#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ny1 s PRO 25 N 0.00 2.83 -0.27 7.34 0.04 -1.26 -4.65 135.00 139.02 1ny1 s PRO 25 Ca 0.00 1.80 0.09 0.00 0.04 0.00 0.00 61.00 62.94 1ny1 s PRO 25 Cb 0.00 -1.91 0.46 0.00 0.04 0.00 0.00 34.50 33.09 1ny1 s PRO 25 CO 0.00 -1.31 1.18 -1.71 0.04 0.00 0.00 177.00 175.20 1ny1 n ASN 26 N -1.81 4.20 -4.66 6.66 5.15 -1.26 -1.95 115.26 121.59 1ny1 n ASN 26 Ca 0.14 -3.56 -0.43 0.00 -0.60 0.00 0.00 54.58 50.12 1ny1 n ASN 26 Cb 0.50 -0.37 -0.02 0.00 -0.53 0.00 0.00 39.78 39.35 1ny1 n ASN 26 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1ny1 s GLU 27 N -3.54 4.25 0.25 1.20 0.41 -1.26 -4.97 118.70 115.05 1ny1 s GLU 27 Ca 0.47 1.60 -0.30 0.00 -0.41 0.00 0.00 54.97 56.33 1ny1 s GLU 27 Cb 0.40 -3.73 -0.14 0.00 -1.78 0.00 0.00 34.13 28.88 1ny1 s GLU 27 CO 0.02 -0.67 1.24 -2.30 -0.49 0.00 0.00 175.26 173.06 1ny1 n PRO 28 N 6.46 1.71 -4.08 0.39 -0.02 -1.26 -4.52 135.00 133.68 1ny1 n PRO 28 Ca 0.13 0.60 -0.21 0.00 -2.02 0.00 0.00 63.50 62.01 1ny1 n PRO 28 Cb 0.45 -2.15 -0.17 0.00 -0.02 0.00 0.00 33.50 31.62 1ny1 n PRO 28 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1ny1 s ILE 29 N -0.49 0.53 -0.24 4.25 1.01 0.12 -4.96 121.20 121.42 1ny1 s ILE 29 Ca 0.65 -0.09 -0.10 0.00 0.00 0.00 0.00 60.65 61.11 1ny1 s ILE 29 Cb -0.69 -0.58 -0.05 0.00 0.01 0.00 0.00 42.46 41.15 1ny1 s ILE 29 CO 0.55 0.24 0.15 0.20 0.00 0.00 0.00 174.94 176.07 1ny1 s ASN 30 N 1.15 5.96 -0.02 3.58 0.02 -1.26 -0.38 114.94 123.98 1ny1 s ASN 30 Ca -0.07 0.06 -0.30 0.00 -1.02 0.00 0.00 52.86 51.53 1ny1 s ASN 30 Cb -0.14 -2.08 -0.07 0.00 0.02 0.00 0.00 41.25 38.98 1ny1 s ASN 30 CO -0.01 0.05 1.84 0.86 0.02 0.00 0.00 177.10 179.85 1ny1 s TRP 31 N 1.17 1.58 0.13 2.20 -0.11 0.44 -4.94 118.94 119.41 1ny1 s TRP 31 Ca 0.07 -0.11 -0.15 0.00 1.22 0.00 0.00 56.10 57.13 1ny1 s TRP 31 Cb -0.14 -4.09 0.03 0.00 -1.50 0.00 0.00 33.47 27.77 1ny1 s TRP 31 CO 0.05 -4.70 0.39 0.20 -4.62 0.00 0.00 176.95 168.27 1ny1 s GLY 32 N 4.20 -0.18 -0.14 5.86 0.00 -1.26 -4.97 107.32 110.82 1ny1 s GLY 32 Ca 0.82 -0.16 -0.31 0.00 0.00 0.00 0.00 44.72 45.08 1ny1 s GLY 32 CO 0.36 -0.37 1.05 -0.11 0.00 0.00 0.00 173.10 174.03 1ny1 s PHE 33 N -3.83 -0.28 0.20 1.90 -0.12 -1.26 -4.88 117.98 109.70 1ny1 s PHE 33 Ca 0.05 0.38 -0.31 0.00 -0.05 0.00 0.00 56.93 56.99 1ny1 s PHE 33 Cb 0.02 0.49 -0.10 0.00 -0.63 0.00 0.00 43.02 42.80 1ny1 s PHE 33 CO -0.10 -0.33 1.46 0.15 -0.05 0.00 0.00 175.22 176.35 1ny1 s LYS 34 N -1.78 4.27 0.82 1.99 -0.14 -1.26 -4.94 119.74 118.69 1ny1 s LYS 34 Ca 0.03 2.27 -0.13 0.00 -1.36 0.00 0.00 55.97 56.77 1ny1 s LYS 34 Cb -0.01 -3.15 0.08 0.00 -1.68 0.00 0.00 37.83 33.07 1ny1 s LYS 34 CO -0.03 -0.47 1.09 0.54 -0.76 0.00 0.00 175.35 175.72 1ny1 n ARG 35 N 3.16 0.11 -1.90 1.68 1.74 -1.26 -4.58 116.66 115.61 1ny1 n ARG 35 Ca 0.10 0.11 -0.40 0.00 -0.77 0.00 0.00 57.85 56.88 1ny1 n ARG 35 Cb 0.40 -2.35 0.00 0.00 -1.02 0.00 0.00 32.46 29.49 1ny1 n ARG 35 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1ny1 s SER 36 N -2.10 6.27 -0.00 0.55 0.15 -1.26 -4.87 113.70 112.43 1ny1 s SER 36 Ca 0.71 2.87 0.03 0.00 0.70 0.00 0.00 55.95 60.27 1ny1 s SER 36 Cb -0.29 -2.65 -0.01 0.00 -1.71 0.00 0.00 66.02 61.36 1ny1 s SER 36 CO 0.53 -0.90 -0.11 0.68 1.20 0.00 0.00 173.24 174.64 1ny1 s VAL 37 N -1.18 0.83 -1.56 4.45 -7.23 -1.25 -4.77 120.40 109.70 1ny1 s VAL 37 Ca 0.55 -0.52 -0.02 0.00 -1.81 0.00 0.00 61.98 60.18 1ny1 s VAL 37 Cb -0.43 -0.71 0.01 0.00 0.56 0.00 0.00 36.38 35.81 1ny1 s VAL 37 CO 0.57 0.18 0.16 0.59 -0.31 0.00 0.00 175.10 176.28 1ny1 n ASN 38 N 2.67 -5.42 -2.33 4.85 3.02 -1.26 -1.58 115.26 115.21 1ny1 n ASN 38 Ca -0.14 -0.05 -0.18 0.00 -0.03 0.00 0.00 54.58 54.17 1ny1 n ASN 38 Cb 0.56 -4.49 -0.02 0.00 -0.61 0.00 0.00 39.78 35.22 1ny1 n ASN 38 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1ny1 n HIS 39 N -3.98 -1.04 -4.07 3.10 8.25 -1.26 -4.98 115.22 111.23 1ny1 n HIS 39 Ca -0.18 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 56.93 1ny1 n HIS 39 Cb 0.65 -3.54 -0.07 0.00 1.12 0.00 0.00 29.99 28.15 1ny1 n HIS 39 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1ny1 s GLN 40 N -4.90 3.18 0.28 -0.41 -1.52 -0.61 -4.34 119.66 111.33 1ny1 s GLN 40 Ca 0.00 -0.38 -0.30 0.00 -1.95 0.00 0.00 55.36 52.73 1ny1 s GLN 40 Cb 0.00 -2.95 -0.12 0.00 -0.22 0.00 0.00 33.01 29.72 1ny1 s GLN 40 CO 0.00 0.69 1.53 -2.30 -0.25 0.00 0.00 175.29 174.95 1ny1 n PRO 41 N 1.48 2.47 -1.75 2.91 -0.02 -1.26 -3.82 135.00 135.01 1ny1 n PRO 41 Ca -0.15 0.88 -0.29 0.00 -2.02 0.00 0.00 63.50 61.92 1ny1 n PRO 41 Cb 0.53 -2.62 0.10 0.00 -0.02 0.00 0.00 33.50 31.49 1ny1 n PRO 41 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ny1 s PRO 42 N -0.53 1.89 -0.04 0.52 0.04 -1.26 -4.92 135.00 130.70 1ny1 s PRO 42 Ca 0.65 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.98 1ny1 s PRO 42 Cb -0.55 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.09 1ny1 s PRO 42 CO 0.49 -1.68 -0.01 0.34 0.04 0.00 0.00 177.00 176.19 1ny1 s ASP 43 N -4.30 0.63 0.00 6.66 -1.08 -1.26 -5.03 116.67 112.30 1ny1 s ASP 43 Ca 0.62 -0.05 0.32 0.00 -0.52 0.00 0.00 52.55 52.91 1ny1 s ASP 43 Cb -0.13 -0.28 1.82 0.00 -1.46 0.00 0.00 42.92 42.87 1ny1 s ASP 43 CO 0.51 -0.10 2.18 0.00 0.52 0.00 0.00 175.17 178.28 1ny1 n ALA 44 N 4.22 2.67 0.00 3.66 0.00 -1.26 -4.57 120.51 125.23 1ny1 n ALA 44 Ca -0.24 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1ny1 n ALA 44 Cb 0.50 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1ny1 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ny1 n GLY 45 N 1.03 2.06 0.25 0.00 0.00 -1.26 -4.42 105.19 102.86 1ny1 n GLY 45 Ca 0.23 -1.89 -0.07 0.00 0.00 0.00 0.00 46.02 44.29 1ny1 n GLY 45 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ny1 h LYS 46 N 0.00 0.84 -0.21 1.61 -0.00 -1.98 0.12 116.57 116.95 1ny1 h LYS 46 Ca 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 60.65 60.55 1ny1 h LYS 46 Cb 0.00 -0.16 -0.01 0.00 -0.00 0.00 0.00 32.23 32.06 1ny1 h LYS 46 CO 0.00 0.64 0.13 1.96 -0.00 0.00 0.00 179.45 182.18 1ny1 h GLN 47 N 0.82 0.28 -0.30 0.07 4.20 -2.00 -0.43 115.11 117.76 1ny1 h GLN 47 Ca 0.21 -0.02 -0.17 0.00 0.06 0.00 0.00 58.65 58.73 1ny1 h GLN 47 Cb 0.05 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 1ny1 h GLN 47 CO -0.03 0.21 -0.49 -0.07 -0.67 0.00 0.00 178.83 177.78 1ny1 h LEU 48 N 0.27 0.89 -0.81 1.46 3.38 -1.75 -2.30 115.31 116.45 1ny1 h LEU 48 Ca 0.08 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 1ny1 h LEU 48 Cb -0.00 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 1ny1 h LEU 48 CO -0.02 1.23 0.43 0.78 0.09 0.00 0.00 178.44 180.95 1ny1 h ASN 49 N 0.64 1.03 -0.41 -0.43 2.35 -0.81 -1.81 115.58 116.14 1ny1 h ASN 49 Ca 0.03 -0.11 -0.08 0.00 -0.55 0.00 0.00 56.30 55.59 1ny1 h ASN 49 Cb 1.07 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.17 1ny1 h ASN 49 CO 0.11 0.85 -0.04 0.28 -1.65 0.00 0.00 177.43 176.97 1ny1 h SER 50 N 1.13 0.75 0.39 5.81 0.02 -1.01 -2.35 113.55 118.29 1ny1 h SER 50 Ca 0.28 -0.33 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1ny1 h SER 50 Cb 0.06 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.40 1ny1 h SER 50 CO -0.04 0.90 -0.19 0.25 -1.14 0.00 0.00 176.83 176.61 1ny1 h LEU 51 N 0.58 -0.45 -0.76 5.07 6.46 -1.17 -1.64 115.31 123.40 1ny1 h LEU 51 Ca 0.11 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1ny1 h LEU 51 Cb 0.54 0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.55 1ny1 h LEU 51 CO 0.03 -0.27 0.47 0.16 -0.62 0.00 0.00 178.44 178.21 1ny1 h ILE 52 N -0.59 1.21 -0.07 4.05 3.07 -1.39 -2.43 117.51 121.37 1ny1 h ILE 52 Ca -0.05 -0.45 -0.06 0.00 1.55 0.00 0.00 64.86 65.84 1ny1 h ILE 52 Cb 0.44 0.14 -0.01 0.00 -0.27 0.00 0.00 36.82 37.12 1ny1 h ILE 52 CO 0.09 0.22 -0.25 -0.33 -1.05 0.00 0.00 178.15 176.83 1ny1 h GLU 53 N 1.04 0.12 0.00 0.16 4.39 -1.37 0.27 114.58 119.19 1ny1 h GLU 53 Ca 0.27 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.93 1ny1 h GLU 53 Cb -0.05 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1ny1 h GLU 53 CO -0.05 0.37 -0.03 -0.22 -1.16 