#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nyn h SER 2 N 0.00 0.60 -3.87 7.83 0.87 -2.09 -3.45 113.55 113.44 1nyn h SER 2 Ca 0.00 -0.40 -0.20 0.00 -1.23 0.00 0.00 61.79 59.96 1nyn h SER 2 Cb 0.00 -0.18 -0.26 0.00 -0.44 0.00 0.00 62.40 61.52 1nyn h SER 2 CO 0.00 1.16 -0.60 0.28 -0.53 0.00 0.00 176.83 177.14 1nyn s THR 3 N -3.61 0.01 0.98 2.23 -1.32 -1.26 -5.16 115.64 107.51 1nyn s THR 3 Ca -0.07 -0.07 -0.16 0.00 -1.21 0.00 0.00 61.69 60.18 1nyn s THR 3 Cb 0.10 -0.17 0.25 0.00 -1.51 0.00 0.00 72.50 71.17 1nyn s THR 3 CO 0.86 -0.04 0.78 1.33 -2.21 0.00 0.00 174.62 175.34 1nyn n VAL 4 N 2.90 0.00 -4.80 5.08 0.24 -1.26 -5.03 118.33 115.46 1nyn n VAL 4 Ca -0.13 -0.26 -0.32 0.00 -2.04 0.00 0.00 64.34 61.58 1nyn n VAL 4 Cb 0.59 -1.05 -0.13 0.00 -1.47 0.00 0.00 33.84 31.78 1nyn n VAL 4 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1nyn s THR 5 N -2.31 3.12 -0.09 3.34 2.01 -1.25 -5.02 115.64 115.44 1nyn s THR 5 Ca 0.53 -0.79 -0.00 0.00 0.31 0.00 0.00 61.69 61.74 1nyn s THR 5 Cb -0.06 -2.25 -0.03 0.00 0.01 0.00 0.00 72.50 70.17 1nyn s THR 5 CO 0.41 0.53 -0.07 -0.54 -0.69 0.00 0.00 174.62 174.27 1nyn s LYS 6 N -0.92 3.00 -0.38 4.92 1.02 -1.26 -1.28 119.74 124.85 1nyn s LYS 6 Ca 0.13 -0.56 -0.12 0.00 0.02 0.00 0.00 55.97 55.44 1nyn s LYS 6 Cb -0.11 -2.66 0.02 0.00 -0.52 0.00 0.00 37.83 34.57 1nyn s LYS 6 CO 0.02 0.53 0.22 0.71 -0.92 0.00 0.00 175.35 175.91 1nyn s TYR 7 N -0.44 3.24 0.64 3.18 1.51 -0.72 -4.90 117.35 119.86 1nyn s TYR 7 Ca 0.06 -0.88 -0.10 0.00 -1.01 0.00 0.00 57.07 55.15 1nyn s TYR 7 Cb -0.12 -2.46 -0.01 0.00 -0.11 0.00 0.00 41.96 39.26 1nyn s TYR 7 CO 0.02 -0.63 1.03 -0.06 -1.11 0.00 0.00 175.55 174.80 1nyn s PHE 8 N 1.58 3.44 -0.27 2.71 0.40 -1.26 -2.73 117.98 121.85 1nyn s PHE 8 Ca 0.03 1.07 -0.23 0.00 -0.60 0.00 0.00 56.93 57.19 1nyn s PHE 8 Cb -0.19 -2.84 0.08 0.00 0.51 0.00 0.00 43.02 40.58 1nyn s PHE 8 CO 0.07 -0.89 0.76 -0.47 0.70 0.00 0.00 175.22 175.39 1nyn s TYR 9 N -3.20 -0.80 -0.42 0.36 5.04 -0.97 -1.47 117.35 115.89 1nyn s TYR 9 Ca 0.56 1.86 -0.14 0.00 -2.44 0.00 0.00 57.07 56.91 1nyn s TYR 9 Cb -0.11 0.36 0.04 0.00 0.35 0.00 0.00 41.96 42.60 1nyn s TYR 9 CO 0.51 -0.39 0.30 0.21 -1.34 0.00 0.00 175.55 174.84 1nyn s LYS 10 N 0.64 2.90 0.00 4.97 2.20 -1.26 -1.75 119.74 127.44 1nyn s LYS 10 Ca -0.02 -1.17 0.00 0.00 -0.36 0.00 0.00 55.97 54.42 1nyn s LYS 10 Cb -0.05 -3.94 0.00 0.00 -1.51 0.00 0.00 37.83 32.33 1nyn s LYS 10 CO -0.05 -0.83 0.00 0.41 -0.36 0.00 0.00 175.35 174.52 1nyn n GLY 11 N 5.11 -2.33 0.35 5.54 0.00 -0.30 -4.83 105.19 108.72 1nyn n GLY 11 Ca -0.11 -1.22 -0.04 0.00 0.00 0.00 0.00 46.02 44.65 1nyn n GLY 11 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1nyn h GLU 12 N 0.00 1.20 0.00 1.61 4.22 -1.95 -3.41 114.58 116.25 1nyn h GLU 12 Ca 0.00 -0.16 0.00 0.00 0.08 0.00 0.00 59.36 59.28 1nyn h GLU 12 Cb 0.00 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.03 1nyn h GLU 12 CO 0.00 0.91 0.00 0.27 -2.18 0.00 0.00 179.01 178.01 1nyn n ASN 13 N -4.32 0.00 -4.92 1.04 0.23 -1.26 -5.11 115.26 100.92 1nyn n ASN 13 Ca 0.09 0.00 -0.27 0.00 -0.53 0.00 0.00 54.58 53.87 1nyn n ASN 13 Cb 0.12 0.00 0.07 0.00 -2.08 0.00 0.00 39.78 37.89 1nyn n ASN 13 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1nyn s THR 14 N -1.00 2.41 -0.07 5.53 -1.32 -1.26 -5.08 115.64 114.85 1nyn s THR 14 Ca 0.00 -0.13 0.03 0.00 -1.21 0.00 0.00 61.69 60.38 1nyn s THR 14 Cb 0.00 -3.07 -0.02 0.00 -1.51 0.00 0.00 72.50 67.90 1nyn s THR 14 CO 0.00 -0.08 -0.16 -0.62 -2.21 0.00 0.00 174.62 171.54 1nyn s ASP 15 N -4.50 3.83 0.16 8.08 2.15 -1.26 -1.15 116.67 123.97 1nyn s ASP 15 Ca 0.60 -0.29 0.10 0.00 0.43 0.00 0.00 52.55 53.39 1nyn s ASP 15 Cb -0.11 -0.99 -0.04 0.00 -0.30 0.00 0.00 42.92 41.48 1nyn s ASP 15 CO 0.46 0.29 -0.21 -0.76 -0.17 0.00 0.00 175.17 174.78 1nyn s LEU 16 N -0.39 2.40 0.01 -1.34 1.43 -0.72 -4.41 118.68 115.67 1nyn s LEU 16 Ca 0.04 -0.82 0.04 0.00 -1.03 0.00 0.00 54.13 52.36 1nyn s LEU 16 Cb -0.12 -0.99 -0.01 0.00 0.03 0.00 0.00 46.19 45.10 1nyn s LEU 16 CO 0.02 0.05 -0.12 -0.63 0.23 0.00 0.00 176.35 175.91 1nyn s ILE 17 N -1.67 0.93 0.08 -0.59 1.01 -0.48 -2.29 121.20 118.18 1nyn s ILE 17 Ca 0.16 -0.72 0.04 0.00 0.00 0.00 0.00 60.65 60.12 1nyn s ILE 17 Cb -0.08 -0.82 -0.03 0.00 0.01 0.00 0.00 42.46 41.54 1nyn s ILE 17 CO 0.07 0.10 -0.11 0.68 0.00 0.00 0.00 174.94 175.68 1nyn s VAL 18 N -0.58 0.88 0.30 2.92 -7.23 -1.10 -1.94 120.40 113.65 1nyn s VAL 18 Ca 0.02 -1.41 -0.08 0.00 -1.81 0.00 0.00 61.98 58.70 1nyn s VAL 18 Cb -0.06 -1.09 -0.06 0.00 0.56 0.00 0.00 36.38 35.72 1nyn s VAL 18 CO 0.00 -0.43 0.61 -0.36 -0.31 0.00 0.00 175.10 174.62 1nyn s PHE 19 N -1.87 3.45 0.06 2.82 0.08 -1.26 -1.76 117.98 119.51 1nyn s PHE 19 Ca -0.00 0.84 0.01 0.00 0.12 0.00 0.00 56.93 57.89 1nyn s PHE 19 Cb -0.07 -2.25 -0.00 0.00 -0.57 0.00 0.00 43.02 40.13 1nyn s PHE 19 CO 0.01 0.13 0.04 0.00 -0.10 0.00 0.00 175.22 175.30 1nyn n ALA 20 N -0.74 0.11 -0.01 5.36 0.00 -0.40 -4.48 120.51 120.36 1nyn n ALA 20 Ca 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 53.44 53.11 1nyn n ALA 20 Cb 0.53 0.25 -0.00 0.00 0.00 0.00 0.00 19.45 20.23 1nyn n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nyn n ALA 21 N -2.64 1.35 -3.51 0.00 0.00 -1.06 -4.14 120.51 110.51 1nyn n ALA 21 Ca -0.02 -0.20 -0.12 0.00 0.00 0.00 0.00 53.44 53.10 1nyn n ALA 21 Cb 0.10 0.02 -0.10 0.00 0.00 0.00 0.00 19.45 19.48 1nyn n ALA 21 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1nyn s SER 22 N -4.68 -0.55 0.57 0.00 0.15 -1.26 -3.78 113.70 104.14 1nyn s SER 22 Ca -0.03 1.01 0.46 0.00 0.70 0.00 0.00 55.95 58.08 1nyn s SER 22 Cb 0.00 0.96 1.57 0.00 -1.71 0.00 0.00 66.02 66.85 1nyn s SER 22 CO 0.04 -0.18 1.51 -0.08 1.20 0.00 0.00 173.24 175.73 1nyn h GLU 23 N 6.10 0.00 0.00 5.44 4.81 -1.98 -1.46 114.58 127.49 1nyn h GLU 23 Ca -0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1nyn h GLU 23 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1nyn h GLU 23 CO 0.23 0.00 0.00 -1.91 -0.73 0.00 0.00 179.01 176.60 1nyn n GLU 24 N -3.78 0.00 -0.42 1.92 2.13 -1.26 -0.66 120.64 118.57 1nyn n GLU 24 Ca 0.40 0.16 0.34 0.00 0.66 0.00 0.00 57.16 58.72 1nyn n GLU 24 Cb 1.93 -1.10 0.63 0.00 0.27 0.00 0.00 31.44 33.17 1nyn n GLU 24 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1nyn h LEU 25 N 0.00 0.27 0.67 4.31 3.38 -1.71 0.14 115.31 122.37 1nyn h LEU 25 Ca 0.00 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1nyn h LEU 25 Cb 0.00 0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.84 1nyn h LEU 25 CO 0.00 -0.10 -0.32 0.58 0.09 0.00 0.00 178.44 178.69 1nyn h VAL 26 N 0.16 0.29 -0.30 1.22 2.07 -1.21 -2.15 116.25 116.32 1nyn h VAL 26 Ca 0.75 -0.14 0.07 0.00 0.82 0.00 0.00 66.70 68.20 1nyn h VAL 26 Cb 2.33 0.34 -0.07 0.00 -1.52 0.00 0.00 31.29 32.36 1nyn h VAL 26 CO -0.35 0.02 -0.20 -0.78 0.02 0.00 0.00 177.57 176.27 1nyn h ASP 27 N -1.00 -0.67 -0.96 0.57 1.82 0.16 0.79 116.42 117.13 1nyn h ASP 27 Ca -0.09 0.14 0.23 0.00 -0.39 0.00 0.00 57.03 56.92 1nyn h ASP 27 Cb 0.71 0.34 -0.12 0.00 0.68 0.00 0.00 39.33 40.94 1nyn h ASP 27 CO 0.15 -0.24 0.52 -0.33 -1.61 0.00 0.00 179.24 177.73 1nyn h GLU 28 N -0.18 0.51 0.70 0.28 4.39 -1.27 0.24 114.58 119.26 1nyn h GLU 28 Ca 0.16 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.79 1nyn h GLU 28 Cb 0.42 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1nyn h GLU 28 CO -0.41 0.34 -0.34 -0.92 -1.16 0.00 0.00 