#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fny n GLY 2 N 0.00 -0.39 3.48 3.41 0.00 -1.09 -5.00 105.19 105.61 1fny n GLY 2 Ca 0.00 -1.65 -0.09 0.00 0.00 0.00 0.00 46.02 44.28 1fny n GLY 2 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fny s SER 3 N -1.92 -0.10 -0.24 1.61 1.04 -1.26 -0.24 113.70 112.58 1fny s SER 3 Ca 0.00 -0.77 -0.21 0.00 0.48 0.00 0.00 55.95 55.45 1fny s SER 3 Cb 0.00 0.53 0.06 0.00 0.10 0.00 0.00 66.02 66.72 1fny s SER 3 CO 0.00 -1.03 0.64 -0.22 0.98 0.00 0.00 173.24 173.61 1fny s LEU 4 N -2.95 -0.49 0.04 2.42 2.96 -1.08 -5.00 118.68 114.59 1fny s LEU 4 Ca 0.16 1.30 -0.19 0.00 -0.22 0.00 0.00 54.13 55.18 1fny s LEU 4 Cb 0.01 2.18 0.04 0.00 0.50 0.00 0.00 46.19 48.92 1fny s LEU 4 CO 0.02 -0.22 0.43 -0.94 -1.32 0.00 0.00 176.35 174.32 1fny s SER 5 N 0.52 -0.31 0.15 3.68 1.04 -1.26 -0.14 113.70 117.38 1fny s SER 5 Ca -0.01 0.03 -0.25 0.00 0.48 0.00 0.00 55.95 56.20 1fny s SER 5 Cb -0.05 0.43 0.06 0.00 0.10 0.00 0.00 66.02 66.57 1fny s SER 5 CO -0.02 -0.67 0.89 0.72 0.98 0.00 0.00 173.24 175.14 1fny s PHE 6 N -2.44 -0.20 -0.18 5.02 -0.12 -0.19 -4.96 117.98 114.90 1fny s PHE 6 Ca -0.05 -0.10 -0.11 0.00 -0.05 0.00 0.00 56.93 56.62 1fny s PHE 6 Cb -0.01 0.63 0.06 0.00 -0.63 0.00 0.00 43.02 43.07 1fny s PHE 6 CO -0.02 -0.85 0.45 0.45 -0.05 0.00 0.00 175.22 175.20 1fny s SER 7 N -2.85 -0.57 -0.23 1.98 0.15 -1.26 -1.18 113.70 109.74 1fny s SER 7 Ca 0.10 0.98 -0.01 0.00 0.70 0.00 0.00 55.95 57.72 1fny s SER 7 Cb -0.02 0.87 0.07 0.00 -1.71 0.00 0.00 66.02 65.22 1fny s SER 7 CO 0.00 -0.20 -0.00 -0.36 1.20 0.00 0.00 173.24 173.89 1fny s PHE 8 N 1.33 1.83 0.38 3.44 0.08 0.42 -4.99 117.98 120.47 1fny s PHE 8 Ca -0.09 -1.44 0.19 0.00 0.12 0.00 0.00 56.93 55.71 1fny s PHE 8 Cb -0.07 -1.41 1.04 0.00 -0.57 0.00 0.00 43.02 42.01 1fny s PHE 8 CO -0.13 -0.73 1.94 -1.35 -0.10 0.00 0.00 175.22 174.86 1fny h PRO 9 N 8.07 0.00 -3.09 0.24 0.11 -1.89 -1.29 132.00 134.15 1fny h PRO 9 Ca -0.16 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.97 1fny h PRO 9 Cb 1.08 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 1fny h PRO 9 CO 0.39 0.24 0.20 -1.59 -0.21 0.00 0.00 178.00 177.03 1fny s LYS 10 N -4.23 1.91 -0.20 1.05 -2.85 -1.25 -4.44 119.74 109.73 1fny s LYS 10 Ca -0.03 -1.18 -0.05 0.00 -1.00 0.00 0.00 55.97 53.72 1fny s LYS 10 Cb 0.14 0.60 -0.02 0.00 -2.06 0.00 0.00 37.83 36.48 1fny s LYS 10 CO 0.66 -0.87 -0.00 -0.06 0.10 0.00 0.00 175.35 175.18 1fny s PHE 