40.94 1ynn s ILE 165 CO 0.24 0.51 1.06 -2.16 0.24 0.00 0.00 174.94 174.83 1ynn s PRO 166 N 0.34 4.43 0.42 0.37 0.04 -1.26 -1.34 135.00 137.99 1ynn s PRO 166 Ca -0.08 1.62 0.07 0.00 0.04 0.00 0.00 61.00 62.66 1ynn s PRO 166 Cb -0.15 -2.88 -0.05 0.00 0.04 0.00 0.00 34.50 31.47 1ynn s PRO 166 CO 0.05 0.07 0.22 0.14 0.04 0.00 0.00 177.00 177.52 1ynn s VAL 167 N -1.42 2.35 0.18 -0.36 -7.23 -0.34 -4.84 120.40 108.74 1ynn s VAL 167 Ca 0.51 -1.63 -0.30 0.00 -1.81 0.00 0.00 61.98 58.74 1ynn s VAL 167 Cb -0.26 -2.98 -0.08 0.00 0.56 0.00 0.00 36.38 33.62 1ynn s VAL 167 CO 0.33 0.00 1.22 -1.81 -0.31 0.00 0.00 175.10 174.53 1ynn s ASP 168 N -3.95 7.05 -0.40 4.85 1.01 -1.26 -3.64 116.67 120.33 1ynn s ASP 168 Ca 0.42 2.25 -0.09 0.00 0.71 0.00 0.00 52.55 55.84 1ynn s ASP 168 Cb 0.03 -2.60 0.07 0.00 1.01 0.00 0.00 42.92 41.42 1ynn s ASP 168 CO 0.23 -0.41 0.22 0.00 0.21 0.00 0.00 175.17 175.42 1ynn s ALA 169 N 0.09 3.24 -0.71 5.23 0.00 -0.98 -4.84 121.76 123.78 1ynn s ALA 169 Ca 0.54 -2.05 -0.02 0.00 0.00 0.00 0.00 51.96 50.43 1ynn s ALA 169 Cb -0.33 -2.56 0.37 0.00 0.00 0.00 0.00 23.12 20.60 1ynn s ALA 169 CO 0.36 -1.58 2.08 0.44 0.00 0.00 0.00 175.76 177.07 1ynn n ILE 170 N 4.89 3.55 -2.24 0.00 -6.64 -1.26 -1.84 119.36 115.83 1ynn n ILE 170 Ca -0.10 -3.43 -0.35 0.00 -1.77 0.00 0.00 62.75 57.09 1ynn n ILE 170 Cb 0.43 -1.23 -0.04 0.00 -1.44 0.00 0.00 39.64 37.37 1ynn n ILE 170 CO 0.00 0.00 0.00 0.72 -1.77 0.00 0.00 176.55 175.50 1ynn s PHE 171 N -3.69 1.99 -0.35 4.28 -0.12 -1.21 -4.61 117.98 114.28 1ynn s PHE 171 Ca 0.57 0.26 -0.06 0.00 -0.05 0.00 0.00 56.93 57.65 1ynn s PHE 171 Cb 0.46 -4.29 0.19 0.00 -0.63 0.00 0.00 43.02 38.75 1ynn s PHE 171 CO -0.19 -2.00 1.00 0.45 -0.05 0.00 0.00 175.22 174.43 1ynn s SER 172 N 6.70 -0.49 0.63 1.98 0.15 -1.24 -2.89 113.70 118.53 1ynn s SER 172 Ca 0.58 -0.35 0.18 0.00 0.70 0.00 0.00 55.95 57.06 1ynn s SER 172 Cb -0.07 0.63 0.75 0.00 -1.71 0.00 0.00 66.02 65.62 1ynn s SER 172 CO 0.06 -0.04 1.35 1.55 1.20 0.00 0.00 173.24 177.36 1ynn h PRO 173 N 5.24 0.00 -5.98 5.44 0.13 -1.82 -3.35 132.00 131.67 1ynn h PRO 173 Ca -0.01 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.54 1ynn h PRO 173 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 1ynn h PRO 173 CO -0.06 0.00 0.28 0.14 -0.23 0.00 0.00 178.00 178.13 1ynn s VAL 174 N -4.25 4.94 -1.21 1.56 -7.23 -1.26 -1.15 120.40 111.79 1ynn s VAL 174 Ca -0.02 1.57 0.10 0.00 -1.81 0.00 0.00 61.98 61.83 1ynn s VAL 174 Cb 0.08 -4.11 0.13 0.00 0.56 0.00 