179.01 176.52 1nyn h TYR 29 N 0.52 -0.88 -0.50 4.33 3.20 -0.20 -2.50 116.97 120.94 1nyn h TYR 29 Ca 0.61 -0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.60 1nyn h TYR 29 Cb 1.14 0.29 -0.02 0.00 1.54 0.00 0.00 36.73 39.68 1nyn h TYR 29 CO -0.05 -0.53 0.43 -0.07 -1.64 0.00 0.00 178.16 176.30 1nyn h LEU 30 N -1.21 0.00 -1.06 2.82 3.38 -0.34 0.63 115.31 119.54 1nyn h LEU 30 Ca -0.10 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1nyn h LEU 30 Cb 0.74 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1nyn h LEU 30 CO 0.16 0.00 -0.22 0.11 0.09 0.00 0.00 178.44 178.58 1nyn h LYS 31 N 0.00 0.00 -0.75 1.13 1.79 -0.23 -3.39 116.57 115.13 1nyn h LYS 31 Ca 0.24 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.54 1nyn h LYS 31 Cb 1.10 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.59 1nyn h LYS 31 CO -0.00 0.22 -0.49 0.09 -1.08 0.00 0.00 179.45 178.19 1nyn n ASN 32 N -3.36 -3.32 -4.67 0.86 5.03 0.21 -5.08 115.26 104.93 1nyn n ASN 32 Ca 0.00 -3.01 -0.52 0.00 0.87 0.00 0.00 54.58 51.92 1nyn n ASN 32 Cb 0.44 1.77 -0.06 0.00 -1.02 0.00 0.00 39.78 40.91 1nyn n ASN 32 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 1nyn n PRO 33 N 2.62 1.62 -3.67 3.52 -0.02 -0.34 -4.78 135.00 133.95 1nyn n PRO 33 Ca 0.16 0.58 -0.13 0.00 -2.02 0.00 0.00 63.50 62.09 1nyn n PRO 33 Cb 0.58 -2.41 -0.08 0.00 -0.02 0.00 0.00 33.50 31.57 1nyn n PRO 33 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1nyn s SER 34 N 4.31 -0.63 0.72 2.55 1.04 -1.26 -5.11 113.70 115.31 1nyn s SER 34 Ca 0.97 1.21 -0.15 0.00 0.48 0.00 0.00 55.95 58.45 1nyn s SER 34 Cb -0.87 1.21 0.03 0.00 0.10 0.00 0.00 66.02 66.49 1nyn s SER 34 CO 0.57 -0.21 1.22 -0.51 0.98 0.00 0.00 173.24 175.30 1nyn s ILE 35 N 0.42 2.25 0.00 -1.02 1.10 -1.26 -4.00 121.20 118.70 1nyn s ILE 35 Ca -0.01 0.13 0.00 0.00 -0.51 0.00 0.00 60.65 60.26 1nyn s ILE 35 Cb -0.04 -2.76 0.00 0.00 0.15 0.00 0.00 42.46 39.80 1nyn s ILE 35 CO -0.01 -0.06 0.00 0.61 -2.11 0.00 0.00 174.94 173.37 1nyn n GLY 36 N 0.49 2.23 0.23 1.50 0.00 -1.26 -4.70 105.19 103.68 1nyn n GLY 36 Ca 0.14 -0.66 0.10 0.00 0.00 0.00 0.00 46.02 45.60 1nyn n GLY 36 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1nyn h LYS 37 N 0.00 0.00 -0.25 1.61 3.64 -2.01 -0.86 116.57 118.70 1nyn h LYS 37 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1nyn h LYS 37 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1nyn h LYS 37 CO 0.00 0.00 0.17 1.25 -2.27 0.00 0.00 179.45 178.60 1nyn h LEU 38 N 0.00 0.29 -2.13 5.20 5.85 -1.84 -0.84 115.31 121.83 1nyn h LEU 38 Ca 0.00 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.76 1nyn h LEU 38 Cb 0.55 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1nyn h LEU 38 CO 0.00 0.22 0.16 0.28 -0.34 0.00 0.00 178.44 178.76 1nyn h SER 39 N 0.34 0.00 0.65 1.25 0.02 -1.41 0.55 113.55 114.96 1nyn h SER 39 Ca 0.09 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.80 1nyn h SER 39 Cb -0.03 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 1nyn h SER 39 CO -0.02 0.00 -1.10 -0.33 -1.14 0.00 0.00 176.83 174.24 1nyn h GLU 40 N 0.00 0.23 0.14 3.45 5.08 -1.31 -3.37 114.58 118.80 1nyn h GLU 40 Ca 0.09 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 1nyn h GLU 40 Cb 0.41 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1nyn h GLU 40 CO -0.00 1.12 -0.07 0.28 -1.00 0.00 0.00 179.01 179.34 1nyn h VAL 41 N 0.08 0.00 -3.57 3.13 2.07 0.14 -3.45 116.25 114.66 1nyn h VAL 41 Ca -0.09 -0.74 -0.52 0.00 0.82 0.00 0.00 66.70 66.17 1nyn h VAL 41 Cb 1.81 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1nyn h VAL 41 CO 0.17 0.00 0.37 -0.69 0.02 0.00 0.00 177.57 177.44 1nyn s VAL 42 N -2.15 4.43 -0.23 2.57 1.01 -0.00 -2.56 120.40 123.47 