11 N -3.40 3.04 -0.05 1.78 0.40 -0.12 -4.95 117.98 114.68 1fny s PHE 11 Ca 0.14 -0.45 -0.27 0.00 -0.60 0.00 0.00 56.93 55.75 1fny s PHE 11 Cb -0.05 -2.08 -0.03 0.00 0.51 0.00 0.00 43.02 41.37 1fny s PHE 11 CO 0.09 -0.23 0.85 0.00 0.70 0.00 0.00 175.22 176.63 1fny s ALA 12 N 0.98 3.28 0.59 5.36 0.00 -1.26 -3.89 121.76 126.82 1fny s ALA 12 Ca 0.02 0.32 -0.14 0.00 0.00 0.00 0.00 51.96 52.15 1fny s ALA 12 Cb -0.14 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 1fny s ALA 12 CO 0.02 -0.24 1.03 -1.25 0.00 0.00 0.00 175.76 175.32 1fny s PRO 13 N 1.08 3.50 -1.60 0.00 0.04 -1.26 -4.03 135.00 132.72 1fny s PRO 13 Ca 0.45 0.99 -0.02 0.00 0.04 0.00 0.00 61.00 62.45 1fny s PRO 13 Cb -0.19 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.29 1fny s PRO 13 CO 0.22 -0.65 0.28 0.09 0.04 0.00 0.00 177.00 176.98 1fny n ASN 14 N -2.25 -5.83 -4.05 6.66 3.02 -1.26 -5.00 115.26 106.55 1fny n ASN 14 Ca 0.07 -0.14 -0.28 0.00 -0.03 0.00 0.00 54.58 54.20 1fny n ASN 14 Cb 0.54 -4.75 -0.17 0.00 -0.61 0.00 0.00 39.78 34.79 1fny n ASN 14 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1fny s GLN 15 N -5.31 2.13 0.00 3.52 -1.52 -1.26 -5.04 119.66 112.18 1fny s GLN 15 Ca 0.14 -0.53 0.00 0.00 -1.95 0.00 0.00 55.36 53.02 1fny s GLN 15 Cb -0.06 -1.81 0.00 0.00 -0.22 0.00 0.00 33.01 30.92 1fny s GLN 15 CO 0.17 -0.05 0.16 -0.35 -0.25 0.00 0.00 175.29 174.98 1fny n PRO 16 N 4.15 0.21 0.00 2.91 -0.04 -1.26 -3.56 135.00 137.41 1fny n PRO 16 Ca -0.19 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.39 1fny n PRO 16 Cb 0.51 -1.27 0.35 0.00 -0.04 0.00 0.00 33.50 33.05 1fny n PRO 16 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1fny n TYR 17 N 0.67 0.00 -4.64 0.54 0.18 -1.26 -4.68 117.16 107.98 1fny n TYR 17 Ca 0.00 0.00 -0.27 0.00 1.88 0.00 0.00 57.90 59.51 1fny n TYR 17 Cb 0.08 -0.27 -0.14 0.00 -0.38 0.00 0.00 39.34 38.63 1fny n TYR 17 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1fny s LEU 18 N -2.90 2.20 -0.35 -3.48 1.43 -1.23 -0.69 118.68 113.66 1fny s LEU 18 Ca 0.14 -0.59 -0.07 0.00 -1.03 0.00 0.00 54.13 52.59 1fny s LEU 18 Cb 0.18 -1.08 0.05 0.00 0.03 0.00 0.00 46.19 45.37 1fny s LEU 18 CO 0.64 0.18 0.13 -0.63 0.23 0.00 0.00 176.35 176.89 1fny s ILE 19 N -0.88 3.86 -0.03 -0.59 1.01 0.77 -4.80 121.20 120.55 1fny s ILE 19 Ca 0.09 -1.18 -0.22 0.00 0.00 0.00 0.00 60.65 59.34 1fny s ILE 19 Cb -0.09 -3.22 -0.05 0.00 0.01 0.00 0.00 42.46 39.11 1fny s ILE 19 CO 0.03 -0.24 0.65 0.20 