0.00 0.00 179.01 177.92 1ny1 h LYS 54 N 0.11 0.00 0.00 2.33 3.64 -0.78 -2.49 116.57 119.38 1ny1 h LYS 54 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1ny1 h LYS 54 Cb 0.51 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1ny1 h LYS 54 CO 0.04 0.03 -0.01 0.66 -2.27 0.00 0.00 179.45 177.89 1ny1 n TYR 55 N -3.22 0.00 -0.99 1.91 4.01 -0.52 -4.99 117.16 113.36 1ny1 n TYR 55 Ca -0.01 -0.91 0.00 0.00 -0.16 0.00 0.00 57.90 56.81 1ny1 n TYR 55 Cb 0.20 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 1ny1 n TYR 55 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1ny1 n ASP 56 N -1.29 -5.39 -4.81 7.72 8.00 -0.25 -4.81 116.55 115.70 1ny1 n ASP 56 Ca 0.14 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.32 1ny1 n ASP 56 Cb 0.60 -3.02 0.01 0.00 -0.02 0.00 0.00 41.12 38.69 1ny1 n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ny1 s ALA 57 N -1.16 2.79 0.17 2.24 0.00 0.78 -4.76 121.76 121.82 1ny1 s ALA 57 Ca 0.00 0.28 -0.11 0.00 0.00 0.00 0.00 51.96 52.13 1ny1 s ALA 57 Cb 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1ny1 s ALA 57 CO 0.00 -0.80 0.34 -0.59 0.00 0.00 0.00 175.76 174.71 1ny1 s PHE 58 N -2.62 0.24 0.00 0.00 -0.12 -1.14 -4.10 117.98 110.23 1ny1 s PHE 58 Ca 0.61 -0.60 0.00 0.00 -0.05 0.00 0.00 56.93 56.89 1ny1 s PHE 58 Cb -0.14 0.06 0.00 0.00 -0.63 0.00 0.00 43.02 42.31 1ny1 s PHE 58 CO 0.40 -0.76 0.12 2.48 -0.05 0.00 0.00 175.22 177.42 1ny1 n TYR 59 N -0.23 0.00 -4.09 3.49 4.11 -1.26 -0.99 117.16 118.18 1ny1 n TYR 59 Ca -0.09 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.71 1ny1 n TYR 59 Cb 0.63 0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 39.86 1ny1 n TYR 59 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1ny1 s LEU 60 N -0.14 2.38 0.00 -3.48 1.43 -1.26 -3.16 118.68 114.45 1ny1 s LEU 60 Ca 0.00 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.32 1ny1 s LEU 60 Cb 0.00 -0.04 0.00 0.00 0.03 0.00 0.00 46.19 46.18 1ny1 s LEU 60 CO 0.00 -0.37 0.00 0.61 0.23 0.00 0.00 176.35 176.82 1ny1 n GLY 61 N 0.72 2.39 3.57 -3.19 0.00 0.29 -4.99 105.19 103.97 1ny1 n GLY 61 Ca -0.18 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 1ny1 n GLY 61 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ny1 s ASN 62 N -0.71 6.27 0.00 1.61 3.84 -1.26 -4.81 114.94 119.88 1ny1 s ASN 62 Ca 0.00 -0.14 0.23 0.00 0.21 0.00 0.00 52.86 53.16 1ny1 s ASN 62 Cb 0.00 -2.56 1.36 0.00 -0.55 0.00 0.00 41.25 39.50 1ny1 s ASN 62 CO 0.00 -1.68 1.82 0.35 -2.79 0.00 0.00 177.10 174.80 1ny1 n THR 63 N 6.56 0.00 0.97 -5.21 -2.24 -1.26 -3.13 114.28 109.97 1ny1 n THR 63 Ca 0.06 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.96 1ny1 n THR 63 Cb 0.49 -0.44 0.32 0.00 -2.10 0.00 0.00 70.33 68.60 1ny1 n THR 63 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ny1 n LYS 64 N -0.89 1.98 -3.84 -0.78 5.02 -1.26 -4.72 118.16 113.67 1ny1 n LYS 64 Ca 0.17 -1.48 -0.11 0.00 -2.02 0.00 0.00 58.31 54.87 1ny1 n LYS 64 Cb 0.08 -1.44 -0.09 0.00 -0.02 0.00 0.00 35.03 33.56 1ny1 n LYS 64 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1ny1 s GLU 65 N -1.74 0.61 -1.24 1.97 -1.05 -1.20 -5.07 118.70 110.98 1ny1 s GLU 65 Ca 0.34 -0.46 -0.19 0.00 -0.15 0.00 0.00 54.97 54.51 1ny1 s GLU 65 Cb 0.19 0.26 -0.00 0.00 -0.44 0.00 0.00 34.13 34.14 1ny1 s GLU 65 CO 0.28 -0.17 1.87 1.63 0.95 0.00 0.00 175.26 179.82 1ny1 n LYS 66 N 1.08 2.53 -4.50 -4.83 5.02 -1.26 -3.62 118.16 112.58 1ny1 n LYS 66 Ca -0.21 -2.85 -0.22 0.00 -2.02 0.00 0.00 58.31 53.01 1ny1 n LYS 66 Cb 0.57 -3.51 -0.14 0.00 -0.02 0.00 0.00 35.03 31.93 1ny1 n LYS 66 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1ny1 s THR 67 N 6.35 1.32 0.00 -0.18 2.01 -1.26 -0.95 115.64 122.94 1ny1 s THR 67 Ca 0.58 -1.02 0.04 0.00 0.31 0.00 0.00 61.69 61.61 1ny1 s THR 67 Cb 0.04 -1.16 -0.01 0.00 0.01 0.00 0.00 72.50 71.38 1ny1 s THR 67 CO 0.08 0.12 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.37 1ny1 s ILE 68 N -0.76 1.11 -0.22 1.82 1.01 -0.15 -0.60 121.20 123.42 1ny1 s ILE 68 Ca 0.04 -0.71 -0.01 0.00 0.00 0.00 0.00 60.65 59.97 1ny1 s ILE 68 Cb -0.08 -0.95 0.02 0.00 0.01 0.00 0.00 42.46 41.46 1ny1 s ILE 68 CO 0.01 0.23 -0.11 -0.31 0.00 0.00 0.00 174.94 174.75 1ny1 s TYR 69 N -0.47 2.94 -0.07 3.97 2.02 -0.10 -1.29 117.35 124.36 1ny1 s TYR 69 Ca 0.04 -1.50 -0.21 0.00 -0.37 0.00 0.00 57.07 55.04 1ny1 s TYR 69 Cb -0.06 -2.01 -0.04 0.00 -0.40 0.00 0.00 41.96 39.45 1ny1 s TYR 69 CO -0.00 -0.73 0.59 -0.51 -1.57 0.00 0.00 175.55 173.34 1ny1 s LEU 70 N 1.33 4.33 0.07 -1.29 1.43 -1.26 -1.24 118.68 122.05 1ny1 s LEU 70 Ca 0.03 1.05 0.03 0.00 -1.03 0.00 0.00 54.13 54.21 1ny1 s LEU 70 Cb -0.15 -2.90 -0.03 0.00 0.03 0.00 0.00 46.19 43.14 1ny1 s LEU 70 CO -0.08 -0.02 -0.09 0.42 0.23 0.00 0.00 176.35 176.81 1ny1 s THR 71 N 0.48 0.77 0.06 5.49 -4.23 -0.30 -2.51 115.64 115.39 1ny1 s THR 71 Ca 0.32 -1.36 0.04 0.00 -1.18 0.00 0.00 61.69 59.51 1ny1 s THR 71 Cb -0.17 -1.01 -0.03 0.00 1.34 0.00 0.00 72.50 72.64 1ny1 s THR 71 CO 0.15 -0.45 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.31 1ny1 s PHE 72 N -1.88 0.99 -0.17 3.99 0.40 0.69 -1.02 117.98 120.99 1ny1 s PHE 72 Ca -0.02 -0.49 -0.02 0.00 -0.60 0.00 0.00 56.93 55.80 1ny1 s PHE 72 Cb -0.07 -0.57 -0.01 0.00 0.51 0.00 0.00 43.02 42.88 1ny1 s PHE 72 CO 0.00 -0.00 -0.09 -0.51 0.70 0.00 0.00 175.22 175.32 1ny1 s ASP 73 N -1.71 4.18 -0.29 1.36 1.11 -0.44 -0.15 116.67 120.73 1ny1 s ASP 73 Ca -0.05 -0.34 0.01 0.00 0.18 0.00 0.00 52.55 52.36 1ny1 s ASP 73 Cb -0.10 -1.67 0.09 0.00 1.07 0.00 0.00 42.92 42.31 1ny1 s ASP 73 CO 0.01 0.09 0.03 0.20 1.18 0.00 0.00 175.17 176.69 1ny1 s ASN 74 N 0.79 4.17 -0.13 0.27 0.01 0.14 -4.49 114.94 115.70 1ny1 s ASN 74 Ca -0.03 -1.63 0.17 0.00 -0.71 0.00 0.00 52.86 50.65 1ny1 s ASN 74 Cb -0.15 -1.19 -0.24 0.00 0.41 0.00 0.00 41.25 40.08 1ny1 s ASN 74 CO 0.01 -0.35 0.16 0.61 -1.51 0.00 0.00 177.10 176.03 1ny1 n GLY 75 N 4.62 -0.88 3.78 0.66 0.00 -1.26 -2.57 105.19 109.53 1ny1 n GLY 75 Ca -0.03 -0.34 -0.08 0.00 0.00 0.00 0.00 46.02 45.56 1ny1 n GLY 75 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ny1 s TYR 76 N -2.69 -0.16 -0.09 1.61 1.13 -1.26 -3.66 117.35 112.23 1ny1 s TYR 76 Ca -0.08 -0.27 -0.01 0.00 -1.41 0.00 0.00 57.07 55.30 1ny1 s TYR 76 Cb 0.07 0.63 -0.03 0.00 -1.10 0.00 0.00 41.96 41.54 1ny1 s TYR 76 CO 0.75 -1.17 -0.06 -2.00 -2.51 0.00 0.00 175.55 170.57 1ny1 s GLU 77 N -3.91 3.03 -0.07 -3.49 2.56 -1.26 -4.89 118.70 110.66 1ny1 s GLU 77 Ca 0.11 -0.53 0.11 0.00 0.00 0.00 0.00 54.97 54.66 1ny1 s GLU 77 Cb -0.05 -2.69 0.17 0.00 2.00 0.00 0.00 34.13 33.55 1ny1 s GLU 77 CO 0.05 0.55 1.06 -1.71 -0.56 0.00 0.00 175.26 174.65 1ny1 n ASN 78 N 2.59 1.72 0.00 -1.70 5.15 -1.26 -5.01 115.26 116.74 1ny1 n ASN 78 Ca -0.18 -2.57 0.00 0.00 -0.60 0.00 0.00 54.58 51.23 1ny1 n ASN 78 Cb 0.53 -0.28 0.00 0.00 -0.53 0.00 0.00 39.78 39.49 1ny1 n ASN 78 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ny1 n GLY 79 N -0.92 0.73 0.04 8.20 0.00 -1.26 -4.97 105.19 107.01 1ny1 n GLY 79 Ca 0.09 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.14 1ny1 n GLY 79 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ny1 n TYR 80 N -2.09 0.00 -0.07 1.61 4.01 -1.26 -4.69 117.16 114.68 1ny1 n TYR 80 Ca 0.00 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.76 1ny1 n TYR 80 Cb 0.00 0.00 0.35 0.00 -0.31 0.00 0.00 39.34 39.38 1ny1 n TYR 80 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1ny1 h THR 81 N 0.19 1.14 -0.82 -0.72 2.02 -1.94 -1.71 112.91 111.07 1ny1 h THR 81 Ca 0.00 -0.31 0.01 0.00 0.77 0.00 0.00 66.41 66.87 1ny1 h THR 81 Cb 0.17 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 1ny1 h THR 81 CO 0.00 0.15 0.53 -0.65 0.37 0.00 0.00 175.52 175.92 1ny1 h PRO 82 N 0.70 1.09 -0.45 6.66 0.11 -1.96 -0.45 132.00 137.69 1ny1 h PRO 82 Ca 0.18 -0.07 -0.10 0.00 0.11 0.00 0.00 66.00 66.12 1ny1 h PRO 82 Cb -0.03 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 30.82 1ny1 h PRO 82 CO -0.04 0.73 -0.13 0.87 -0.21 0.00 0.00 178.00 179.22 1ny1 h LYS 83 N 1.12 0.84 -0.69 1.05 1.57 -1.68 -1.54 116.57 117.24 1ny1 h LYS 83 Ca 