0.00 36.38 33.04 1ynn s VAL 174 CO 0.28 0.11 0.92 -2.11 -0.31 0.00 0.00 175.10 173.99 1ynn n ARG 175 N 4.71 0.96 -3.57 4.82 1.85 0.16 -4.92 116.66 120.67 1ynn n ARG 175 Ca 0.02 -1.31 0.01 0.00 -1.00 0.00 0.00 57.85 55.58 1ynn n ARG 175 Cb 0.50 -1.21 -0.06 0.00 -1.05 0.00 0.00 32.46 30.64 1ynn n ARG 175 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1ynn s ARG 176 N -0.90 0.14 -0.04 2.89 3.52 -1.05 -5.01 118.95 118.50 1ynn s ARG 176 Ca 0.14 0.26 0.01 0.00 -0.13 0.00 0.00 55.73 56.01 1ynn s ARG 176 Cb 0.09 0.06 0.02 0.00 -1.56 0.00 0.00 34.95 33.57 1ynn s ARG 176 CO 0.13 -0.03 -0.02 0.08 -0.81 0.00 0.00 175.30 174.65 1ynn s VAL 177 N 1.34 0.40 -0.06 7.11 1.01 -1.26 -0.10 120.40 128.84 1ynn s VAL 177 Ca -0.07 -0.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 1ynn s VAL 177 Cb -0.03 -0.47 0.03 0.00 0.00 0.00 0.00 36.38 35.92 1ynn s VAL 177 CO -0.12 0.21 0.14 0.00 0.00 0.00 0.00 175.10 175.32 1ynn s ALA 178 N 1.09 -0.28 0.17 5.51 0.00 -0.51 -5.02 121.76 122.71 1ynn s ALA 178 Ca -0.09 0.61 0.06 0.00 0.00 0.00 0.00 51.96 52.54 1ynn s ALA 178 Cb -0.14 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 1ynn s ALA 178 CO -0.01 -0.13 -0.12 -0.59 0.00 0.00 0.00 175.76 174.90 1ynn s PHE 179 N 0.92 1.47 -0.03 0.00 -0.12 -1.26 -0.78 117.98 118.17 1ynn s PHE 179 Ca -0.07 -0.65 -0.10 0.00 -0.05 0.00 0.00 56.93 56.05 1ynn s PHE 179 Cb -0.09 -0.72 0.02 0.00 -0.63 0.00 0.00 43.02 41.60 1ynn s PHE 179 CO -0.05 0.20 0.23 -1.14 -0.05 0.00 0.00 175.22 174.42 1ynn s GLN 180 N -3.55 0.49 -0.51 1.99 0.74 -0.96 -5.02 119.66 112.84 1ynn s GLN 180 Ca 0.18 -0.11 0.04 0.00 0.05 0.00 0.00 55.36 55.52 1ynn s GLN 180 Cb 0.00 0.21 0.16 0.00 1.10 0.00 0.00 33.01 34.49 1ynn s GLN 180 CO 0.03 -0.11 0.37 0.54 -0.55 0.00 0.00 175.29 175.57 1ynn s VAL 181 N -0.91 1.31 0.67 1.34 0.11 -1.26 -1.87 120.40 119.79 1ynn s VAL 181 Ca -0.10 -3.13 -0.11 0.00 -2.93 0.00 0.00 61.98 55.71 1ynn s VAL 181 Cb -0.05 -1.88 0.16 0.00 -1.53 0.00 0.00 36.38 33.07 1ynn s VAL 181 CO 0.02 -1.10 0.83 -1.84 -3.33 0.00 0.00 175.10 169.68 1ynn n GLU 182 N 2.71 -1.19 -3.93 1.54 0.28 -1.10 -4.74 120.64 114.20 1ynn n GLU 182 Ca 0.23 -1.29 -0.21 0.00 -0.16 0.00 0.00 57.16 55.73 1ynn n GLU 182 Cb 0.41 -0.93 -0.17 0.00 1.43 0.00 0.00 31.44 32.19 1ynn n GLU 182 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 1ynn s ASP 183 N -4.00 1.15 -0.07 -1.84 -4.77 -1.26 0.61 116.67 106.49 1ynn s ASP 183 Ca 0.48 -0.09 -0.04 0.00 -3.30 0.00 0.00 52.55 49.61 1ynn s ASP 183 Cb -0.02 -0.40 -0.04 0.00 -1.09 0.00 0.00 42.92 41.37 1ynn s ASP 183 CO 0.35 -0.13 0.10 0.42 0.70 0.00 0.00 175.17 176.60 1ynn s THR 184 N 1.44 5.02 0.52 2.11 -4.23 0.63 -4.80 115.64 116.32 1ynn s THR 184 Ca -0.03 -0.10 -0.22 0.00 -1.18 0.00 0.00 61.69 60.16 1ynn s THR 184 Cb -0.13 -3.22 -0.06 0.00 1.34 0.00 0.00 72.50 70.43 1ynn s THR 184 CO -0.03 0.51 1.25 -0.60 -0.54 0.00 0.00 174.62 175.22 1ynn s ARG 185 N -1.28 3.36 -0.40 3.99 3.52 -1.24 -2.30 118.95 124.60 1ynn s ARG 185 Ca 0.18 1.96 0.04 0.00 -0.13 0.00 0.00 55.73 57.78 1ynn s ARG 185 Cb -0.12 -2.25 0.16 0.00 -1.56 0.00 0.00 34.95 31.18 1ynn s ARG 185 CO 0.08 -0.93 0.43 -1.17 -0.81 0.00 0.00 175.30 172.90 1ynn s LEU 186 N -3.42 -0.00 0.00 -0.88 0.20 1.24 -4.93 118.68 110.89 1ynn s LEU 186 Ca 0.69 -1.91 0.00 0.00 0.69 0.00 0.00 54.13 53.60 1ynn s LEU 186 Cb -0.34 0.60 0.00 0.00 -0.43 0.00 0.00 46.19 46.02 1ynn s LEU 186 CO 0.39 -0.20 0.00 0.61 -0.29 0.00 0.00 176.35 176.86 1ynn n GLY 187 N 3.73 2.33 0.30 7.98 0.00 -1.26 -2.38 105.19 115.90 1ynn n GLY 187 Ca 0.16 -0.33 0.18 0.00 0.00 0.00 0.00 46.02 46.03 1ynn n GLY 187 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1ynn h GLN 188 N 0.00 0.00 -5.41 1.61 4.20 -2.03 -3.42 115.11 110.06 1ynn h GLN 188 Ca 0.00 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.10 1ynn h GLN 188 Cb 0.00 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 27.66 1ynn h GLN 188 CO 0.00 0.02 -0.02 0.50 -0.67 0.00 0.00 178.83 178.67 1ynn s ARG 189 N -4.33 4.10 0.00 1.46 3.52 -1.00 -4.95 118.95 117.76 1ynn s ARG 189 Ca -0.04 0.35 0.20 0.00 -0.13 0.00 0.00 55.73 56.11 1ynn s ARG 189 Cb 0.14 -3.63 0.04 0.00 -1.56 0.00 0.00 34.95 29.94 1ynn s ARG 189 CO 0.51 -0.29 1.02 0.25 -0.81 0.00 0.00 175.30 175.98 1ynn n THR 190 N 4.98 0.00 -1.08 4.11 -2.24 -1.26 0.38 114.28 119.18 1ynn n THR 190 Ca -0.04 -0.35 0.10 0.00 -2.27 0.00 0.00 64.05 61.49 1ynn n THR 190 Cb 0.50 1.28 0.14 0.00 -2.10 0.00 0.00 70.33 70.15 1ynn n THR 190 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ynn n ASP 191 N 0.25 2.34 -4.73 3.42 5.75 -1.25 -3.59 116.55 118.73 1ynn n ASP 191 Ca 0.09 -3.10 -0.41 0.00 -0.01 0.00 0.00 54.79 51.36 1ynn n ASP 191 Cb 0.44 -0.43 -0.04 0.00 -1.03 0.00 0.00 41.12 40.06 1ynn n ASP 191 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1ynn s LEU 192 N -2.88 4.46 0.34 -2.12 1.43 -0.97 -4.76 118.68 114.17 1ynn s LEU 192 Ca 0.32 2.05 -0.29 0.00 -1.03 0.00 0.00 54.13 55.19 1ynn s LEU 192 Cb 0.28 -3.60 -0.10 0.00 0.03 0.00 0.00 