0.00 0.00 0.00 174.94 175.57 1fny s ASN 20 N 1.51 6.99 0.09 3.58 0.02 -1.26 -1.03 114.94 124.85 1fny s ASN 20 Ca -0.01 1.19 0.06 0.00 -1.02 0.00 0.00 52.86 53.08 1fny s ASN 20 Cb -0.20 -2.39 -0.03 0.00 0.02 0.00 0.00 41.25 38.65 1fny s ASN 20 CO 0.03 0.01 -0.17 -1.10 0.02 0.00 0.00 177.10 175.89 1fny s GLN 21 N 0.22 0.97 5.97 -0.60 -0.21 0.41 -5.00 119.66 121.42 1fny s GLN 21 Ca 0.34 -1.08 0.00 0.00 0.02 0.00 0.00 55.36 54.64 1fny s GLN 21 Cb -0.18 -1.04 0.00 0.00 1.00 0.00 0.00 33.01 32.78 1fny s GLN 21 CO 0.18 0.23 0.00 0.41 -2.12 0.00 0.00 175.29 173.99 1fny n GLY 22 N 1.07 2.46 0.09 3.09 0.00 -1.26 -1.17 105.19 109.47 1fny n GLY 22 Ca -0.20 -0.44 0.15 0.00 0.00 0.00 0.00 46.02 45.53 1fny n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fny n ASP 23 N 2.61 0.36 -4.70 1.61 8.00 0.12 -4.92 116.55 119.63 1fny n ASP 23 Ca 0.00 -0.60 -0.42 0.00 0.71 0.00 0.00 54.79 54.48 1fny n ASP 23 Cb 0.00 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 1fny n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fny n ALA 24 N -0.97 1.33 -3.26 2.24 0.00 -1.08 -4.64 120.51 114.13 1fny n ALA 24 Ca 0.16 0.32 -0.10 0.00 0.00 0.00 0.00 53.44 53.83 1fny n ALA 24 Cb 0.25 -2.26 -0.04 0.00 0.00 0.00 0.00 19.45 17.40 1fny n ALA 24 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1fny s LEU 25 N -1.28 0.08 -0.18 0.00 0.05 -0.56 -4.72 118.68 112.07 1fny s LEU 25 Ca 0.57 -0.41 -0.03 0.00 0.05 0.00 0.00 54.13 54.32 1fny s LEU 25 Cb -0.54 2.13 -0.01 0.00 -2.05 0.00 0.00 46.19 45.71 1fny s LEU 25 CO 0.61 -1.01 -0.07 -0.69 -0.55 0.00 0.00 176.35 174.64 1fny s VAL 26 N -3.85 3.34 0.86 1.48 1.01 -1.26 -0.29 120.40 121.68 1fny s VAL 26 Ca 0.07 -0.53 -0.12 0.00 0.00 0.00 0.00 61.98 61.41 1fny s VAL 26 Cb -0.00 -2.47 0.10 0.00 0.00 0.00 0.00 36.38 34.01 1fny s VAL 26 CO -0.05 0.47 1.10 0.42 0.00 0.00 0.00 175.10 177.03 1fny s THR 27 N 0.95 2.77 0.36 3.92 -4.23 -0.10 -4.78 115.64 114.54 1fny s THR 27 Ca -0.01 0.25 0.35 0.00 -1.18 0.00 0.00 61.69 61.10 1fny s THR 27 Cb -0.15 -2.87 0.38 0.00 1.34 0.00 0.00 72.50 71.20 1fny s THR 27 CO 0.00 -0.33 2.12 0.77 -0.54 0.00 0.00 174.62 176.65 1fny h SER 28 N -1.35 0.00 0.07 3.99 4.64 -1.95 -1.71 113.55 117.24 1fny h SER 28 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1fny h SER 28 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1fny h SER 28 CO 0.57 0.04 -0.03 0.35 -0.87 0.00 0.00 176.83 176.89 1fny n THR 29 N -3.25 0.00 -0.51 2.95 -2.24 -1.26 -4.93 114.28 105.04 1fny n THR 29 Ca -0.01 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1fny n THR 29 Cb 0.22 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 1fny n THR 29 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fny n GLY 30 N 1.14 0.69 3.81 3.38 0.00 -0.64 -4.89 105.19 108.68 1fny n GLY 30 Ca 0.20 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 1fny n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fny s VAL 31 N -2.00 5.44 -0.68 1.61 1.01 -1.26 -0.94 120.40 123.59 1fny s VAL 31 Ca 0.00 0.24 -0.23 0.00 0.00 0.00 0.00 61.98 61.99 1fny s VAL 31 Cb 0.00 -3.45 0.07 0.00 0.00 0.00 0.00 36.38 33.00 1fny s VAL 31 CO 0.00 0.54 1.01 -0.22 0.00 0.00 0.00 175.10 176.43 1fny s LEU 32 N -0.44 4.26 -0.71 3.92 2.96 0.03 -0.92 118.68 127.78 1fny s LEU 32 Ca 0.13 -0.96 -0.21 0.00 -0.22 0.00 0.00 54.13 52.87 1fny s LEU 32 Cb -0.12 -2.43 0.09 0.00 0.50 0.00 0.00 46.19 44.22 1fny s LEU 32 CO 0.02 -1.48 0.97 -1.58 -1.32 0.00 0.00 176.35 172.96 1fny s GLN 33 N 4.23 3.21 0.09 1.98 0.74 0.60 -0.91 119.66 129.60 1fny s GLN 33 Ca 0.24 -1.09 -0.18 0.00 0.05 0.00 0.00 55.36 54.38 1fny s GLN 33 Cb -0.16 -4.39 -0.07 0.00 1.10 0.00 0.00 33.01 29.50 1fny s GLN 33 CO 0.10 -1.78 1.52 -0.07 -0.55 0.00 0.00 175.29 174.51 1fny h LEU 34 N 11.00 0.50 -9.38 3.68 3.38 -1.59 -1.48 115.31 121.42 1fny h LEU 34 Ca -0.19 -0.32 -0.62 0.00 0.09 0.00 0.00 57.88 56.84 1fny h LEU 34 Cb 1.06 -0.13 -0.13 0.00 0.09 0.00 0.00 40.66 41.55 1fny h LEU 34 CO 1.16 0.70 -0.70 0.42 0.09 0.00 0.00 178.44 180.11 1fny s THR 35 N -4.93 3.38 0.35 0.22 -4.23 -1.26 -2.64 115.64 106.52 1fny s THR 35 Ca -0.13 -1.57 -0.28 0.00 -1.18 0.00 0.00 61.69 58.52 1fny s THR 35 Cb 0.08 -2.68 -0.12 0.00 1.34 0.00 0.00 72.50 71.12 1fny s THR 35 CO 0.76 -0.10 1.42 0.59 -0.54 0.00 0.00 174.62 176.74 1fny n ASN 36 N 0.00 3.37 -3.84 3.99 5.03 -1.26 -4.75 115.26 117.80 1fny n ASN 36 Ca -0.10 1.21 -0.21 0.00 0.87 0.00 0.00 54.58 56.35 1fny n ASN 36 Cb 0.55 -1.56 -0.17 0.00 -1.02 0.00 0.00 39.78 37.58 1fny n ASN 36 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1fny s VAL 37 N -0.98 0.46 -0.30 2.41 1.01 -1.26 -0.89 120.40 120.84 1fny s VAL 37 Ca 0.55 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.50 1fny s VAL 37 Cb -0.52 -0.54 0.06 0.00 0.00 0.00 0.00 36.38 35.38 1fny s VAL 37 CO 0.62 0.23 0.00 -0.69 0.00 0.00 0.00 175.10 175.26 1fny s VAL 38 N 1.33 2.92 -1.37 2.92 1.01 0.98 -4.65 120.40 123.55 1fny s VAL 38 Ca -0.05 -1.47 -0.09 0.00 0.00 0.00 0.00 61.98 60.37 1fny s VAL 38 Cb -0.13 -2.71 0.02 0.00 0.00 0.00 0.00 36.38 33.55 1fny s VAL 38 CO -0.02 -0.15 1.16 -3.20 0.00 0.00 0.00 175.10 172.89 1fny n ASN 39 N 4.60 -6.05 0.00 3.32 5.15 -1.26 -1.70 115.26 119.32 1fny n ASN 39 Ca -0.12 -0.57 0.00 0.00 -0.60 0.00 0.00 54.58 53.29 1fny n ASN 39 Cb 0.43 -4.94 0.00 0.00 -0.53 0.00 0.00 39.78 34.74 1fny n ASN 39 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1fny n GLY 40 N -1.95 3.19 3.62 8.20 0.00 -1.26 -5.01 105.19 111.98 1fny n GLY 40 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1fny n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fny s VAL 41 N -1.83 5.12 0.34 1.61 1.01 -0.69 -5.03 120.40 120.94 1fny s VAL 41 Ca 0.00 0.76 -0.29 0.00 0.00 0.00 0.00 61.98 62.46 1fny s VAL 41 Cb 0.00 -3.77 -0.11 0.00 0.00 0.00 0.00 36.38 32.50 1fny s VAL 41 CO 0.00 0.14 1.40 -2.16 0.00 0.00 0.00 175.10 174.48 1fny s PRO 42 N 2.04 4.24 0.33 2.72 0.04 -1.26 -0.01 135.00 143.09 1fny s PRO 42 Ca 0.19 2.38 -0.07 0.00 0.04 0.00 0.00 61.00 63.54 1fny s PRO 42 Cb -0.16 -3.03 -0.06 0.00 0.04 0.00 0.00 34.50 31.30 1fny s PRO 42 CO 0.09 -0.36 0.63 -1.12 0.04 0.00 0.00 177.00 176.28 1fny s SER 43 N -0.24 6.48 0.65 6.66 0.01 -0.06 -4.71 113.70 122.48 1fny s SER 43 Ca 0.52 0.87 -0.06 0.00 1.31 0.00 0.00 55.95 58.59 1fny s SER 43 Cb -0.43 -2.21 0.03 0.00 0.21 0.00 0.00 66.02 63.62 1fny s SER 43 CO 0.56 -0.27 0.96 -0.94 0.41 0.00 0.00 173.24 173.96 1fny s SER 44 N -3.14 5.22 -1.43 2.44 1.04 -1.26 -4.25 113.70 112.33 1fny s SER 44 Ca 0.47 0.60 -0.10 0.00 0.48 0.00 0.00 55.95 57.40 1fny s SER 44 Cb -0.11 -1.42 0.06 0.00 0.10 0.00 0.00 66.02 64.65 1fny s SER 44 CO 0.30 -1.32 0.68 0.29 0.98 0.00 0.00 173.24 174.17 1fny n LYS 45 N -2.75 -4.40 -3.98 4.02 5.02 0.71 -4.97 118.16 111.81 1fny n LYS 45 Ca 0.06 0.61 -0.31 0.00 -2.02 0.00 0.00 58.31 56.65 1fny n LYS 45 Cb 0.59 -5.41 -0.05 0.00 -0.02 0.00 0.00 35.03 30.14 1fny n LYS 45 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1fny s SER 46 N -2.90 6.00 -0.15 4.39 0.15 -1.26 -4.95 113.70 114.97 1fny s SER 46 Ca 0.47 0.15 -0.07 0.00 0.70 0.00 0.00 55.95 57.20 1fny s SER 46 Cb -0.24 -1.75 0.06 0.00 -1.71 0.00 0.00 66.02 62.39 1fny s SER 46 CO 0.58 0.17 0.34 -0.22 1.20 0.00 0.00 173.24 175.30 1fny s LEU 47 N -2.48 -0.14 -0.01 3.45 0.20 -1.26 -1.84 118.68 116.60 1fny s LEU 47 Ca 0.33 0.76 -0.05 0.00 0.69 0.00 0.00 54.13 55.85 1fny s LEU 47 Cb -0.13 1.05 