0.30 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1ny1 h LYS 83 Cb -0.11 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 1ny1 h LYS 83 CO -0.06 0.93 0.41 0.28 -0.57 0.00 0.00 179.45 180.43 1ny1 h VAL 84 N 0.75 1.20 -0.52 0.50 2.07 -0.68 -0.39 116.25 119.20 1ny1 h VAL 84 Ca 0.12 -0.46 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 1ny1 h VAL 84 Cb 0.64 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1ny1 h VAL 84 CO 0.04 0.21 0.06 -0.07 0.02 0.00 0.00 177.57 177.84 1ny1 h LEU 85 N 0.94 0.78 -0.58 2.57 3.38 -0.84 -1.49 115.31 120.06 1ny1 h LEU 85 Ca 0.25 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1ny1 h LEU 85 Cb -0.01 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1ny1 h LEU 85 CO -0.04 0.81 0.11 0.44 0.09 0.00 0.00 178.44 179.85 1ny1 h ASP 86 N 0.78 0.92 -0.50 -0.43 3.32 -0.57 -1.63 116.42 118.31 1ny1 h ASP 86 Ca 0.16 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 1ny1 h ASP 86 Cb 0.39 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1ny1 h ASP 86 CO 0.01 0.94 0.18 0.58 -1.72 0.00 0.00 179.24 179.23 1ny1 h VAL 87 N 0.86 1.22 -0.37 -1.35 2.07 -0.78 -0.39 116.25 117.51 1ny1 h VAL 87 Ca 0.18 -0.71 -0.07 0.00 0.82 0.00 0.00 66.70 66.92 1ny1 h VAL 87 Cb 0.40 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1ny1 h VAL 87 CO 0.01 0.26 -0.05 -0.07 0.02 0.00 0.00 177.57 177.74 1ny1 h LEU 88 N 0.67 0.57 -0.23 2.57 3.38 -1.11 -2.09 115.31 119.08 1ny1 h LEU 88 Ca 0.16 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1ny1 h LEU 88 Cb 0.23 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1ny1 h LEU 88 CO -0.01 0.68 -0.15 0.50 0.09 0.00 0.00 178.44 179.55 1ny1 h LYS 89 N 0.56 0.51 -0.90 1.13 3.64 -1.00 0.12 116.57 120.64 1ny1 h LYS 89 Ca 0.11 -0.24 0.10 0.00 -1.27 0.00 0.00 60.65 59.35 1ny1 h LYS 89 Cb 0.44 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.18 1ny1 h LYS 89 CO 0.02 0.80 0.54 -0.22 -2.27 0.00 0.00 179.45 178.32 1ny1 h LYS 90 N 0.22 0.88 -0.03 1.90 3.64 -0.79 -0.97 116.57 121.41 1ny1 h LYS 90 Ca 0.05 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ny1 h LYS 90 Cb 0.67 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1ny1 h LYS 90 CO 0.04 0.58 0.00 0.72 -2.27 0.00 0.00 179.45 178.52 1ny1 n HIS 91 N -4.67 0.02 -3.91 1.91 8.25 -0.81 -4.95 115.22 111.06 1ny1 n HIS 91 Ca 0.15 -0.01 -0.26 0.00 -0.26 0.00 0.00 57.72 57.34 1ny1 n HIS 91 Cb 0.28 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.39 1ny1 n HIS 91 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1ny1 n ARG 92 N 0.42 -4.02 -4.51 -0.41 0.63 -0.03 -4.97 116.66 103.76 1ny1 n ARG 92 Ca 0.18 0.49 -0.34 0.00 -0.92 0.00 0.00 57.85 57.25 1ny1 n ARG 92 Cb 0.40 -4.90 -0.10 0.00 0.45 0.00 0.00 32.46 28.31 1ny1 n ARG 92 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1ny1 s VAL 93 N -3.72 3.99 -0.26 5.15 1.01 0.22 -5.02 120.40 121.77 1ny1 s VAL 93 Ca 0.17 -0.37 -0.12 0.00 0.00 0.00 0.00 61.98 61.66 1ny1 s VAL 93 Cb -0.09 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 1ny1 s VAL 93 CO 0.86 0.60 0.25 -0.89 0.00 0.00 0.00 175.10 175.93 1ny1 s THR 94 N -0.82 5.27 0.28 3.92 2.01 -1.26 -4.58 115.64 120.46 1ny1 s THR 94 Ca 0.12 0.33 0.06 0.00 0.31 0.00 0.00 61.69 62.52 1ny1 s THR 94 Cb -0.11 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 1ny1 s THR 94 CO 0.02 0.24 0.34 -0.83 -0.69 0.00 0.00 174.62 173.70 1ny1 s GLY 95 N 1.54 1.44 -0.19 4.40 0.00 -1.26 -4.39 107.32 108.85 1ny1 s GLY 95 Ca 0.10 -1.39 0.01 0.00 0.00 0.00 0.00 44.72 43.44 1ny1 s GLY 95 CO 0.09 -1.38 -0.18 -1.59 0.00 0.00 0.00 173.10 170.04 1ny1 s THR 96 N -2.11 2.06 -0.29 0.90 2.01 -1.04 -1.22 115.64 115.95 1ny1 s THR 96 Ca 0.38 -1.04 -0.07 0.00 0.31 0.00 0.00 61.69 61.27 1ny1 s THR 96 Cb -0.08 -1.91 0.00 0.00 0.01 0.00 0.00 72.50 70.52 1ny1 s THR 96 CO 0.28 0.45 0.08 -0.36 -0.69 0.00 0.00 174.62 174.37 1ny1 s PHE 97 N 1.27 3.13 -0.45 4.92 0.40 0.79 -0.22 117.98 127.82 1ny1 s PHE 97 Ca 0.03 -0.92 -0.22 0.00 -0.60 0.00 0.00 56.93 55.22 1ny1 s PHE 97 Cb -0.14 -2.25 0.03 0.00 0.51 0.00 0.00 43.02 41.17 1ny1 s PHE 97 CO -0.12 -0.55 0.75 -0.06 0.70 0.00 0.00 175.22 175.94 1ny1 s PHE 98 N 1.51 3.01 0.14 0.36 0.40 0.78 0.51 117.98 124.69 1ny1 s PHE 98 Ca 0.03 0.11 0.05 0.00 -0.60 0.00 0.00 56.93 56.51 1ny1 s PHE 98 Cb -0.17 -3.59 -0.04 0.00 0.51 0.00 0.00 43.02 39.74 1ny1 s PHE 98 CO 0.02 -0.96 0.10 0.14 0.70 0.00 0.00 175.22 175.22 1ny1 s VAL 99 N 3.17 4.37 0.36 -0.44 -7.23 -0.84 -0.68 120.40 119.12 1ny1 s VAL 99 Ca 0.28 -1.04 0.07 0.00 -1.81 0.00 0.00 61.98 59.49 1ny1 s VAL 99 Cb -0.13 -3.19 -0.01 0.00 0.56 0.00 0.00 36.38 33.62 1ny1 s VAL 99 CO 0.22 -0.03 0.45 0.42 -0.31 0.00 0.00 175.10 175.85 1ny1 s THR 100 N -1.62 3.59 0.21 5.32 -4.23 -1.06 -0.61 115.64 117.23 1ny1 s THR 100 Ca 0.30 -1.10 -0.09 0.00 -1.18 0.00 0.00 61.69 59.62 1ny1 s THR 100 Cb -0.11 -3.23 0.14 0.00 1.34 0.00 0.00 72.50 70.64 1ny1 s THR 100 CO 0.22 -0.11 1.78 1.23 -0.54 0.00 0.00 174.62 177.20 1ny1 h GLY 101 N 0.91 0.93 0.87 3.99 0.00 -0.82 -2.23 103.07 106.72 1ny1 h GLY 101 Ca -0.44 -0.20 0.02 0.00 0.00 0.00 0.00 47.33 46.72 1ny1 h GLY 101 CO 0.52 0.08 0.27 0.84 0.00 0.00 0.00 176.54 178.25 1ny1 h HIS 102 N 0.56 0.50 -0.36 5.60 -0.00 -1.86 -1.07 115.15 118.52 1ny1 h HIS 102 Ca 0.30 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.70 1ny1 h HIS 102 Cb 0.28 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.51 1ny1 h HIS 102 CO -0.11 0.28 0.22 0.35 -0.00 0.00 0.00 177.93 178.67 1ny1 h PHE 103 N 0.54 0.42 -0.26 5.26 3.57 -1.52 0.21 116.94 125.16 1ny1 h PHE 103 Ca 0.19 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 1ny1 h PHE 103 Cb 0.03 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 1ny1 h PHE 103 CO -0.07 0.25 0.15 0.28 -2.23 0.00 0.00 178.31 176.69 1ny1 h VAL 104 N 0.45 1.10 -0.28 1.41 2.07 -1.13 0.28 116.25 120.15 1ny1 h VAL 104 Ca 0.14 -0.23 -0.10 0.00 0.82 0.00 0.00 66.70 67.32 1ny1 h VAL 104 Cb -0.02 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1ny1 h VAL 104 CO -0.05 0.10 -0.26 0.11 0.02 0.00 0.00 177.57 177.48 1ny1 h LYS 105 N 0.32 0.54 0.00 1.57 1.79 -0.98 -3.10 116.57 116.72 1ny1 h LYS 105 Ca 0.09 -0.22 -0.22 0.00 -2.18 0.00 0.00 60.65 58.13 1ny1 h LYS 105 Cb 0.02 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.61 1ny1 h LYS 105 CO -0.02 0.76 -1.16 0.22 -1.08 0.00 0.00 179.45 178.17 1ny1 h ASP 106 N 0.48 0.00 -1.93 0.86 3.58 -0.35 -3.40 116.42 115.66 1ny1 h ASP 106 Ca 0.07 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.97 1ny1 h ASP 106 Cb 0.71 0.00 -0.41 0.00 1.72 0.00 0.00 39.33 41.34 1ny1 h ASP 106 CO 0.05 0.93 -0.83 0.00 -2.88 0.00 0.00 179.24 176.52 1ny1 n GLN 107 N -3.23 2.63 -0.26 0.28 1.13 0.96 -4.93 117.38 113.95 1ny1 n GLN 107 Ca -0.05 -4.33 0.05 0.00 -1.94 0.00 0.00 57.00 50.73 1ny1 n GLN 107 Cb 0.94 -2.04 0.19 0.00 0.11 0.00 0.00 30.24 29.45 1ny1 n GLN 107 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1ny1 h PRO 108 N 2.90 0.48 -0.76 -1.09 0.11 -1.76 -1.80 132.00 130.07 1ny1 h PRO 108 Ca 0.14 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.20 1ny1 h PRO 108 Cb 0.76 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 31.72 1ny1 h PRO 108 CO 0.73 0.32 0.39 1.96 -0.21 0.00 0.00 178.00 181.19 1ny1 h GLN 109 N 0.49 1.06 -0.48 1.05 4.20 -1.91 -1.34 115.11 118.17 1ny1 h GLN 109 Ca 0.42 -0.13 -0.11 0.00 0.06 0.00 0.00 58.65 58.89 1ny1 h GLN 109 Cb 0.61 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1ny1 h GLN 109 CO -0.38 0.79 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.36 1ny1 h LEU 110 N 1.06 0.96 -0.95 1.46 3.38 -1.76 -1.38 115.31 118.07 1ny1 h LEU 110 Ca 0.26 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1ny1 h LEU 110 Cb 0.06 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 1ny1 h LEU 110 CO -0.04 1.11 0.63 0.40 0.09 0.00 0.00 178.44 180.63 1ny1 h ILE 111 N 0.79 1.24 -0.74 1.22 1.08 -1.02 -1.68 117.51 118.40 1ny1 h ILE 111 Ca 0.12 -0.44 -0.06 0.00 -0.39 0.00 0.00 64.86 64.09 1ny1 h ILE 111 Cb 0.70 -0.16 -0.03 0.00 -3.07 0.00 0.00 36.82 34.26 1ny1 h ILE 111 CO 0.05 