46.19 42.80 1ynn s LEU 192 CO 0.03 -0.27 1.31 -1.81 0.23 0.00 0.00 176.35 175.84 1ynn s ASP 193 N 0.17 6.75 -0.27 2.29 1.11 -0.29 0.23 116.67 126.66 1ynn s ASP 193 Ca 0.51 2.69 -0.01 0.00 0.18 0.00 0.00 52.55 55.93 1ynn s ASP 193 Cb -0.29 -2.65 0.08 0.00 1.07 0.00 0.00 42.92 41.14 1ynn s ASP 193 CO 0.33 -0.55 0.06 -0.75 1.18 0.00 0.00 175.17 175.44 1ynn s LYS 194 N -1.82 0.86 -0.22 8.23 2.20 0.20 -2.28 119.74 126.91 1ynn s LYS 194 Ca 0.49 -0.93 -0.19 0.00 -0.36 0.00 0.00 55.97 54.99 1ynn s LYS 194 Cb -0.40 -2.16 -0.03 0.00 -1.51 0.00 0.00 37.83 33.74 1ynn s LYS 194 CO 0.53 -0.84 0.56 -1.17 -0.36 0.00 0.00 175.35 174.07 1ynn s LEU 195 N 1.62 4.11 -0.28 5.43 2.96 -1.12 -2.71 118.68 128.69 1ynn s LEU 195 Ca 0.05 0.68 0.03 0.00 -0.22 0.00 0.00 54.13 54.67 1ynn s LEU 195 Cb -0.17 -2.76 0.07 0.00 0.50 0.00 0.00 46.19 43.83 1ynn s LEU 195 CO -0.17 -0.25 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.66 1ynn s THR 196 N 1.95 2.08 0.02 3.68 2.01 -0.78 -1.69 115.64 122.92 1ynn s THR 196 Ca 0.25 -1.76 -0.17 0.00 0.31 0.00 0.00 61.69 60.32 1ynn s THR 196 Cb -0.16 -2.30 -0.06 0.00 0.01 0.00 0.00 72.50 69.99 1ynn s THR 196 CO 0.09 -0.20 0.47 -0.76 -0.69 0.00 0.00 174.62 173.54 1ynn s LEU 197 N 1.10 4.49 -0.19 4.42 1.02 0.15 -2.28 118.68 127.39 1ynn s LEU 197 Ca -0.03 1.07 -0.01 0.00 0.02 0.00 0.00 54.13 55.18 1ynn s LEU 197 Cb -0.20 -2.71 0.05 0.00 0.02 0.00 0.00 46.19 43.36 1ynn s LEU 197 CO -0.06 0.29 -0.03 -0.13 0.02 0.00 0.00 176.35 176.44 1ynn s ARG 198 N -1.00 1.26 0.02 1.70 0.52 0.04 -0.65 118.95 120.84 1ynn s ARG 198 Ca 0.26 -0.63 -0.01 0.00 -0.52 0.00 0.00 55.73 54.83 1ynn s ARG 198 Cb -0.18 -2.21 -0.04 0.00 0.52 0.00 0.00 34.95 33.04 1ynn s ARG 198 CO 0.15 -0.54 0.15 0.42 0.02 0.00 0.00 175.30 175.50 1ynn s ILE 199 N 1.63 5.12 -0.10 1.52 1.01 0.40 -1.43 121.20 129.35 1ynn s ILE 199 Ca -0.02 -0.37 -0.00 0.00 0.00 0.00 0.00 60.65 60.26 1ynn s ILE 199 Cb -0.17 -3.42 0.02 0.00 0.01 0.00 0.00 42.46 38.91 1ynn s ILE 199 CO -0.07 0.25 -0.06 0.26 0.00 0.00 0.00 174.94 175.31 1ynn s TRP 200 N -1.35 1.28 0.43 3.97 0.52 0.85 -1.83 118.94 122.81 1ynn s TRP 200 Ca 0.29 -0.57 0.01 0.00 0.02 0.00 0.00 56.10 55.84 1ynn s TRP 200 Cb -0.12 -1.10 -0.00 0.00 -1.15 0.00 0.00 33.47 31.10 1ynn s TRP 200 CO 0.21 -0.43 0.02 0.25 0.02 0.00 0.00 176.95 177.02 1ynn n THR 201 N 4.79 0.00 0.00 2.01 -2.24 -1.26 0.37 114.28 117.95 1ynn n THR 201 Ca -0.13 -2.09 0.00 0.00 -2.27 0.00 0.00 64.05 59.55 1ynn n THR 201 Cb 0.50 