0.00 0.00 -0.43 0.00 0.00 46.19 46.69 1fny s LEU 47 CO 0.25 -0.21 0.11 -0.83 -0.29 0.00 0.00 176.35 175.39 1fny s GLY 48 N 1.86 0.03 0.04 7.98 0.00 -0.58 0.12 107.32 116.77 1fny s GLY 48 Ca -0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 44.72 44.62 1fny s GLY 48 CO -0.11 -0.12 -0.00 0.50 0.00 0.00 0.00 173.10 173.36 1fny s ARG 49 N -0.88 0.53 -0.07 2.90 0.52 -0.31 -1.21 118.95 120.43 1fny s ARG 49 Ca -0.10 -0.97 -0.03 0.00 -0.52 0.00 0.00 55.73 54.11 1fny s ARG 49 Cb -0.06 0.19 0.04 0.00 0.52 0.00 0.00 34.95 35.65 1fny s ARG 49 CO 0.01 -0.10 0.14 0.00 0.02 0.00 0.00 175.30 175.36 1fny s ALA 50 N -3.05 -0.19 0.13 2.13 0.00 0.15 -0.44 121.76 120.49 1fny s ALA 50 Ca -0.01 0.60 0.10 0.00 0.00 0.00 0.00 51.96 52.64 1fny s ALA 50 Cb 0.02 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 1fny s ALA 50 CO -0.07 -0.31 -0.20 -0.51 0.00 0.00 0.00 175.76 174.67 1fny s LEU 51 N 1.61 2.62 0.48 0.00 1.43 -0.20 -0.89 118.68 123.74 1fny s LEU 51 Ca -0.04 -0.62 -0.22 0.00 -1.03 0.00 0.00 54.13 52.22 1fny s LEU 51 Cb -0.12 -1.46 -0.07 0.00 0.03 0.00 0.00 46.19 44.57 1fny s LEU 51 CO -0.06 0.17 1.18 -0.47 0.23 0.00 0.00 176.35 177.40 1fny s TYR 52 N -1.19 2.79 0.37 0.29 5.04 -0.59 -0.16 117.35 123.90 1fny s TYR 52 Ca 0.18 1.52 0.07 0.00 -2.44 0.00 0.00 57.07 56.40 1fny s TYR 52 Cb -0.10 -3.40 0.77 0.00 0.35 0.00 0.00 41.96 39.57 1fny s TYR 52 CO 0.10 -1.64 1.96 0.00 -1.34 0.00 0.00 175.55 174.63 1fny h ALA 53 N 1.86 1.73 -3.26 3.97 0.00 -1.18 -3.43 119.26 118.95 1fny h ALA 53 Ca -0.50 -0.02 -0.66 0.00 0.00 0.00 0.00 54.91 53.74 1fny h ALA 53 Cb 1.25 -0.18 -0.12 0.00 0.00 0.00 0.00 17.79 18.74 1fny h ALA 53 CO 0.59 0.16 -0.62 0.00 0.00 0.00 0.00 179.25 179.38 1fny s ALA 54 N -5.65 3.40 0.74 0.00 0.00 -1.26 -4.99 121.76 114.01 1fny s ALA 54 Ca -0.10 -0.94 -0.06 0.00 0.00 0.00 0.00 51.96 50.87 1fny s ALA 54 Cb 0.19 -1.42 0.11 0.00 0.00 0.00 0.00 23.12 22.00 1fny s ALA 54 CO 0.77 0.67 1.04 -1.25 0.00 0.00 0.00 175.76 176.99 1fny s PRO 55 N -1.72 1.76 0.08 0.00 0.04 -1.26 -4.77 135.00 129.13 1fny s PRO 55 Ca 0.22 -0.61 0.02 0.00 0.04 0.00 0.00 61.00 60.66 1fny s PRO 55 Cb -0.12 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 1fny s PRO 55 CO 0.13 -1.48 -0.07 -0.59 0.04 0.00 0.00 177.00 175.03 1fny s PHE 56 N -3.29 0.82 -0.32 0.56 -0.12 -0.50 -4.93 117.98 110.20 1fny s PHE 56 Ca 0.64 -0.83 -0.22 0.00 -0.05 0.00 0.00 56.93 56.47 1fny s PHE 56 Cb -0.08 -0.48 -0.00 0.00 -0.63 0.00 0.00 