0.24 0.22 0.50 -0.69 0.00 0.00 178.15 178.47 1ny1 h LYS 112 N 1.29 1.16 -1.38 2.37 1.63 -0.95 -2.16 116.57 118.52 1ny1 h LYS 112 Ca 0.35 -0.25 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 1ny1 h LYS 112 Cb -0.14 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.33 1ny1 h LYS 112 CO -0.08 0.99 0.00 0.54 -3.45 0.00 0.00 179.45 177.45 1ny1 n ARG 113 N -4.24 0.18 0.00 1.90 1.74 -0.55 -0.57 116.66 115.12 1ny1 n ARG 113 Ca 0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 1ny1 n ARG 113 Cb 0.24 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 1ny1 n ARG 113 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1ny1 n SER 115 N 0.78 0.00 0.21 0.55 2.88 -0.81 -0.31 113.62 116.91 1ny1 n SER 115 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 1ny1 n SER 115 Cb 0.08 0.00 0.46 0.00 -0.75 0.00 0.00 64.21 64.00 1ny1 n SER 115 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1ny1 h ASP 116 N 0.00 0.00 -0.37 -3.46 3.32 -1.11 -2.89 116.42 111.91 1ny1 h ASP 116 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ny1 h ASP 116 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ny1 h ASP 116 CO 0.00 0.29 0.00 -0.62 -1.72 0.00 0.00 179.24 177.19 1ny1 n GLU 117 N -3.96 3.08 -1.01 3.56 1.02 0.57 -4.92 120.64 118.98 1ny1 n GLU 117 Ca -0.02 -1.86 -0.00 0.00 -0.02 0.00 0.00 57.16 55.26 1ny1 n GLU 117 Cb 0.36 -1.83 -0.00 0.00 -0.02 0.00 0.00 31.44 29.94 1ny1 n GLU 117 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ny1 n GLY 118 N 0.57 0.47 3.92 0.62 0.00 -1.09 -5.02 105.19 104.66 1ny1 n GLY 118 Ca 0.17 -0.23 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 1ny1 n GLY 118 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ny1 s HIS 119 N -1.94 3.07 -0.15 1.61 3.76 -1.26 -4.82 115.29 115.56 1ny1 s HIS 119 Ca 0.00 0.56 -0.05 0.00 -0.15 0.00 0.00 55.06 55.42 1ny1 s HIS 119 Cb 0.00 -3.01 -0.04 0.00 1.11 0.00 0.00 32.58 30.64 1ny1 s HIS 119 CO 0.00 -1.17 0.03 0.42 -0.85 0.00 0.00 174.74 173.17 1ny1 s ILE 120 N -3.16 4.54 -0.35 0.60 1.01 -0.36 -4.53 121.20 118.96 1ny1 s ILE 120 Ca 0.58 -0.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.98 1ny1 s ILE 120 Cb -0.11 -3.00 0.01 0.00 0.01 0.00 0.00 42.46 39.37 1ny1 s ILE 120 CO 0.45 0.52 0.20 -0.63 0.00 0.00 0.00 174.94 175.48 1ny1 s ILE 121 N -0.07 4.76 0.50 2.92 1.01 -1.26 -0.15 121.20 128.90 1ny1 s ILE 121 Ca 0.05 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.15 1ny1 s ILE 121 Cb -0.12 -3.54 0.02 0.00 0.01 0.00 0.00 42.46 38.83 1ny1 s ILE 121 CO 0.02 -0.10 0.70 -0.83 0.00 0.00 0.00 174.94 174.72 1ny1 s GLY 122 N 1.61 1.82 -0.25 6.18 0.00 0.18 -4.75 107.32 112.12 1ny1 s GLY 122 Ca 0.04 -1.39 -0.10 0.00 0.00 0.00 0.00 44.72 43.27 1ny1 s GLY 122 CO 0.07 -1.15 0.15 0.21 0.00 0.00 0.00 173.10 172.38 1ny1 s ASN 123 N -4.37 5.94 -0.17 1.64 3.84 0.27 -1.99 114.94 120.10 1ny1 s ASN 123 Ca 0.55 0.04 0.17 0.00 0.21 0.00 0.00 52.86 53.83 1ny1 s ASN 123 Cb -0.10 -2.08 0.45 0.00 -0.55 0.00 0.00 41.25 38.97 1ny1 s ASN 123 CO 0.37 0.03 1.34 1.57 -2.79 0.00 0.00 177.10 177.62 1ny1 n HIS 124 N 4.50 0.65 -0.59 0.43 -0.00 0.22 -2.14 115.22 118.28 1ny1 n HIS 124 Ca -0.15 -0.99 0.02 0.00 -0.00 0.00 0.00 57.72 56.60 1ny1 n HIS 124 Cb 0.52 -0.28 -0.01 0.00 -0.00 0.00 0.00 29.99 30.22 1ny1 n HIS 124 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1ny1 n SER 125 N -0.86 -3.21 0.12 0.26 3.41 -1.25 -4.28 113.62 107.81 1ny1 n SER 125 Ca 0.21 0.69 -0.13 0.00 -0.26 0.00 0.00 58.87 59.37 1ny1 n SER 125 Cb 0.82 -1.49 -0.08 0.00 -0.26 0.00 0.00 64.21 63.21 1ny1 n SER 125 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1ny1 h PHE 126 N -0.09 -0.30 -0.51 7.33 3.04 -1.48 -2.90 116.94 122.05 1ny1 h PHE 126 Ca -0.02 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.92 1ny1 h PHE 126 Cb 0.41 0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.02 1ny1 h PHE 126 CO 0.03 0.04 0.00 0.72 -2.02 0.00 0.00 178.31 177.08 1ny1 n HIS 127 N -5.08 0.66 -3.94 0.41 8.25 -1.26 -0.95 115.22 113.31 1ny1 n HIS 127 Ca -0.09 -0.34 -0.27 0.00 -0.26 0.00 0.00 57.72 56.77 1ny1 n HIS 127 Cb 0.25 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.35 1ny1 n HIS 127 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1ny1 n HIS 128 N 1.56 -1.77 -2.43 4.41 -0.00 -1.25 -4.97 115.22 110.77 1ny1 n HIS 128 Ca 0.21 0.79 -0.25 0.00 0.46 0.00 0.00 57.72 58.93 1ny1 n HIS 128 Cb 0.61 -3.78 0.13 0.00 -0.12 0.00 0.00 29.99 26.83 1ny1 n HIS 128 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1ny1 s PRO 129 N -6.51 1.42 -0.59 1.57 0.04 -1.26 -4.89 135.00 124.78 1ny1 s PRO 129 Ca 0.17 -0.95 -0.26 0.00 0.04 0.00 0.00 61.00 60.00 1ny1 s PRO 129 Cb -0.09 -2.21 0.04 0.00 0.04 0.00 0.00 34.50 32.27 1ny1 s PRO 129 CO 0.87 -1.69 1.10 0.34 0.04 0.00 0.00 177.00 177.66 1ny1 s ASP 130 N -4.78 6.37 0.57 6.66 -1.08 -1.26 -4.41 116.67 118.74 1ny1 s ASP 130 Ca 0.68 -0.16 0.27 0.00 -0.52 0.00 0.00 52.55 52.82 1ny1 s ASP 130 Cb -0.05 -2.51 1.63 0.00 -1.46 0.00 0.00 42.92 40.54 1ny1 s ASP 130 CO 0.46 -1.42 2.15 -0.07 0.52 0.00 0.00 175.17 176.81 1ny1 h LEU 131 N 11.66 0.00 0.00 -1.34 3.38 -1.89 -1.58 115.31 125.54 1ny1 h LEU 131 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1ny1 h LEU 131 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1ny1 h LEU 131 CO 1.16 0.00 0.00 0.35 0.09 0.00 0.00 178.44 180.04 1ny1 n THR 132 N -3.97 1.04 0.49 0.22 -2.24 -1.26 -1.70 114.28 106.85 1ny1 n THR 132 Ca 0.00 0.26 0.09 0.00 -2.27 0.00 0.00 64.05 62.13 1ny1 n THR 132 Cb 0.23 -1.05 0.12 0.00 -2.10 0.00 0.00 70.33 67.53 1ny1 n THR 132 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ny1 n THR 133 N -1.44 0.25 -4.21 4.28 -2.24 -0.59 -4.97 114.28 105.35 1ny1 n THR 133 Ca 0.04 -0.62 -0.32 0.00 -2.27 0.00 0.00 64.05 60.87 1ny1 n THR 133 Cb 0.13 1.15 -0.08 0.00 -2.10 0.00 0.00 70.33 69.43 1ny1 n THR 133 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ny1 s LYS 134 N -1.36 2.77 0.83 -0.78 -0.14 -0.69 -5.09 119.74 115.29 1ny1 s LYS 134 Ca 0.25 -0.66 -0.12 0.00 -1.36 0.00 0.00 55.97 54.08 1ny1 s LYS 134 Cb 0.16 -2.67 0.09 0.00 -1.68 0.00 0.00 37.83 33.73 1ny1 s LYS 134 CO 0.23 0.60 1.17 0.95 -0.76 0.00 0.00 175.35 177.54 1ny1 s THR 135 N -1.18 2.06 0.20 2.17 -4.23 -1.26 -4.77 115.64 108.62 1ny1 s THR 135 Ca 0.22 0.02 -0.11 0.00 -1.18 0.00 0.00 61.69 60.64 1ny1 s THR 135 Cb -0.12 -2.95 0.12 0.00 1.34 0.00 0.00 72.50 70.89 1ny1 s THR 135 CO 0.14 -0.02 1.77 0.00 -0.54 0.00 0.00 174.62 175.96 1ny1 h ALA 136 N -1.16 0.75 -0.69 3.99 0.00 -1.99 0.28 119.26 120.45 1ny1 h ALA 136 Ca -0.47 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1ny1 h ALA 136 Cb 1.33 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1ny1 h ALA 136 CO 0.65 -0.10 0.38 -0.44 0.00 0.00 0.00 179.25 179.74 1ny1 h ASP 137 N 0.50 0.86 -0.61 0.00 3.32 -2.00 -1.07 116.42 117.42 1ny1 h ASP 137 Ca 0.27 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.18 1ny1 h ASP 137 Cb 0.24 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1ny1 h ASP 137 CO -0.22 0.70 0.16 1.56 -1.72 0.00 0.00 179.24 179.72 1ny1 h GLN 138 N 0.95 0.97 -0.48 3.56 4.20 -1.72 -2.21 115.11 120.37 1ny1 h GLN 138 Ca 0.24 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1ny1 h GLN 138 Cb 0.03 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 1ny1 h GLN 138 CO -0.04 0.87 0.25 0.82 -0.67 0.00 0.00 178.83 180.06 1ny1 h ILE 139 N 0.88 1.18 -0.75 2.54 2.04 -0.66 0.48 117.51 123.22 1ny1 h ILE 139 Ca 0.19 -0.48 0.05 0.00 1.00 0.00 0.00 64.86 65.62 1ny1 h ILE 139 Cb 0.33 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 1ny1 h ILE 139 CO -0.00 0.19 0.46 -0.61 0.00 0.00 0.00 178.15 178.19 1ny1 h GLN 140 N 0.63 0.84 -0.31 2.37 4.15 -0.96 -1.77 115.11 120.06 1ny1 h GLN 140 Ca 0.17 -0.05 -0.12 0.00 0.77 0.00 0.00 58.65 59.41 1ny1 h GLN 140 Cb 0.08 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 1ny1 h GLN 140 CO -0.02 0.56 -0.29 0.22 -1.93 0.00 0.00 178.83 177.36 1ny1 h ASP 141 N 0.87 0.79 -0.76 -0.69 3.58 -1.06 -0.06 116.42 119.09 1ny1 h ASP 141 Ca 0.32 -0.46 0.05 0.00 0.42 0.00 0.00 57.03 57.36 