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 1ynn n THR 201 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ynn n ASP 202 N -1.32 0.00 -0.07 3.42 3.85 -0.30 -4.58 116.55 117.55 1ynn n ASP 202 Ca -0.16 0.00 -0.12 0.00 -0.71 0.00 0.00 54.79 53.79 1ynn n ASP 202 Cb 0.56 0.00 -0.11 0.00 -1.35 0.00 0.00 41.12 40.22 1ynn n ASP 202 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 1ynn h GLY 203 N 0.00 0.00 -0.08 6.12 0.00 -1.89 -3.35 103.07 103.88 1ynn h GLY 203 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1ynn h GLY 203 CO 0.00 0.00 -0.05 1.48 0.00 0.00 0.00 176.54 177.97 1ynn h SER 204 N -1.00 -0.18 -3.34 0.19 4.64 -1.92 -3.42 113.55 108.53 1ynn h SER 204 Ca -0.04 0.03 -0.65 0.00 -0.47 0.00 0.00 61.79 60.66 1ynn h SER 204 Cb 0.86 0.08 -0.25 0.00 -0.31 0.00 0.00 62.40 62.78 1ynn h SER 204 CO -0.02 -0.02 -0.73 -0.69 -0.87 0.00 0.00 176.83 174.49 1ynn s VAL 205 N -3.21 3.31 0.80 0.95 1.01 -1.26 -5.11 120.40 116.89 1ynn s VAL 205 Ca -0.01 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.29 1ynn s VAL 205 Cb 0.01 -2.41 0.07 0.00 0.00 0.00 0.00 36.38 34.05 1ynn s VAL 205 CO 0.05 0.52 1.09 0.42 0.00 0.00 0.00 175.10 177.18 1ynn s THR 206 N 0.30 3.17 0.04 3.92 -4.23 -1.25 -4.60 115.64 112.98 1ynn s THR 206 Ca -0.08 0.38 -0.22 0.00 -1.18 0.00 0.00 61.69 60.59 1ynn s THR 206 Cb -0.15 -2.85 -0.14 0.00 1.34 0.00 0.00 72.50 70.70 1ynn s THR 206 CO 0.05 -0.50 1.44 -0.65 -0.54 0.00 0.00 174.62 174.43 1ynn h PRO 207 N -1.23 0.20 -0.97 3.99 0.11 -1.90 0.42 132.00 132.62 1ynn h PRO 207 Ca -0.44 -0.07 0.14 0.00 0.11 0.00 0.00 66.00 65.73 1ynn h PRO 207 Cb 1.24 -0.01 -0.09 0.00 0.11 0.00 0.00 31.00 32.25 1ynn h PRO 207 CO 0.51 0.48 0.59 1.25 -0.21 0.00 0.00 178.00 180.62 1ynn h LEU 208 N -0.10 0.82 0.25 2.35 5.85 -1.94 0.29 115.31 122.81 1ynn h LEU 208 Ca 0.03 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1ynn h LEU 208 Cb 0.40 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1ynn h LEU 208 CO 0.01 0.39 -0.12 -0.33 -0.34 0.00 0.00 178.44 178.05 1ynn h GLU 209 N 0.87 -0.32 -0.11 1.25 5.08 -1.87 -0.35 114.58 119.13 1ynn h GLU 209 Ca 0.51 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.92 1ynn h GLU 209 Cb 0.61 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.86 1ynn h GLU 209 CO -0.31 -0.21 -0.50 0.00 -1.00 0.00 0.00 179.01 177.00 1ynn h ALA 210 N 0.42 -0.79 -0.30 3.43 0.00 0.16 0.21 119.26 122.38 1ynn h ALA 210 Ca -0.03 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1ynn h ALA 210 Cb 0.26 0.92 