1nyn s VAL 42 Ca -0.03 2.04 -0.16 0.00 0.00 0.00 0.00 61.98 63.83 1nyn s VAL 42 Cb 0.00 -4.30 -0.12 0.00 0.00 0.00 0.00 36.38 31.96 1nyn s VAL 42 CO 0.08 0.32 -0.18 -0.62 0.00 0.00 0.00 175.10 174.71 1nyn n GLU 43 N 2.70 0.56 -4.09 2.72 1.02 -1.26 -4.62 120.64 117.67 1nyn n GLU 43 Ca 0.02 0.37 -0.35 0.00 -0.02 0.00 0.00 57.16 57.18 1nyn n GLU 43 Cb 0.49 -1.57 -0.09 0.00 -0.02 0.00 0.00 31.44 30.25 1nyn n GLU 43 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1nyn s LEU 44 N -7.73 3.86 -1.20 -4.62 1.02 -1.26 -5.01 118.68 103.74 1nyn s LEU 44 Ca -0.33 0.18 -0.04 0.00 0.02 0.00 0.00 54.13 53.96 1nyn s LEU 44 Cb 0.10 -1.94 0.19 0.00 0.02 0.00 0.00 46.19 44.56 1nyn s LEU 44 CO 0.49 0.28 2.18 0.49 0.02 0.00 0.00 176.35 179.81 1nyn n PHE 45 N 2.80 2.65 -3.70 0.29 3.72 -1.26 -4.80 117.46 117.16 1nyn n PHE 45 Ca -0.18 -2.71 -0.18 0.00 -0.05 0.00 0.00 57.45 54.33 1nyn n PHE 45 Cb 0.53 -1.59 -0.17 0.00 -0.94 0.00 0.00 39.48 37.31 1nyn n PHE 45 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1nyn s GLU 46 N -2.37 -0.05 0.21 -1.08 2.12 -1.26 -5.07 118.70 111.20 1nyn s GLU 46 Ca 0.49 0.35 -0.29 0.00 0.36 0.00 0.00 54.97 55.87 1nyn s GLU 46 Cb 0.19 -0.39 -0.08 0.00 0.26 0.00 0.00 34.13 34.11 1nyn s GLU 46 CO -0.11 -0.27 0.92 0.08 -0.54 0.00 0.00 175.26 175.34 1nyn s VAL 47 N 1.82 4.18 0.47 3.70 1.01 -1.26 -4.80 120.40 125.51 1nyn s VAL 47 Ca -0.00 2.04 0.04 0.00 0.00 0.00 0.00 61.98 64.06 1nyn s VAL 47 Cb -0.12 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 1nyn s VAL 47 CO -0.03 0.47 0.09 -0.36 0.00 0.00 0.00 175.10 175.26 1nyn s PHE 48 N -0.97 2.13 -0.08 5.22 0.08 -0.82 -2.31 117.98 121.23 1nyn s PHE 48 Ca 0.41 -0.80 -0.30 0.00 0.12 0.00 0.00 56.93 56.36 1nyn s PHE 48 Cb -0.25 -1.75 0.11 0.00 -0.57 0.00 0.00 43.02 40.56 1nyn s PHE 48 CO 0.31 0.19 0.95 -0.08 -0.10 0.00 0.00 175.22 176.49 1nyn s THR 49 N -2.77 0.00 -1.18 0.64 -1.32 -0.99 -1.38 115.64 108.64 1nyn s THR 49 Ca 0.23 0.00 -0.23 0.00 -1.21 0.00 0.00 61.69 60.48 1nyn s THR 49 Cb 0.04 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.93 1nyn s THR 49 CO 0.12 0.00 1.94 -2.16 -2.21 0.00 0.00 174.62 172.32 1nyn s PRO 50 N -2.20 2.45 0.00 7.08 0.04 -1.25 0.39 135.00 141.50 1nyn s PRO 50 Ca 0.02 -1.13 0.00 0.00 0.04 0.00 0.00 61.00 59.93 1nyn s PRO 50 Cb -0.01 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.30 1nyn s PRO 50 CO -0.04 -4.04 0.00 0.94 0.04 0.00 0.00 177.00 173.90 1nyn n GLN 51 N 8.28 2.51 0.00 4.56 7.27 -1.25 -4.77 117.38 133.99 1nyn n GLN 51 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.52 1nyn n GLN 51 Cb 0.47 -0.87 0.00 0.00 2.41 0.00 0.00 30.24 32.25 1nyn n GLN 51 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1nyn n ASP 52 N -1.69 0.00 -3.15 1.69 2.03 0.29 -4.88 116.55 110.84 1nyn n ASP 52 Ca 0.00 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.28 1nyn n ASP 52 Cb 0.37 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.75 1nyn n ASP 52 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1nyn s GLY 53 N 0.00 -1.03 -0.36 0.27 0.00 -1.18 -2.97 107.32 102.05 1nyn s GLY 53 Ca 0.00 -0.14 0.10 0.00 0.00 0.00 0.00 44.72 44.67 1nyn s GLY 53 CO 0.00 3.50 1.38 -0.96 0.00 0.00 0.00 173.10 177.02 1nyn n ARG 54 N 4.06 1.15 0.00 2.90 1.85 -1.26 -4.91 116.66 120.45 1nyn n ARG 54 Ca 0.13 -1.44 0.00 0.00 -1.00 0.00 0.00 57.85 55.54 1nyn n ARG 54 Cb 0.55 0.14 0.00 0.00 -1.05 0.00 0.00 32.46 32.10 1nyn n ARG 54 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1nyn n GLY 55 N -0.93 3.70 6.20 2.89 0.00 -1.26 -4.92 105.19 110.87 1nyn n GLY 55 Ca -0.10 -1.35 0.01 0.00 0.00 0.00 0.00 46.02 44.58 1nyn n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nyn n ALA 56 N -1.66 -0.12 0.21 