1ny1 h ASP 141 Cb 0.11 -0.22 -0.05 0.00 1.72 0.00 0.00 39.33 40.89 1ny1 h ASP 141 CO -0.15 1.09 0.50 -0.33 -2.88 0.00 0.00 179.24 177.48 1ny1 h GLU 142 N 0.51 0.84 0.04 0.28 4.39 -0.50 -1.46 114.58 118.68 1ny1 h GLU 142 Ca 0.05 -0.05 -0.21 0.00 0.34 0.00 0.00 59.36 59.49 1ny1 h GLU 142 Cb 0.86 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 1ny1 h GLU 142 CO 0.07 0.56 -1.13 -0.07 -1.16 0.00 0.00 179.01 177.28 1ny1 h LEU 143 N 0.86 0.15 -1.20 1.33 3.38 -1.27 -0.87 115.31 117.68 1ny1 h LEU 143 Ca 0.32 -0.73 0.02 0.00 0.09 0.00 0.00 57.88 57.58 1ny1 h LEU 143 Cb 0.16 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1ny1 h LEU 143 CO -0.10 1.47 0.55 -0.78 0.09 0.00 0.00 178.44 179.66 1ny1 h ASP 144 N -0.72 0.92 -0.74 -0.43 3.58 -0.98 -2.23 116.42 115.83 1ny1 h ASP 144 Ca -0.28 -0.02 0.09 0.00 0.42 0.00 0.00 57.03 57.24 1ny1 h ASP 144 Cb 1.44 -0.22 -0.05 0.00 1.72 0.00 0.00 39.33 42.22 1ny1 h ASP 144 CO -0.07 0.65 0.48 0.77 -2.88 0.00 0.00 179.24 178.20 1ny1 h SER 145 N 1.08 0.61 -0.05 2.28 4.64 -1.44 0.16 113.55 120.84 1ny1 h SER 145 Ca 0.31 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.63 1ny1 h SER 145 Cb -0.07 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 61.91 1ny1 h SER 145 CO -0.08 0.37 -0.01 0.58 -0.87 0.00 0.00 176.83 176.83 1ny1 h VAL 146 N 0.68 1.28 -0.93 0.95 2.07 -1.55 -2.23 116.25 116.53 1ny1 h VAL 146 Ca 0.33 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1ny1 h VAL 146 Cb 0.40 1.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.90 1ny1 h VAL 146 CO -0.12 0.24 0.59 0.78 0.02 0.00 0.00 177.57 179.07 1ny1 h ASN 147 N -0.25 1.09 -0.09 0.57 -0.26 -1.31 -0.32 115.58 115.02 1ny1 h ASN 147 Ca 0.01 -0.05 0.03 0.00 -0.56 0.00 0.00 56.30 55.74 1ny1 h ASN 147 Cb 0.38 -0.27 -0.04 0.00 -1.06 0.00 0.00 38.32 37.33 1ny1 h ASN 147 CO 0.00 0.82 -0.14 -0.08 -1.06 0.00 0.00 177.43 176.97 1ny1 h GLU 148 N 1.27 -0.19 -0.57 0.81 4.57 -0.61 0.15 114.58 120.02 1ny1 h GLU 148 Ca 0.34 0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.42 1ny1 h GLU 148 Cb -0.10 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 1ny1 h GLU 148 CO -0.07 -0.13 -0.08 1.49 -1.18 0.00 0.00 179.01 179.05 1ny1 h GLU 149 N -0.20 1.05 -0.62 1.92 4.57 -1.04 -2.16 114.58 118.10 1ny1 h GLU 149 Ca 0.08 -0.37 -0.01 0.00 -1.18 0.00 0.00 59.36 57.87 1ny1 h GLU 149 Cb 0.31 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 1ny1 h GLU 149 CO -0.21 1.07 0.34 0.28 -1.18 0.00 0.00 179.01 179.32 1ny1 h VAL 150 N 0.94 1.20 -0.76 0.32 2.07 -0.71 -2.70 116.25 116.61 1ny1 h VAL 150 Ca 0.15 -0.50 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 1ny1 h VAL 150 Cb 0.65 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1ny1 h VAL 150 CO 0.04 0.21 0.31 0.22 0.02 0.00 0.00 177.57 178.38 1ny1 h TYR 151 N 0.84 1.15 -0.28 1.57 5.03 -0.49 0.15 116.97 124.94 1ny1 h TYR 151 Ca 0.22 -0.08 0.06 0.00 2.58 0.00 0.00 58.73 61.51 1ny1 h TYR 151 Cb 0.04 -0.35 -0.01 0.00 1.55 0.00 0.00 36.73 37.96 1ny1 h TYR 151 CO -0.01 0.87 0.19 -0.22 -1.32 0.00 0.00 178.16 177.67 1ny1 h LYS 152 N 1.11 0.11 0.02 1.82 3.64 -1.08 0.86 116.57 123.04 1ny1 h LYS 152 Ca 0.26 -0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 59.41 1ny1 h LYS 152 Cb 0.20 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 1ny1 h LYS 152 CO -0.02 0.07 -1.18 0.82 -2.27 0.00 0.00 179.45 176.88 1ny1 h ILE 153 N 0.11 1.01 0.00 2.00 2.04 -1.05 -3.42 117.51 118.21 1ny1 h ILE 153 Ca 0.13 -2.23 -0.13 0.00 1.00 0.00 0.00 64.86 63.62 1ny1 h ILE 153 Cb 0.36 2.44 -0.02 0.00 -0.74 0.00 0.00 36.82 38.85 1ny1 h ILE 153 CO -0.01 0.43 -1.78 0.35 0.00 0.00 0.00 178.15 177.13 1ny1 n THR 154 N -4.33 0.75 -1.07 -0.27 -2.24 0.42 -4.94 114.28 102.60 1ny1 n THR 154 Ca -0.29 -0.64 -0.03 0.00 -2.27 0.00 0.00 64.05 60.82 1ny1 n THR 154 Cb 0.71 -0.37 -0.01 0.00 -2.10 0.00 0.00 70.33 68.56 1ny1 n THR 154 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ny1 n GLY 155 N 1.40 0.52 3.38 3.38 0.00 0.30 -4.97 105.19 109.19 1ny1 n GLY 155 Ca -0.12 -0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.51 1ny1 n GLY 155 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ny1 s LYS 156 N -1.37 1.52 -0.21 1.61 1.02 -1.26 -5.04 119.74 116.01 1ny1 s LYS 156 Ca 0.00 -1.84 -0.07 0.00 0.02 0.00 0.00 55.97 54.09 1ny1 s LYS 156 Cb 0.00 -0.51 0.10 0.00 -0.52 0.00 0.00 37.83 36.90 1ny1 s LYS 156 CO 0.00 -0.26 0.43 -1.14 -0.92 0.00 0.00 175.35 173.46 1ny1 s GLN 157 N -3.97 0.34 0.95 1.68 0.74 -1.26 -4.19 119.66 113.96 1ny1 s GLN 157 Ca 0.37 1.01 -0.13 0.00 0.05 0.00 0.00 55.36 56.66 1ny1 s GLN 157 Cb 0.08 0.29 0.16 0.00 1.10 0.00 0.00 33.01 34.64 1ny1 s GLN 157 CO 0.15 -0.29 1.13 -0.51 -0.55 0.00 0.00 175.29 175.22 1ny1 s ASP 158 N 2.62 3.12 0.72 6.67 1.11 -1.26 -5.00 116.67 124.65 1ny1 s ASP 158 Ca -0.00 0.95 -0.15 0.00 0.18 0.00 0.00 52.55 53.52 1ny1 s ASP 158 Cb -0.12 -1.50 0.03 0.00 1.07 0.00 0.00 42.92 42.40 1ny1 s ASP 158 CO -0.13 -2.79 1.23 0.20 1.18 0.00 0.00 175.17 174.85 1ny1 s ASN 159 N -3.94 4.19 -0.54 0.27 0.01 -1.26 -4.87 114.94 108.80 1ny1 s ASN 159 Ca 0.65 2.43 -0.28 0.00 -0.71 0.00 0.00 52.86 54.95 1ny1 s ASN 159 Cb -0.15 -2.60 0.01 0.00 0.41 0.00 0.00 41.25 38.92 1ny1 s ASN 159 CO 0.54 -2.27 1.50 -0.76 -1.51 0.00 0.00 177.10 174.60 1ny1 s LEU 160 N -5.05 3.40 -0.01 0.60 1.43 -1.26 -4.93 118.68 112.86 1ny1 s LEU 160 Ca 0.76 0.40 0.07 0.00 -1.03 0.00 0.00 54.13 54.33 1ny1 s LEU 160 Cb -0.31 -3.05 -0.02 0.00 0.03 0.00 0.00 46.19 42.84 1ny1 s LEU 160 CO 0.45 -1.77 -0.23 -0.31 0.23 0.00 0.00 176.35 174.71 1ny1 s TYR 161 N 6.44 2.08 0.02 0.29 2.02 -1.26 -1.37 117.35 125.57 1ny1 s TYR 161 Ca 0.57 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.90 1ny1 s TYR 161 Cb -0.12 -1.33 -0.02 0.00 -0.40 0.00 0.00 41.96 40.09 1ny1 s TYR 161 CO 0.25 -0.03 -0.09 -1.17 -1.57 0.00 0.00 175.55 172.94 1ny1 s LEU 162 N -0.58 2.14 -0.18 -1.29 2.96 0.58 -0.56 118.68 121.75 1ny1 s LEU 162 Ca 0.09 -0.36 -0.01 0.00 -0.22 0.00 0.00 54.13 53.63 1ny1 s LEU 162 Cb -0.09 -0.37 0.05 0.00 0.50 0.00 0.00 46.19 46.27 1ny1 s LEU 162 CO -0.01 -0.02 -0.03 -0.60 -1.32 0.00 0.00 176.35 174.37 1ny1 s ARG 163 N -0.90 1.25 0.22 1.98 3.52 -0.91 0.02 118.95 124.13 1ny1 s ARG 163 Ca -0.01 -0.55 -0.32 0.00 -0.13 0.00 0.00 55.73 54.72 1ny1 s ARG 163 Cb -0.06 -2.08 -0.13 0.00 -1.56 0.00 0.00 34.95 31.11 1ny1 s ARG 163 CO 0.00 -0.50 1.47 -2.30 -0.81 0.00 0.00 175.30 173.16 1ny1 n PRO 164 N 4.89 2.12 -1.65 5.12 -0.02 -1.26 -4.59 135.00 139.61 1ny1 n PRO 164 Ca -0.11 0.76 -0.48 0.00 -2.02 0.00 0.00 63.50 61.65 1ny1 n PRO 164 Cb 0.47 -2.46 -0.05 0.00 -0.02 0.00 0.00 33.50 31.45 1ny1 n PRO 164 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1ny1 n PRO 165 N 2.45 1.87 -1.51 0.52 -0.02 -1.26 -0.63 135.00 136.42 1ny1 n PRO 165 Ca 0.13 0.67 -0.18 0.00 -2.02 0.00 0.00 63.50 62.11 1ny1 n PRO 165 Cb 0.31 -2.41 -0.08 0.00 -0.02 0.00 0.00 33.50 31.31 1ny1 n PRO 165 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1ny1 n ARG 166 N 3.23 -1.54 -1.29 -0.52 0.63 -1.26 -1.99 116.66 113.92 1ny1 n ARG 166 Ca 0.17 1.12 -0.10 0.00 -0.92 0.00 0.00 57.85 58.13 1ny1 n ARG 166 Cb 0.26 -5.53 -0.04 0.00 0.45 0.00 0.00 32.46 27.60 1ny1 n ARG 166 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ny1 n GLY 167 N -0.18 1.07 3.69 5.14 0.00 0.20 -4.76 105.19 110.35 1ny1 n GLY 167 Ca -0.18 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 1ny1 n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ny1 s VAL 168 N -2.15 5.22 0.00 1.61 1.01 -0.84 -0.42 120.40 124.83 1ny1 s VAL 168 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 61.98 62.69 1ny1 s VAL 168 Cb 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1ny1 s VAL 168 CO 0.00 0.30 0.00 2.22 0.00 0.00 0.00 175.10 177.62 1ny1 n PHE 169 N 4.09 -0.26 -3.70 5.22 -1.74 0.49 -4.52 117.46 117.05 1ny1 n PHE 169 Ca -0.09 0.00 -0.00 0.00 -0.56 0.00 0.00 57.45 56.80 1ny1 n PHE 169 Cb 0.51 0.00 -0.01 0.00 1.52 0.00 0.00 39.48 41.51 1ny1 n PHE 169 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 1ny1 s SER 170 N 0.10 -0.09 0.28 5.98 