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 1ynn h ALA 210 CO 0.06 -1.04 -0.10 1.25 0.00 0.00 0.00 179.25 179.42 1ynn h LEU 211 N -0.57 -0.35 -1.13 0.00 5.85 -0.53 0.22 115.31 118.80 1ynn h LEU 211 Ca 0.05 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.90 1ynn h LEU 211 Cb 0.67 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.86 1ynn h LEU 211 CO -0.41 -0.13 0.59 0.78 -0.34 0.00 0.00 178.44 178.94 1ynn h ASN 212 N -0.03 0.97 -0.15 1.25 2.35 -0.52 0.38 115.58 119.82 1ynn h ASN 212 Ca 0.15 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 1ynn h ASN 212 Cb 0.26 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1ynn h ASN 212 CO -0.33 0.66 0.07 1.56 -1.65 0.00 0.00 177.43 177.75 1ynn h GLN 213 N 1.13 0.22 -0.73 0.81 4.20 0.26 -2.51 115.11 118.49 1ynn h GLN 213 Ca 0.36 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 59.00 1ynn h GLN 213 Cb 0.03 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 1ynn h GLN 213 CO -0.11 0.27 0.32 0.00 -0.67 0.00 0.00 178.83 178.64 1ynn h ALA 214 N 0.94 0.94 -0.58 3.87 0.00 0.11 -1.16 119.26 123.38 1ynn h ALA 214 Ca 0.05 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1ynn h ALA 214 Cb 0.12 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1ynn h ALA 214 CO -0.01 0.54 0.06 0.28 0.00 0.00 0.00 179.25 180.12 1ynn h VAL 215 N 1.03 1.26 -0.84 0.00 2.07 -0.36 -2.71 116.25 116.70 1ynn h VAL 215 Ca 0.25 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1ynn h VAL 215 Cb 0.17 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1ynn h VAL 215 CO -0.02 0.38 0.54 0.00 0.02 0.00 0.00 177.57 178.49 1ynn h ALA 216 N 1.00 1.38 0.08 1.67 0.00 -0.94 -1.71 119.26 120.73 1ynn h ALA 216 Ca 0.17 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ynn h ALA 216 Cb 0.47 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ynn h ALA 216 CO 0.02 0.57 -0.04 0.82 0.00 0.00 0.00 179.25 180.62 1ynn h ILE 217 N 1.14 1.06 -0.37 0.00 1.08 -0.93 0.21 117.51 119.70 1ynn h ILE 217 Ca 0.31 -0.49 -0.12 0.00 -0.39 0.00 0.00 64.86 64.16 1ynn h ILE 217 Cb -0.11 1.38 -0.01 0.00 -3.07 0.00 0.00 36.82 35.00 1ynn h ILE 217 CO -0.06 0.12 -0.26 0.25 -0.69 0.00 0.00 178.15 177.51 1ynn h LEU 218 N -0.33 0.79 -1.04 1.44 5.85 -1.46 -0.68 115.31 119.88 1ynn h LEU 218 Ca -0.01 -0.30 0.05 0.00 0.84 0.00 0.00 57.88 58.46 1ynn h LEU 218 Cb 0.28 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 1ynn h LEU 218 CO 0.02 1.01 0.64 0.50 -0.34 0.00 0.00 178.44 180.27 1ynn h LYS 219 N 0.66 1.16 -0.26 1.25 3.64 -1.29 -0.74 116.57 120.99 1ynn h LYS 219 Ca 0.08 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.27 1ynn h LYS 219 Cb 0.78 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1ynn h LYS 219 CO 0.06 0.77 -0.36 1.49 -2.27 0.00 0.00 179.45 179.14 1ynn h GLU 220 N 1.19 0.58 0.21 1.90 4.81 0.16 -3.23 114.58 120.20 1ynn h GLU 220 Ca 0.41 -0.27 -0.29 0.00 -0.13 0.00 0.00 59.36 59.08 1ynn h GLU 220 Cb 0.10 -0.01 0.03 0.00 0.63 0.00 0.00 28.75 29.50 1ynn h GLU 220 CO -0.15 0.85 -1.25 0.45 -0.73 0.00 0.00 179.01 178.18 1ynn h HIS 221 N 0.48 0.87 -0.81 0.92 3.86 -0.78 -3.26 115.15 116.43 1ynn h HIS 221 Ca 0.05 -0.62 0.21 0.00 -1.16 0.00 0.00 60.37 58.85 1ynn h HIS 221 Cb 0.85 -0.04 -0.05 0.00 1.06 0.00 0.00 27.41 29.23 1ynn h HIS 221 CO 0.03 1.48 0.56 -0.07 0.86 0.00 0.00 177.93 180.79 1ynn h LEU 222 N 0.01 0.20 -0.73 2.43 3.38 -1.21 -1.90 115.31 117.48 1ynn h LEU 222 Ca -0.22 0.02 0.13 0.00 0.09 0.00 0.00 57.88 57.91 1ynn h LEU 222 Cb 1.98 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 42.62 1ynn h LEU 222 CO 0.24 0.09 0.29 0.78 0.09 0.00 0.00 178.44 179.92 1ynn h ASN 223 N 0.20 0.28 -0.79 -0.43 -0.26 -1.59 -2.55 115.58 110.44 1ynn h ASN 223 Ca 0.40 0.10 0.23 0.00 -0.56 0.00 0.00 56.30 56.48 1ynn h ASN 223 Cb 1.27 0.08 -0.03 0.00 -1.06 0.00 0.00 38.32 38.58 1ynn h ASN 223 CO -0.08 0.12 0.63 1.88 -1.06 0.00 0.00 177.43 178.91 1ynn h TYR 224 N 0.45 0.00 -0.42 1.19 0.99 -1.52 -3.25 116.97 114.41 1ynn h TYR 224 Ca 0.40 0.00 -0.48 0.00 2.00 0.00 0.00 58.73 60.65 1ynn h TYR 224 Cb 0.58 0.00 -0.03 0.00 1.00 0.00 0.00 36.73 38.28 1ynn h TYR 224 CO -0.16 0.00 1.62 1.19 -0.00 0.00 0.00 178.16 180.80 1ynn n PHE 225 N -4.06 2.94 -3.72 4.88 3.01 -0.96 -4.82 117.46 114.73 1ynn n PHE 225 Ca 0.16 -1.85 -0.14 0.00 1.01 0.00 0.00 57.45 56.63 1ynn n PHE 225 Cb 0.92 -2.44 -0.15 0.00 -0.01 0.00 0.00 39.48 37.80 1ynn n PHE 225 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ynn s ALA 226 N 8.27 -0.28 0.18 4.37 0.00 -1.23 -5.10 121.76 127.97 1ynn s ALA 226 Ca 0.63 0.70 -0.31 0.00 0.00 0.00 0.00 51.96 52.98 1ynn s ALA 226 Cb 0.04 -0.59 -0.17 0.00 0.00 0.00 0.00 23.12 22.40 1ynn s ALA 226 CO 0.11 -0.28 0.81 0.09 0.00 0.00 0.00 175.76 176.49 1ynn n ASN 227 N 4.53 -0.15 0.00 0.00 5.03 -1.26 -5.22 115.26 118.20 1ynn n ASN 227 Ca -0.20 1.15 0.00 0.00 0.87 0.00 0.00 54.58 56.39 1ynn n ASN 227 Cb 0.51 -1.05 0.00 0.00 -1.02 0.00 0.00 39.78 38.22 1ynn n ASN 227 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62