4.61 0.00 -1.26 -3.09 120.51 119.19 1nyn n ALA 56 Ca 0.00 0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.51 1nyn n ALA 56 Cb 0.00 -0.04 0.31 0.00 0.00 0.00 0.00 19.45 19.72 1nyn n ALA 56 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1nyn h GLU 57 N 0.00 0.00 0.00 0.00 4.39 -2.03 -3.39 114.58 113.54 1nyn h GLU 57 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1nyn h GLU 57 Cb 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1nyn h GLU 57 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 1nyn n GLY 58 N -1.28 -0.98 2.79 -3.84 0.00 -1.19 -5.11 105.19 95.58 1nyn n GLY 58 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 1nyn n GLY 58 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nyn s GLU 59 N 0.00 0.93 0.02 1.61 2.02 -1.18 -4.39 118.70 117.71 1nyn s GLU 59 Ca 0.00 -0.55 -0.12 0.00 0.02 0.00 0.00 54.97 54.32 1nyn s GLU 59 Cb 0.00 -2.19 0.01 0.00 0.10 0.00 0.00 34.13 32.06 1nyn s GLU 59 CO 0.00 -0.61 0.25 -1.17 0.02 0.00 0.00 175.26 173.75 1nyn s LEU 60 N 1.74 1.11 0.00 1.80 0.20 -1.16 -3.90 118.68 118.47 1nyn s LEU 60 Ca -0.02 -0.18 0.00 0.00 0.69 0.00 0.00 54.13 54.62 1nyn s LEU 60 Cb -0.17 1.12 0.00 0.00 -0.43 0.00 0.00 46.19 46.71 1nyn s LEU 60 CO -0.07 -0.52 0.00 0.61 -0.29 0.00 0.00 176.35 176.07 1nyn n GLY 61 N 0.90 2.73 2.93 7.98 0.00 1.27 -0.55 105.19 120.45 1nyn n GLY 61 Ca -0.20 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 44.92 1nyn n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nyn s ALA 62 N -1.00 1.59 1.18 4.61 0.00 -1.26 -2.35 121.76 124.52 1nyn s ALA 62 Ca 0.00 -0.83 -0.17 0.00 0.00 0.00 0.00 51.96 50.95 1nyn s ALA 62 Cb 0.00 -1.08 0.21 0.00 0.00 0.00 0.00 23.12 22.24 1nyn s ALA 62 CO 0.00 -0.63 0.41 0.00 0.00 0.00 0.00 175.76 175.54 1nyn n ALA 63 N 4.85 -3.39 -2.61 0.00 0.00 -0.98 -4.86 120.51 113.52 1nyn n ALA 63 Ca -0.13 -1.35 -0.21 0.00 0.00 0.00 0.00 53.44 51.74 1nyn n ALA 63 Cb 0.48 -1.47 -0.13 0.00 0.00 0.00 0.00 19.45 18.33 1nyn n ALA 63 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1nyn s SER 64 N -2.18 2.06 0.58 0.00 0.01 -1.26 -4.98 113.70 107.93 1nyn s SER 64 Ca 0.56 -0.59 0.32 0.00 1.31 0.00 0.00 55.95 57.54 1nyn s SER 64 Cb -0.13 -0.11 1.34 0.00 0.21 0.00 0.00 66.02 67.33 1nyn s SER 64 CO 0.57 0.02 1.66 0.11 0.41 0.00 0.00 173.24 176.01 1nyn h LYS 65 N 4.43 0.00 -0.02 12.44 1.57 -1.98 0.33 116.57 133.35 1nyn h LYS 65 Ca -0.42 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.34 1nyn h LYS 65 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1nyn h LYS 65 CO 0.41 0.00 -0.06 0.00 -0.57 0.00 0.00 179.45 179.23 1nyn h ALA 66 N 1.11 0.03 0.03 3.86 0.00 -1.98 -2.15 119.26 120.15 1nyn h ALA 66 Ca 0.44 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1nyn h ALA 66 Cb 2.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.98 1nyn h ALA 66 CO -0.00 -0.11 -0.01 0.37 0.00 0.00 0.00 179.25 179.49 1nyn h GLN 67 N -0.52 -0.03 0.00 0.00 4.15 -0.78 -1.58 115.11 116.35 1nyn h GLN 67 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1nyn h GLN 67 Cb 0.69 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.39 1nyn h GLN 67 CO 0.01 0.09 -0.00 0.28 -1.93 0.00 0.00 178.83 177.28 1nyn h VAL 68 N -0.15 0.10 0.00 2.39 2.07 -1.33 0.46 116.25 119.79 1nyn h VAL 68 Ca -0.00 -0.01 -0.09 0.00 0.82 0.00 0.00 66.70 67.41 1nyn h VAL 68 Cb 0.14 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1nyn h VAL 68 CO 0.01 0.00 -0.45 -0.33 0.02 0.00 0.00 177.57 176.82 1nyn h GLU 69 N 0.00 0.00 0.00 1.57 5.08 -0.59 0.71 114.58 121.35 1nyn h GLU 69 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1nyn h GLU 69 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1nyn h GLU 69 CO 0.00 0.45 -0.21 -0.91 -1.00 0.00 0.00 179.01 177.33 1nyn h ASN 70 N 0.00 0.00 0.00 1.42 4.21 -0.60 -3.33 115.58 117.29 1nyn h ASN 70 Ca -0.00 0.00 -0.23 0.00 1.21 0.00 0.00 56.30 57.28 1nyn h ASN 70 Cb 1.19 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.35 1nyn h ASN 70 CO 0.06 0.21 -1.67 -0.62 -1.29 0.00 0.00 177.43 174.12 1nyn n GLU 71 N -3.17 0.55 -2.71 0.81 4.71 -1.15 -4.87 120.64 114.81 1nyn n GLU 71 Ca 0.03 0.29 -0.06 0.00 -0.01 0.00 0.00 57.16 57.41 1nyn n GLU 71 Cb 0.60 -1.51 0.06 0.00 -1.01 0.00 0.00 31.44 29.58 1nyn n GLU 71 CO 0.00 0.00 0.00 1.97 0.09 0.00 0.00 177.13 179.19 1nyn n PHE 72 N -4.38 -2.03 -3.77 -0.32 1.16 0.04 -5.01 117.46 103.15 1nyn n PHE 72 Ca -0.33 -1.25 -0.13 0.00 -1.87 0.00 0.00 57.45 53.87 1nyn n PHE 72 Cb 0.68 1.34 -0.12 0.00 -1.61 0.00 0.00 39.48 39.77 1nyn n PHE 72 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 1nyn s GLY 73 N -0.98 -0.20 0.00 4.97 0.00 -0.04 -4.77 107.32 106.30 1nyn s GLY 73 Ca 0.29 0.82 0.00 0.00 0.00 0.00 0.00 44.72 45.83 1nyn s GLY 73 CO -0.17 0.78 0.00 1.17 0.00 0.00 0.00 173.10 174.89 1nyn n LYS 74 N 3.19 0.00 0.00 2.90 4.81 -1.26 -4.43 118.16 123.37 1nyn n LYS 74 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.29 1nyn n LYS 74 Cb 0.57 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.62 1nyn n LYS 74 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nyn n GLY 75 N -0.25 0.00 3.98 3.14 0.00 -1.26 -5.17 105.19 105.63 1nyn n GLY 75 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1nyn n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nyn s LYS 76 N 0.00 2.33 0.04 1.61 1.02 -1.26 -5.08 119.74 118.40 1nyn s LYS 76 Ca 0.00 -1.74 -0.26 0.00 0.02 0.00 0.00 55.97 53.99 1nyn s LYS 76 Cb 0.00 -2.46 -0.05 0.00 -0.52 0.00 0.00 37.83 34.80 1nyn s LYS 76 CO 0.00 -0.71 0.80 0.15 -0.92 0.00 0.00 175.35 174.67 1nyn s LYS 77 N -4.49 4.52 0.50 1.68 1.02 -1.26 -4.90 119.74 116.82 1nyn s LYS 77 Ca 0.51 1.12 0.41 0.00 0.02 0.00 0.00 55.97 58.04 1nyn s LYS 77 Cb -0.05 -3.38 1.61 0.00 -0.52 0.00 0.00 37.83 35.50 1nyn s LYS 77 CO 0.32 0.23 1.59 0.97 -0.92 0.00 0.00 175.35 177.54 1nyn h ILE 78 N 4.21 0.03 0.20 2.17 6.09 -1.98 0.39 117.51 128.62 1nyn h ILE 78 Ca -0.43 -0.00 0.01 0.00 -1.37 0.00 0.00 64.86 63.07 1nyn h ILE 78 Cb 1.21 0.02 -0.03 0.00 0.47 0.00 0.00 36.82 38.48 1nyn h ILE 78 CO 0.72 0.00 -0.34 -0.33 -3.07 0.00 0.00 178.15 175.12 1nyn h GLU 79 N 0.01 -0.60 -0.09 2.19 5.08 -1.98 -1.98 114.58 117.21 1nyn h GLU 79 Ca 0.90 0.04 0.02 0.00 -1.00 0.00 0.00 59.36 59.32 1nyn h GLU 79 Cb 3.26 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 32.60 1nyn h GLU 79 CO -0.23 -0.40 -0.40 1.49 -1.00 0.00 0.00 179.01 178.47 1nyn h GLU 80 N -0.62 -0.42 -0.98 2.33 4.57 -0.60 -1.76 114.58 117.09 1nyn h GLU 80 Ca 0.01 0.03 0.11 0.00 -1.18 0.00 0.00 59.36 58.33 1nyn h GLU 80 Cb 0.62 0.10 -0.13 0.00 -0.16 0.00 0.00 28.75 29.17 1nyn h GLU 80 CO -0.15 -0.28 -0.53 0.28 -1.18 0.00 0.00 179.01 177.15 1nyn n VAL 81 N -4.68 -0.63 0.32 0.32 0.31 -1.10 0.37 118.33 113.24 1nyn n VAL 81 Ca -0.05 2.36 0.13 0.00 -0.01 0.00 0.00 64.34 66.77 1nyn n VAL 81 Cb 0.28 -2.97 0.64 0.00 -0.91 0.00 0.00 33.84 30.88 1nyn n VAL 81 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1nyn h ILE 82 N 0.00 0.02 0.01 2.52 2.04 -0.57 -2.39 117.51 119.14 1nyn h ILE 82 Ca 0.21 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.07 1nyn h ILE 82 Cb 0.45 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1nyn h ILE 82 CO -0.94 0.00 -0.01 -0.78 0.00 0.00 0.00 178.15 176.43 1nyn h ASP 83 N 0.00 -0.02 -1.20 1.72 1.82 0.74 -2.87 116.42 116.61 1nyn h ASP 83 Ca 0.02 0.00 0.35 0.00 -0.39 0.00 0.00 57.03 57.00 1nyn h ASP 83 Cb 1.00 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.97 