1.04 -1.26 0.16 113.70 119.91 1ny1 s SER 170 Ca 0.00 -0.26 -0.03 0.00 0.48 0.00 0.00 55.95 56.14 1ny1 s SER 170 Cb 0.00 0.30 0.38 0.00 0.10 0.00 0.00 66.02 66.79 1ny1 s SER 170 CO 0.00 -0.55 1.88 -0.08 0.98 0.00 0.00 173.24 175.47 1ny1 h GLU 171 N 2.00 1.00 -0.56 4.02 4.81 -1.82 -0.72 114.58 123.30 1ny1 h GLU 171 Ca -0.28 -0.14 0.01 0.00 -0.13 0.00 0.00 59.36 58.83 1ny1 h GLU 171 Cb 1.21 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.38 1ny1 h GLU 171 CO 0.28 0.77 0.36 -0.92 -0.73 0.00 0.00 179.01 178.77 1ny1 h TYR 172 N 0.99 0.68 -0.55 0.92 3.20 -1.66 0.19 116.97 120.74 1ny1 h TYR 172 Ca 0.24 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 62.03 1ny1 h TYR 172 Cb 0.11 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 1ny1 h TYR 172 CO 0.01 0.41 -0.04 0.28 -1.64 0.00 0.00 178.16 177.18 1ny1 h VAL 173 N 0.72 1.27 -0.47 1.81 2.07 -1.73 -1.08 116.25 118.84 1ny1 h VAL 173 Ca 0.22 -1.17 -0.10 0.00 0.82 0.00 0.00 66.70 66.46 1ny1 h VAL 173 Cb -0.04 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1ny1 h VAL 173 CO -0.07 0.42 -0.11 -0.07 0.02 0.00 0.00 177.57 177.76 1ny1 h LEU 174 N 0.88 0.91 -0.16 2.57 3.38 -0.77 -1.19 115.31 120.92 1ny1 h LEU 174 Ca 0.15 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1ny1 h LEU 174 Cb 0.59 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1ny1 h LEU 174 CO 0.04 1.06 0.03 0.50 0.09 0.00 0.00 178.44 180.16 1ny1 h LYS 175 N 0.75 0.27 -0.28 1.13 3.64 -0.53 -1.91 116.57 119.64 1ny1 h LYS 175 Ca 0.12 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 1ny1 h LYS 175 Cb 0.66 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 1ny1 h LYS 175 CO 0.05 0.43 0.02 0.93 -2.27 0.00 0.00 179.45 178.60 1ny1 h GLU 176 N 0.06 0.48 -0.52 1.90 4.39 -1.18 -1.48 114.58 118.24 1ny1 h GLU 176 Ca 0.05 -0.15 -0.07 0.00 0.34 0.00 0.00 59.36 59.54 1ny1 h GLU 176 Cb 0.29 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1ny1 h GLU 176 CO 0.00 0.62 0.05 1.79 -1.16 0.00 0.00 179.01 180.31 1ny1 h THR 177 N 0.28 1.24 -0.38 1.13 1.35 -1.25 -1.78 112.91 113.49 1ny1 h THR 177 Ca 0.08 -0.96 -0.09 0.00 -0.55 0.00 0.00 66.41 64.89 1ny1 h THR 177 Cb 0.40 0.79 -0.02 0.00 -1.73 0.00 0.00 68.15 67.59 1ny1 h THR 177 CO 0.01 0.34 -0.13 0.50 -0.25 0.00 0.00 175.52 175.99 1ny1 h LYS 178 N 0.79 0.68 -0.03 4.72 3.64 -1.27 0.04 116.57 125.14 1ny1 h LYS 178 Ca 0.16 -0.22 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 1ny1 h LYS 178 Cb 0.41 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1ny1 h LYS 178 CO 0.01 0.79 -0.22 -0.09 -2.27 0.00 0.00 179.45 177.67 1ny1 h ARG 179 N 0.62 0.05 -0.05 1.90 2.43 -0.61 -0.53 114.38 118.18 1ny1 h ARG 179 Ca 0.10 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1ny1 h ARG 179 Cb 0.58 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1ny1 h ARG 179 CO 0.04 0.27 0.00 1.28 -1.51 0.00 0.00 179.97 180.04 1ny1 n LEU 180 N -4.26 0.51 0.00 3.80 4.77 -0.67 -4.88 117.00 116.26 1ny1 n LEU 180 Ca -0.02 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1ny1 n LEU 180 Cb 0.29 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1ny1 n LEU 180 CO 0.37 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1ny1 n GLY 181 N 0.90 0.62 3.82 -0.72 0.00 -0.21 -5.05 105.19 104.56 1ny1 n GLY 181 Ca 0.15 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 1ny1 n GLY 181 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ny1 s TYR 182 N -2.00 3.75 -0.27 1.61 2.02 -0.09 -4.62 117.35 117.75 1ny1 s TYR 182 Ca 0.00 1.09 -0.10 0.00 -0.37 0.00 0.00 57.07 57.69 1ny1 s TYR 182 Cb 0.00 -2.37 -0.04 0.00 -0.40 0.00 0.00 41.96 39.14 1ny1 s TYR 182 CO 0.00 0.60 0.15 -1.14 -1.57 0.00 0.00 175.55 173.60 1ny1 s GLN 183 N -1.00 3.86 -0.13 -0.62 2.00 -0.47 -3.91 119.66 119.39 1ny1 s GLN 183 Ca 0.26 -0.37 -0.23 0.00 -2.00 0.00 0.00 55.36 53.01 1ny1 s GLN 183 Cb -0.18 -3.55 -0.03 0.00 0.80 0.00 0.00 33.01 30.05 1ny1 s GLN 183 CO 0.15 -0.18 0.72 0.99 -0.50 0.00 0.00 175.29 176.47 1ny1 s THR 184 N 1.71 4.99 -0.24 -0.34 2.01 -1.26 -0.31 115.64 122.21 1ny1 s THR 184 Ca 0.07 1.44 -0.02 0.00 0.31 0.00 0.00 61.69 63.49 1ny1 s THR 184 Cb -0.16 -4.05 0.01 0.00 0.01 0.00 0.00 72.50 68.32 1ny1 s THR 184 CO 0.09 0.15 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.42 1ny1 s VAL 185 N 1.46 3.02 0.00 3.82 1.01 0.10 -2.89 120.40 126.92 1ny1 s VAL 185 Ca 0.36 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.51 1ny1 s VAL 185 Cb -0.17 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.75 1ny1 s VAL 185 CO 0.15 0.30 0.00 0.49 0.00 0.00 0.00 175.10 176.04 1ny1 n PHE 186 N 4.72 0.00 -3.72 5.22 3.72 -0.16 -4.52 117.46 122.72 1ny1 n PHE 186 Ca -0.17 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.13 1ny1 n PHE 186 Cb 0.49 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.00 1ny1 n PHE 186 CO 0.00 0.00 0.00 1.67 -0.05 0.00 0.00 176.76 178.38 1ny1 s TRP 187 N 3.43 -0.23 0.00 1.38 -2.14 -1.26 -4.80 118.94 115.33 1ny1 s TRP 187 Ca 0.00 -0.13 0.00 0.00 2.66 0.00 0.00 56.10 58.63 1ny1 s TRP 187 Cb 0.00 0.55 0.00 0.00 -3.10 0.00 0.00 33.47 30.92 1ny1 s TRP 187 CO 0.00 -1.03 0.06 -1.13 -2.66 0.00 0.00 176.95 172.19 1ny1 n SER 188 N -0.40 0.12 -3.77 -2.66 3.41 0.02 -4.84 113.62 105.50 1ny1 n SER 188 Ca -0.09 -0.51 -0.15 0.00 -0.26 0.00 0.00 58.87 57.86 1ny1 n SER 188 Cb 0.62 0.73 -0.16 0.00 -0.26 0.00 0.00 64.21 65.14 1ny1 n SER 188 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ny1 s VAL 189 N -0.73 -0.06 -0.07 -3.33 1.01 -0.88 -4.65 120.40 111.70 1ny1 s VAL 189 Ca 0.00 0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 1ny1 s VAL 189 Cb 0.00 -0.08 0.10 0.00 0.00 0.00 0.00 36.38 36.40 1ny1 s VAL 189 CO 0.00 0.09 0.84 0.00 0.00 0.00 0.00 175.10 176.03 1ny1 s ALA 190 N 1.05 -1.83 0.35 5.51 0.00 -1.26 -0.48 121.76 125.10 1ny1 s ALA 190 Ca -0.09 1.30 -0.06 0.00 0.00 0.00 0.00 51.96 53.11 1ny1 s ALA 190 Cb -0.13 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 22.88 1ny1 s ALA 190 CO -0.03 -0.44 0.55 -0.59 0.00 0.00 0.00 175.76 175.25 1ny1 s PHE 191 N -1.74 0.83 -1.09 0.00 -0.71 -1.26 -5.06 117.98 108.94 1ny1 s PHE 191 Ca -0.03 -1.17 -0.21 0.00 -1.04 0.00 0.00 56.93 54.48 1ny1 s PHE 191 Cb -0.00 0.14 0.07 0.00 -1.21 0.00 0.00 43.02 42.01 1ny1 s PHE 191 CO 0.01 -1.24 1.50 0.08 -1.34 0.00 0.00 175.22 174.23 1ny1 s VAL 192 N -2.88 4.08 -0.13 -2.49 1.01 -1.26 -4.60 120.40 114.13 1ny1 s VAL 192 Ca 0.27 -1.20 0.14 0.00 0.00 0.00 0.00 61.98 61.19 1ny1 s VAL 192 Cb -0.02 -5.07 0.32 0.00 0.00 0.00 0.00 36.38 31.62 1ny1 s VAL 192 CO 0.18 -1.92 1.16 -0.90 0.00 0.00 0.00 175.10 173.63 1ny1 n ASP 193 N 8.44 1.62 0.00 3.32 5.75 -1.26 -4.67 116.55 129.75 1ny1 n ASP 193 Ca 0.37 -3.11 0.00 0.00 -0.01 0.00 0.00 54.79 52.03 1ny1 n ASP 193 Cb 0.49 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 1ny1 n ASP 193 CO 0.00 0.00 0.00 -2.67 -0.11 0.00 0.00 177.20 174.42 1ny1 n TRP 194 N -0.86 0.00 -2.85 2.11 4.27 -1.26 -3.97 117.44 114.87 1ny1 n TRP 194 Ca 0.14 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.32 1ny1 n TRP 194 Cb 0.74 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.65 1ny1 n TRP 194 CO 0.00 0.00 0.00 0.15 -2.29 0.00 0.00 177.69 175.55 1ny1 s LYS 195 N -0.22 3.11 0.43 -2.67 1.02 -1.26 -4.90 119.74 115.25 1ny1 s LYS 195 Ca 0.00 -0.82 0.16 0.00 0.02 0.00 0.00 55.97 55.34 1ny1 s LYS 195 Cb 0.00 -4.22 0.95 0.00 -0.52 0.00 0.00 37.83 34.03 1ny1 s LYS 195 CO 0.00 -1.81 1.92 0.82 -0.92 0.00 0.00 175.35 175.36 1ny1 h ILE 196 N 5.97 1.08 0.00 2.17 1.08 -1.94 -2.40 117.51 123.47 1ny1 h ILE 196 Ca -0.29 -0.92 0.00 0.00 -0.39 0.00 0.00 64.86 63.26 1ny1 h ILE 196 Cb 1.07 1.51 0.00 0.00 -3.07 0.00 0.00 36.82 36.33 1ny1 h ILE 196 CO 1.18 0.25 0.00 -0.46 -0.69 0.00 0.00 178.15 178.44 1ny1 n ASN 197 N -4.07 0.00 -2.95 1.72 6.94 -1.26 -4.10 115.26 111.54 1ny1 n ASN 197 Ca -0.02 -0.33 -0.13 0.00 -0.02 0.00 0.00 54.58 54.08 1ny1 n ASN 197 Cb 0.32 -0.19 -0.01 0.00 -2.36 0.00 0.00 39.78 37.54 1ny1 n ASN 197 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1ny1 n ASN 198 N -1.19 -2.09 -4.50 0.53 4.05 -0.91 -5.09 115.26 106.07 1ny1 n ASN 198 Ca 0.15 -2.91 -0.43 0.00 0.45 0.00 0.00 54.58 51.84 1ny1 n ASN 198 Cb 0.17 0.93 -0.04 0.00 1.23 0.00 0.00 39.78 42.07 1ny1 n ASN 198 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1ny1 s GLN 199 N 0.29 3.25 0.30 1.20 -0.21 -1.22 -4.77 119.66 118.51 1ny1 s GLN 199 Ca 0.32 -0.48 0.26 0.00 0.02 0.00 0.00 55.36 55.48 1ny1 s GLN 199 Cb 0.11 -4.09 0.98 0.00 1.00 0.00 0.00 33.01 31.01 1ny1 s GLN 199 CO -0.15 -1.50 1.76 0.87 -2.12 0.00 0.00 175.29 174.15 1ny1 h LYS 200 N 9.30 0.00 0.00 2.91 1.57 -1.90 -3.47 116.57 124.98 1ny1 h LYS 200 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1ny1 h LYS 200 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1ny1 h LYS 200 CO 1.08 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 180.37 1ny1 n GLY 201 N 0.33 -2.84 0.06 3.86 0.00 -1.26 -4.59 105.19 100.76 1ny1 n GLY 201 Ca 0.03 -2.17 -0.12 0.00 0.00 0.00 0.00 46.02 43.75 1ny1 n GLY 201 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ny1 h LYS 202 N 2.48 0.04 -0.79 1.61 3.64 -1.81 -3.22 116.57 118.51 1ny1 h LYS 202 Ca 0.00 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.44 1ny1 h LYS 202 Cb 0.00 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.75 1ny1 h LYS 202 CO 0.00 0.30 0.47 -0.22 -2.27 0.00 0.00 179.45 177.73 1ny1 h LYS 203 N -0.22 0.80 -0.17 1.90 3.64 -1.95 -0.06 116.57 120.51 1ny1 h LYS 203 Ca 0.01 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1ny1 h LYS 203 Cb 0.28 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1ny1 h LYS 203 CO 0.00 0.53 -0.04 -0.92 -2.27 0.00 0.00 179.45 176.75 1ny1 h TYR 204 N 0.83 -0.09 -0.20 1.91 3.20 -1.80 0.47 116.97 121.28 1ny1 h TYR 204 Ca 0.36 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.19 1ny1 h TYR 204 Cb 0.25 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1ny1 h TYR 204 CO -0.06 -0.07 -0.09 0.00 -1.64 0.00 0.00 178.16 176.30 1ny1 h ALA 205 N 1.17 0.28 -0.03 1.82 0.00 -1.50 -2.89 119.26 118.11 1ny1 h ALA 205 Ca 0.08 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.72 1ny1 h ALA 205 Cb 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1ny1 h ALA 205 CO -0.18 0.11 -0.08 -0.92 0.00 0.00 0.00 179.25 178.19 1ny1 h TYR 206 N 0.12 -0.19 -0.87 0.00 5.03 -0.86 -2.60 116.97 117.60 1ny1 h TYR 206 Ca 0.05 0.01 0.10 0.00 2.58 0.00 0.00 58.73 61.46 1ny1 h TYR 206 Cb 0.58 0.09 -0.06 0.00 1.55 0.00 0.00 36.73 38.88 1ny1 h TYR 206 CO 0.06 -0.12 0.57 -0.44 -1.32 0.00 0.00 178.16 176.91 1ny1 h ASP 207 N -0.12 0.77 0.00 -2.11 3.32 -0.93 -1.92 116.42 115.43 1ny1 h ASP 207 Ca 0.04 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1ny1 h ASP 207 Cb 0.17 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1ny1 h ASP 207 CO -0.10 0.45 0.00 1.41 -1.72 0.00 0.00 179.24 179.28 1ny1 n HIS 208 N -4.53 0.00 0.00 4.55 8.25 -0.98 -1.10 115.22 121.41 1ny1 n HIS 208 Ca 0.15 -0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1ny1 n HIS 208 Cb 0.32 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.28 1ny1 n HIS 208 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1ny1 n ILE 210 N 0.70 0.00 -0.23 1.59 2.08 -0.72 -1.13 119.36 121.64 1ny1 n ILE 210 Ca 0.00 0.00 -0.08 0.00 0.56 0.00 0.00 62.75 63.23 1ny1 n ILE 210 Cb 0.21 0.00 0.05 0.00 -0.75 0.00 0.00 39.64 39.15 1ny1 n ILE 210 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 1ny1 h LYS 211 N 0.00 1.10 -0.00 0.38 3.64 -1.36 -2.99 116.57 117.34 1ny1 h LYS 211 Ca 0.00 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1ny1 h LYS 211 Cb 0.00 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1ny1 h LYS 211 CO 0.00 1.01 -0.10 1.04 -2.27 0.00 0.00 179.45 179.13 1ny1 n GLN 212 N -4.21 0.67 -1.70 1.90 6.02 -0.29 -4.55 117.38 115.21 1ny1 n GLN 212 Ca 0.04 -0.21 -0.42 0.00 -0.01 0.00 0.00 57.00 56.40 1ny1 n GLN 212 Cb 0.29 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 30.05 1ny1 n GLN 212 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ny1 n ALA 213 N -0.98 1.38 -3.44 -1.58 0.00 -1.13 -4.78 120.51 109.97 1ny1 n ALA 213 Ca 0.14 0.35 -0.12 0.00 0.00 0.00 0.00 53.44 53.81 1ny1 n ALA 213 Cb 0.27 -2.27 -0.03 0.00 0.00 0.00 0.00 19.45 17.43 1ny1 n ALA 213 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1ny1 s HIS 214 N -1.11 -0.53 0.19 0.00 -3.43 -1.26 -4.32 115.29 104.83 1ny1 s HIS 214 Ca 0.56 0.43 -0.33 0.00 -0.80 0.00 0.00 55.06 54.92 1ny1 s HIS 214 Cb -0.56 0.54 -0.13 0.00 -1.43 0.00 0.00 32.58 31.00 1ny1 s HIS 214 CO 0.62 -0.78 1.63 -2.30 -2.00 0.00 0.00 174.74 171.91 1ny1 n PRO 215 N -0.17 2.42 -0.98 -0.38 -0.02 -1.26 -1.63 135.00 132.98 1ny1 n PRO 215 Ca -0.16 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1ny1 n PRO 215 Cb 0.63 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 1ny1 n PRO 215 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ny1 n GLY 216 N 3.48 0.49 3.77 -1.23 0.00 0.23 -4.42 105.19 107.51 1ny1 n GLY 216 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1ny1 n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ny1 s ALA 217 N -2.17 3.62 -0.29 4.61 0.00 -0.65 -0.55 121.76 126.33 1ny1 s ALA 217 Ca 0.00 1.53 -0.02 0.00 0.00 0.00 0.00 51.96 53.47 1ny1 s ALA 217 Cb 0.00 -3.61 0.04 0.00 0.00 0.00 0.00 23.12 19.55 1ny1 s ALA 217 CO 0.00 -0.98 -0.00 0.42 0.00 0.00 0.00 175.76 175.20 1ny1 s ILE 218 N -0.72 3.09 0.14 0.00 1.01 -1.26 -0.92 121.20 122.54 1ny1 s ILE 218 Ca 0.56 -1.24 -0.22 0.00 0.00 0.00 0.00 60.65 59.75 1ny1 s ILE 218 Cb -0.46 -2.72 -0.08 0.00 0.01 0.00 0.00 42.46 39.22 1ny1 s ILE 218 CO 0.57 -0.03 0.69 -0.31 0.00 0.00 0.00 174.94 175.86 1ny1 s TYR 219 N 1.30 3.84 -0.27 3.97 4.12 -0.38 -0.80 117.35 129.14 1ny1 s TYR 219 Ca -0.03 1.47 -0.01 0.00 0.02 0.00 0.00 57.07 58.52 1ny1 s TYR 219 Cb -0.19 -2.65 0.04 0.00 -1.52 0.00 0.00 41.96 37.64 1ny1 s TYR 219 CO -0.01 0.52 -0.05 -1.17 0.02 0.00 0.00 175.55 174.87 1ny1 s LEU 220 N -1.23 3.48 0.25 -1.29 0.20 0.37 -1.15 118.68 119.31 1ny1 s LEU 220 Ca 0.34 -1.09 0.10 0.00 0.69 0.00 0.00 54.13 54.18 1ny1 s LEU 220 Cb -0.21 -1.67 -0.05 0.00 -0.43 0.00 0.00 46.19 43.83 1ny1 s LEU 220 CO 0.23 -0.19 -0.18 -0.76 -0.29 0.00 0.00 176.35 175.17 1ny1 s LEU 221 N 1.27 2.58 0.33 -0.68 1.43 -0.19 -4.48 118.68 118.94 1ny1 s LEU 221 Ca -0.03 -1.03 0.10 0.00 -1.03 0.00 0.00 54.13 52.14 1ny1 s LEU 221 Cb -0.18 -0.94 -0.06 0.00 0.03 0.00 0.00 46.19 45.04 1ny1 s LEU 221 CO -0.03 -0.04 -0.07 -1.00 0.23 0.00 0.00 176.35 175.43 1ny1 s HIS 222 N -2.68 2.45 -0.11 0.29 3.76 -1.26 -1.32 115.29 116.41 1ny1 s HIS 222 Ca 0.27 -0.44 0.14 0.00 -0.15 0.00 0.00 55.06 54.89 1ny1 s HIS 222 Cb -0.03 -1.35 0.27 0.00 1.11 0.00 0.00 32.58 32.57 1ny1 s HIS 222 CO 0.12 0.57 1.14 0.25 -0.85 0.00 0.00 174.74 175.97 1ny1 n THR 223 N -0.83 1.49 0.47 1.30 -2.24 -1.26 -4.77 114.28 108.45 1ny1 n THR 223 Ca -0.05 -1.97 0.10 0.00 -2.27 0.00 0.00 64.05 59.87 1ny1 n THR 223 Cb 0.62 -0.03 -0.14 0.00 -2.10 0.00 0.00 70.33 68.68 1ny1 n THR 223 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1ny1 n VAL 224 N -1.00 0.00 -3.31 2.28 0.24 -1.26 -4.13 118.33 111.14 1ny1 n VAL 224 Ca 0.13 -0.25 -0.36 0.00 -2.04 0.00 0.00 64.34 61.81 1ny1 n VAL 224 Cb 0.69 0.50 -0.06 0.00 -1.47 0.00 0.00 33.84 33.50 1ny1 n VAL 224 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1ny1 s SER 225 N -3.72 6.92 0.07 -1.34 0.15 -1.25 -4.82 113.70 109.70 1ny1 s SER 225 Ca -0.00 1.16 -0.37 0.00 0.70 0.00 0.00 55.95 57.44 1ny1 s SER 225 Cb 0.15 -2.32 -0.17 0.00 -1.71 0.00 0.00 66.02 61.96 1ny1 s SER 225 CO 0.87 0.16 1.27 -1.14 1.20 0.00 0.00 173.24 175.60 1ny1 n ARG 226 N 1.10 0.88 -1.16 5.44 0.63 -1.26 -1.58 116.66 120.71 1ny1 n ARG 226 Ca -0.07 0.32 -0.06 0.00 -0.92 0.00 0.00 57.85 57.12 1ny1 n ARG 226 Cb 0.51 -1.92 -0.02 0.00 0.45 0.00 0.00 32.46 31.48 1ny1 n ARG 226 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1ny1 n ASP 227 N 2.27 -5.13 -0.03 6.15 9.92 -1.26 -4.27 116.55 124.20 1ny1 n ASP 227 Ca 0.19 0.14 0.03 0.00 -0.53 0.00 0.00 54.79 54.61 1ny1 n ASP 227 Cb 0.17 -3.13 0.37 0.00 -0.64 0.00 0.00 41.12 37.89 1ny1 n ASP 227 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1ny1 