1nyn h ASP 83 CO -0.00 0.02 1.19 0.18 -1.61 0.00 0.00 179.24 179.02 1nyn n LEU 84 N -2.24 0.00 0.00 2.28 4.77 -0.92 -1.03 117.00 119.86 1nyn n LEU 84 Ca -0.00 0.76 0.00 0.00 -0.03 0.00 0.00 56.01 56.74 1nyn n LEU 84 Cb 0.01 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1nyn n LEU 84 CO 0.01 -0.76 0.13 -0.38 -1.33 0.00 0.00 177.39 175.05 1nyn n ILE 85 N -3.28 0.00 -0.38 -0.08 5.41 -1.08 -3.65 119.36 116.31 1nyn n ILE 85 Ca 0.27 0.72 0.32 0.00 1.00 0.00 0.00 62.75 65.06 1nyn n ILE 85 Cb 1.55 -1.66 0.59 0.00 -0.71 0.00 0.00 39.64 39.41 1nyn n ILE 85 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1nyn h LEU 86 N 0.00 0.34 -1.44 1.39 3.38 -0.85 0.99 115.31 119.12 1nyn h LEU 86 Ca 0.00 0.19 0.29 0.00 0.09 0.00 0.00 57.88 58.45 1nyn h LEU 86 Cb 0.00 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1nyn h LEU 86 CO 0.00 -0.25 1.03 -0.09 0.09 0.00 0.00 178.44 179.22 1nyn h ARG 87 N 0.12 0.00 0.00 1.13 2.43 -1.35 -3.10 114.38 113.61 1nyn h ARG 87 Ca 0.81 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.98 1nyn h ARG 87 Cb 2.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.79 1nyn h ARG 87 CO -0.58 0.00 0.00 -1.71 -1.51 0.00 0.00 179.97 176.17 1nyn n ASN 88 N -3.49 0.00 -1.18 -3.80 2.85 0.34 -5.12 115.26 104.87 1nyn n ASN 88 Ca 0.22 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.69 1nyn n ASN 88 Cb 1.34 -0.28 0.00 0.00 1.24 0.00 0.00 39.78 42.08 1nyn n ASN 88 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1nyn n GLY 89 N 2.35 -4.43 2.37 8.20 0.00 -1.12 -4.98 105.19 107.59 1nyn n GLY 89 Ca 0.00 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 45.20 1nyn n GLY 89 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nyn n LYS 90 N 0.64 1.00 0.00 1.61 5.02 -0.54 -5.00 118.16 120.89 1nyn n LYS 90 Ca 0.00 -3.60 0.00 0.00 -2.02 0.00 0.00 58.31 52.69 1nyn n LYS 90 Cb 0.00 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.36 1nyn n LYS 90 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1nyn n PRO 91 N 1.80 3.18 -3.95 1.97 -0.02 -1.26 -4.16 135.00 132.55 1nyn n PRO 91 Ca 0.25 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.64 1nyn n PRO 91 Cb 0.47 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.86 1nyn n PRO 91 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1nyn s ASN 92 N -2.47 0.22 1.36 2.55 0.01 -1.26 -4.87 114.94 110.48 1nyn s ASN 92 Ca 0.00 -0.57 -0.22 0.00 -0.71 0.00 0.00 52.86 51.37 1nyn s ASN 92 Cb 0.00 0.20 0.33 0.00 0.41 0.00 0.00 41.25 42.19 1nyn s ASN 92 CO 0.00 -0.48 0.92 -0.24 -1.51 0.00 0.00 177.10 175.79 1nyn n SER 93 N 0.85 -3.14 -4.30 -1.22 2.88 -1.26 -4.94 113.62 102.50 1nyn n SER 93 Ca -0.19 -0.97 -0.45 0.00 -1.33 0.00 0.00 58.87 55.92 1nyn n SER 93 Cb 0.58 -0.95 -0.05 0.00 -0.75 0.00 0.00 64.21 63.05 1nyn n SER 93 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1nyn s THR 94 N -2.43 5.16 -0.57 2.46 -4.23 -1.26 -4.95 115.64 109.83 1nyn s THR 94 Ca 0.65 -1.94 0.06 0.00 -1.18 0.00 0.00 61.69 59.28 1nyn s THR 94 Cb -0.09 -4.28 0.22 0.00 1.34 0.00 0.00 72.50 69.69 1nyn s THR 94 CO 0.52 -0.91 0.57 0.41 -0.54 0.00 0.00 174.62 174.67 1nyn n THR 95 N 4.68 0.95 -0.27 3.99 -1.04 -1.26 -4.98 114.28 116.35 1nyn n THR 95 Ca -0.03 -4.59 -0.08 0.00 -2.04 0.00 0.00 64.05 57.32 1nyn n THR 95 Cb 0.42 -2.02 -0.01 0.00 -1.82 0.00 0.00 70.33 66.90 1nyn n THR 95 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1nyn n SER 96 N 1.57 1.78 -3.07 8.00 3.41 -1.26 -4.51 113.62 119.53 1nyn n SER 96 Ca 0.25 -2.09 -0.35 0.00 -0.26 0.00 0.00 58.87 56.43 1nyn n SER 96 Cb 0.43 -0.69 0.01 0.00 -0.26 0.00 0.00 64.21 63.70 1nyn n SER 96 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1nyn n SER 97 N 4.57 6.20 -4.18 4.04 7.64 -1.26 -4.98 113.62 125.65 1nyn n SER 97 Ca 0.16 -3.73 -0.32 0.00 1.01 0.00 0.00 58.87 55.99 1nyn n SER 97 Cb 0.06 -0.86 -0.17 0.00 -1.01 0.00 0.00 64.21 62.23 1nyn n SER 97 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1nyn s LEU 98 N -3.91 2.09 -0.20 -3.43 1.02 -1.26 -5.09 118.68 107.89 1nyn s LEU 98 Ca 0.46 -0.59 -0.05 0.00 0.02 0.00 0.00 54.13 53.98 1nyn s LEU 98 Cb 0.31 -1.42 0.10 0.00 0.02 0.00 0.00 46.19 45.20 1nyn s LEU 98 CO -0.21 0.10 0.35 -0.75 0.02 0.00 0.00 176.35 175.85 1nyn s LYS 99 N 0.69 0.28 0.13 1.70 2.36 -1.26 -5.15 119.74 118.48 1nyn s LYS 99 Ca -0.10 0.70 0.05 0.00 -2.55 0.00 0.00 55.97 54.07 1nyn s LYS 99 Cb -0.16 -0.21 -0.04 0.00 -1.05 0.00 0.00 37.83 36.37 1nyn s LYS 99 CO 0.01 -0.44 -0.12 0.95 1.55 0.00 0.00 175.35 177.30 1nyn s THR 100 N 2.51 1.20 0.58 3.43 -4.23 -1.26 -5.12 115.64 112.75 1nyn s THR 100 Ca 0.05 -1.83 -0.19 0.00 -1.18 0.00 0.00 61.69 58.55 1nyn s THR 100 Cb -0.14 -1.61 -0.07 0.00 1.34 0.00 0.00 72.50 72.03 1nyn s THR 100 CO -0.13 -0.56 0.81 0.29 -0.54 0.00 0.00 174.62 174.49 1nyn n LYS 101 N 0.27 0.78 0.00 3.99 5.02 -1.26 -4.99 118.16 121.98 1nyn n LYS 101 Ca -0.14 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1nyn n LYS 101 Cb 0.58 -1.99 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 1nyn n LYS 101 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nyn n GLY 102 N 1.46 1.51 2.22 0.72 0.00 -1.26 -5.01 105.19 104.83 1nyn n GLY 102 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1nyn n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nyn n GLY 103 N 4.06 -3.69 2.98 -0.02 0.00 -1.26 -4.94 105.19 102.32 1nyn n GLY 103 Ca 0.00 0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1nyn n GLY 103 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nyn s ASN 104 N -0.38 4.63 0.00 1.61 3.84 -1.26 -5.08 114.94 118.30 1nyn s ASN 104 Ca 0.00 -2.22 0.00 0.00 0.21 0.00 0.00 52.86 50.85 1nyn s ASN 104 Cb 0.00 -1.55 0.00 0.00 -0.55 0.00 0.00 41.25 39.15 1nyn s ASN 104 CO 0.00 -0.36 0.00 0.00 -2.79 0.00 0.00 177.10 173.95 1nyn n ALA 105 N 4.16 0.00 0.00 1.71 0.00 -1.26 -5.06 120.51 120.06 1nyn n ALA 105 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1nyn n ALA 105 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 1nyn n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nyn n GLY 106 N 2.16 0.00 3.64 0.00 0.00 -1.26 -5.15 105.19 104.58 1nyn n GLY 106 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1nyn n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nyn s THR 107 N 0.00 0.00 -0.84 2.61 -1.32 -1.26 -5.00 115.64 109.83 1nyn s THR 107 Ca 0.00 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.45 1nyn s THR 107 Cb 0.00 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.98 1nyn s THR 107 CO 0.00 0.00 0.71 0.29 -2.21 0.00 0.00 174.62 173.41 1nyn n LYS 108 N 3.51 -1.44 -3.81 7.08 5.02 -1.26 -5.01 118.16 122.25 1nyn n LYS 108 Ca -0.17 1.13 -0.20 0.00 -2.02 0.00 0.00 58.31 57.04 1nyn n LYS 108 Cb 0.57 -4.69 -0.05 0.00 -0.02 0.00 0.00 35.03 30.84 1nyn n LYS 108 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nyn n ALA 109 N -2.42 0.40 -1.41 7.82 0.00 -1.26 -4.74 120.51 118.89 1nyn n ALA 109 Ca -0.10 -1.55 -0.15 0.00 0.00 0.00 0.00 53.44 51.64 1nyn n ALA 109 Cb 0.57 1.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.95 1nyn n ALA 109 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1nyn n TYR 110 N -0.73 -0.09 0.68 0.00 9.36 -1.26 -5.19 117.16 119.93 1nyn n TYR 110 Ca -0.07 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.23 1nyn n TYR 110 Cb 0.45 -2.93 0.07 0.00 -0.63 0.00 0.00 39.34 36.30 1nyn n TYR 110 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37