h ASN 228 N 0.00 0.52 -0.51 -2.24 -1.07 -1.63 -0.37 115.58 110.29 1ny1 h ASN 228 Ca -0.11 -0.03 -0.09 0.00 0.07 0.00 0.00 56.30 56.13 1ny1 h ASN 228 Cb 0.85 -0.13 -0.02 0.00 -2.07 0.00 0.00 38.32 36.95 1ny1 h ASN 228 CO 0.17 0.43 -0.03 0.00 0.07 0.00 0.00 177.43 178.07 1ny1 h ALA 229 N 1.66 0.69 -0.52 4.14 0.00 -1.89 -0.69 119.26 122.65 1ny1 h ALA 229 Ca 0.15 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1ny1 h ALA 229 Cb 0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1ny1 h ALA 229 CO -0.03 0.52 -0.13 0.93 0.00 0.00 0.00 179.25 180.55 1ny1 h GLU 230 N 0.78 0.99 -0.51 0.00 3.07 -1.81 -0.52 114.58 116.58 1ny1 h GLU 230 Ca 0.14 -0.37 -0.03 0.00 -0.50 0.00 0.00 59.36 58.60 1ny1 h GLU 230 Cb 0.56 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.39 1ny1 h GLU 230 CO 0.03 1.05 0.18 0.00 -1.40 0.00 0.00 179.01 178.87 1ny1 h ALA 231 N 0.97 0.66 -0.77 3.43 0.00 -0.88 -1.87 119.26 120.80 1ny1 h ALA 231 Ca 0.13 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1ny1 h ALA 231 Cb 0.69 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1ny1 h ALA 231 CO 0.05 0.30 0.31 1.25 0.00 0.00 0.00 179.25 181.16 1ny1 h LEU 232 N 0.69 1.05 -0.10 0.00 5.85 -0.91 0.53 115.31 122.42 1ny1 h LEU 232 Ca 0.17 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1ny1 h LEU 232 Cb 0.23 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1ny1 h LEU 232 CO -0.01 0.93 -0.05 -0.78 -0.34 0.00 0.00 178.44 178.19 1ny1 h ASP 233 N 1.10 -0.15 -0.64 1.25 3.58 -0.78 -0.07 116.42 120.71 1ny1 h ASP 233 Ca 0.26 0.04 -0.07 0.00 0.42 0.00 0.00 57.03 57.67 1ny1 h ASP 233 Cb 0.20 0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.31 1ny1 h ASP 233 CO -0.02 -0.06 0.11 0.44 -2.88 0.00 0.00 179.24 176.83 1ny1 h ASP 234 N -0.04 1.00 -0.31 2.28 3.32 -1.05 -2.06 116.42 119.57 1ny1 h ASP 234 Ca 0.06 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 1ny1 h ASP 234 Cb 0.12 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1ny1 h ASP 234 CO -0.12 1.00 0.15 0.00 -1.72 0.00 0.00 179.24 178.55 1ny1 h ALA 235 N 1.04 0.40 -0.21 3.45 0.00 -0.58 -0.45 119.26 122.91 1ny1 h ALA 235 Ca 0.19 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1ny1 h ALA 235 Cb 0.42 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1ny1 h ALA 235 CO 0.01 -0.04 0.06 0.82 0.00 0.00 0.00 179.25 180.10 1ny1 h ILE 236 N 0.36 1.19 0.04 0.00 2.04 -0.96 0.16 117.51 120.35 1ny1 h ILE 236 Ca 0.11 -0.62 0.03 0.00 1.00 0.00 0.00 64.86 65.38 1ny1 h ILE 236 Cb 0.12 1.21 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 1ny1 h ILE 236 CO -0.01 0.19 -0.32 0.74 0.00 0.00 0.00 178.15 178.75 1ny1 h THR 237 N 0.16 0.31 -0.24 -0.27 2.02 -1.21 0.55 112.91 114.22 1ny1 h THR 237 Ca 0.07 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.15 1ny1 h THR 237 Cb 0.24 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1ny1 h THR 237 CO -0.00 0.00 -0.27 0.44 0.37 0.00 0.00 175.52 176.06 1ny1 h ASP 238 N -0.50 0.47 -0.21 4.18 3.32 -1.00 -2.26 116.42 120.41 1ny1 h ASP 238 Ca 0.05 -0.16 -0.13 0.00 0.02 0.00 0.00 57.03 56.80 1ny1 h ASP 238 Cb 0.57 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1ny1 h ASP 238 CO -0.24 0.73 -0.34 -0.07 -1.72 0.00 0.00 179.24 177.60 1ny1 h LEU 239 N 0.41 0.76 -0.46 1.55 3.38 -0.39 -2.19 115.31 118.36 1ny1 h LEU 239 Ca 0.06 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1ny1 h LEU 239 Cb 0.69 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1ny1 h LEU 239 CO 0.05 1.03 0.14 0.11 0.09 0.00 0.00 178.44 179.86 1ny1 h LYS 240 N 0.61 0.72 -0.62 1.13 1.57 -0.71 -1.74 116.57 117.53 1ny1 h LYS 240 Ca 0.06 -0.16 0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1ny1 h LYS 240 Cb 0.87 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 1ny1 h LYS 240 CO 0.08 0.69 0.41 -0.22 -0.57 0.00 0.00 179.45 179.84 1ny1 h LYS 241 N 0.61 0.70 0.00 3.15 3.64 -1.22 0.20 116.57 123.66 1ny1 h LYS 241 Ca 0.15 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1ny1 h LYS 241 Cb 0.27 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1ny1 h LYS 241 CO -0.00 0.46 0.00 1.96 -2.27 0.00 0.00 179.45 179.60 1ny1 h GLN 242 N 0.72 0.00 0.00 1.90 4.20 -0.90 -3.46 115.11 117.57 1ny1 h GLN 242 Ca 0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.96 1ny1 h GLN 242 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1ny1 h GLN 242 CO -0.07 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.50 1ny1 n GLY 243 N -0.20 1.38 3.83 3.46 0.00 0.06 -5.11 105.19 108.62 1ny1 n GLY 243 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1ny1 n GLY 243 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ny1 s TYR 244 N -2.00 3.52 -0.03 1.61 2.02 -0.70 -4.79 117.35 116.99 1ny1 s TYR 244 Ca 0.00 1.26 0.07 0.00 -0.37 0.00 0.00 57.07 58.04 1ny1 s TYR 244 Cb 0.00 -2.54 -0.02 0.00 -0.40 0.00 0.00 41.96 39.00 1ny1 s TYR 244 CO 0.00 0.25 -0.25 0.99 -1.57 0.00 0.00 175.55 174.96 1ny1 s THR 245 N -1.71 2.10 -0.24 -0.71 2.01 -0.12 -4.26 115.64 112.70 1ny1 s THR 245 Ca 0.47 -1.08 -0.09 0.00 0.31 0.00 0.00 61.69 61.30 1ny1 s THR 245 Cb -0.14 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.60 1ny1 s THR 245 CO 0.19 0.58 0.12 -0.36 -0.69 0.00 0.00 174.62 174.46 1ny1 s PHE 246 N -0.50 3.22 0.34 4.92 0.08 -1.26 -0.97 117.98 123.82 1ny1 s PHE 246 Ca 0.07 0.01 0.07 0.00 0.12 0.00 0.00 56.93 57.19 1ny1 s PHE 246 Cb -0.11 -2.24 -0.07 0.00 -0.57 0.00 0.00 43.02 40.03 1ny1 s PHE 246 CO 0.00 -0.07 -0.02 0.15 -0.10 0.00 0.00 175.22 175.18 1ny1 s LYS 247 N 1.18 1.76 0.50 0.44 1.02 -0.41 -4.78 119.74 119.46 1ny1 s LYS 247 Ca 0.06 -1.95 0.04 0.00 0.02 0.00 0.00 55.97 54.14 1ny1 s LYS 247 Cb -0.14 -1.38 0.03 0.00 -0.52 0.00 0.00 37.83 35.82 1ny1 s LYS 247 CO 0.05 -0.01 0.70 -1.54 -0.92 0.00 0.00 175.35 173.63 1ny1 s SER 248 N -3.57 5.40 0.27 2.83 1.04 -1.26 -4.01 113.70 114.40 1ny1 s SER 248 Ca 0.33 -0.21 -0.02 0.00 0.48 0.00 0.00 55.95 56.53 1ny1 s SER 248 Cb 0.06 -0.73 0.36 0.00 0.10 0.00 0.00 66.02 65.81 1ny1 s SER 248 CO 0.16 -1.01 1.79 0.40 0.98 0.00 0.00 173.24 175.55 1ny1 h ILE 249 N 0.29 1.23 -0.74 -1.02 1.08 -1.89 -0.14 117.51 116.33 1ny1 h ILE 249 Ca -0.41 -0.92 -0.03 0.00 -0.39 0.00 0.00 64.86 63.11 1ny1 h ILE 249 Cb 1.29 0.78 -0.03 0.00 -3.07 0.00 0.00 36.82 35.79 1ny1 h ILE 249 CO 0.49 0.33 0.33 0.44 -0.69 0.00 0.00 178.15 179.05 1ny1 h ASP 250 N 0.77 0.99 -0.60 1.72 3.32 -1.99 -2.28 116.42 118.35 1ny1 h ASP 250 Ca 0.16 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 1ny1 h ASP 250 Cb 0.38 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1ny1 h ASP 250 CO 0.01 0.87 0.25 0.44 -1.72 0.00 0.00 179.24 179.09 1ny1 h ASP 251 N 1.05 0.82 0.00 6.45 3.32 -1.74 -0.05 116.42 126.28 1ny1 h ASP 251 Ca 0.25 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1ny1 h ASP 251 Cb 0.15 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1ny1 h ASP 251 CO -0.03 0.76 0.00 -0.11 -1.72 0.00 0.00 179.24 178.14 1ny1 n LEU 252 N -4.47 0.00 0.00 1.55 0.00 -0.14 -0.90 117.00 113.04 1ny1 n LEU 252 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.05 1ny1 n LEU 252 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.58 1ny1 n LEU 252 CO 0.39 0.00 0.00 0.33 0.00 0.00 0.00 177.39 178.11 1ny1 n PHE 254 N 0.15 0.00 0.24 1.96 7.35 -0.03 -1.88 117.46 125.25 1ny1 n PHE 254 Ca 0.00 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.77 1ny1 n PHE 254 Cb 0.00 0.00 0.60 0.00 0.35 0.00 0.00 39.48 40.43 1ny1 n PHE 254 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1ny1 h GLU 255 N 0.00 0.00 0.00 -4.13 5.08 -1.27 -1.37 114.58 112.89 1ny1 h GLU 255 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1ny1 h GLU 255 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1ny1 h GLU 255 CO 0.00 0.14 -0.28 -0.22 -1.00 0.00 0.00 179.01 177.65 1ny1 h LYS 256 N 0.00 0.00 0.00 2.33 3.64 -1.59 -3.53 116.57 117.42 1ny1 h LYS 256 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ny1 h LYS 256 Cb 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1ny1 h LYS 256 CO 0.02 0.28 0.00 0.39 -2.27 0.00 0.00 179.45 177.87