43.02 41.83 1fny s PHE 56 CO 0.46 -0.15 0.71 -1.14 -0.05 0.00 0.00 175.22 175.05 1fny s GLN 57 N -3.35 3.87 0.16 1.99 0.74 -1.26 -1.67 119.66 120.15 1fny s GLN 57 Ca 0.07 0.38 0.23 0.00 0.05 0.00 0.00 55.36 56.08 1fny s GLN 57 Cb 0.02 -3.75 0.12 0.00 1.10 0.00 0.00 33.01 30.50 1fny s GLN 57 CO -0.04 -0.68 1.14 0.97 -0.55 0.00 0.00 175.29 176.13 1fny h ILE 58 N 5.61 0.00 -2.74 -2.34 2.10 -0.91 -3.44 117.51 115.80 1fny h ILE 58 Ca -0.25 -0.78 0.01 0.00 1.08 0.00 0.00 64.86 64.91 1fny h ILE 58 Cb 1.11 1.29 -0.13 0.00 -1.09 0.00 0.00 36.82 37.99 1fny h ILE 58 CO 0.85 0.00 0.28 -1.66 -1.08 0.00 0.00 178.15 176.54 1fny s TRP 59 N -3.28 -0.50 -0.12 2.19 1.48 -1.18 -0.52 118.94 117.00 1fny s TRP 59 Ca 0.02 0.37 0.02 0.00 -1.06 0.00 0.00 56.10 55.46 1fny s TRP 59 Cb 0.11 0.54 0.01 0.00 -1.16 0.00 0.00 33.47 32.98 1fny s TRP 59 CO 0.77 -0.75 -0.19 0.34 -4.06 0.00 0.00 176.95 173.06 1fny s ASP 60 N -2.53 2.77 0.44 -2.66 -1.08 -0.54 -4.60 116.67 108.46 1fny s ASP 60 Ca 0.01 -0.51 0.24 0.00 -0.52 0.00 0.00 52.55 51.76 1fny s ASP 60 Cb -0.01 -1.26 0.88 0.00 -1.46 0.00 0.00 42.92 41.07 1fny s ASP 60 CO -0.10 0.05 1.81 0.77 0.52 0.00 0.00 175.17 178.22 1fny h SER 61 N 7.34 0.00 0.01 -0.34 4.64 -1.93 0.56 113.55 123.83 1fny h SER 61 Ca -0.31 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.96 1fny h SER 61 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1fny h SER 61 CO 0.52 0.22 -0.20 0.74 -0.87 0.00 0.00 176.83 177.24 1fny h THR 62 N 0.00 1.61 0.00 2.95 2.02 -1.97 -3.36 112.91 114.16 1fny h THR 62 Ca -0.00 -2.07 -0.14 0.00 0.77 0.00 0.00 66.41 64.97 1fny h THR 62 Cb 0.77 2.96 -0.02 0.00 -1.74 0.00 0.00 68.15 70.12 1fny h THR 62 CO 0.03 0.56 -1.39 0.35 0.37 0.00 0.00 175.52 175.43 1fny n THR 63 N -4.53 1.05 -0.86 3.16 -2.24 -1.23 -4.96 114.28 104.66 1fny n THR 63 Ca -0.10 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 1fny n THR 63 Cb 0.51 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 1fny n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fny n GLY 64 N 1.36 0.92 3.78 3.38 0.00 0.20 -5.02 105.19 109.81 1fny n GLY 64 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 1fny n GLY 64 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1fny s ASN 65 N -2.96 5.24 -0.01 1.61 0.01 -1.22 -4.77 114.94 112.84 1fny s ASN 65 Ca 0.00 1.91 0.07 0.00 -0.71 0.00 0.00 52.86 54.13 1fny s ASN 65 Cb 0.00 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 39.10 1fny s ASN 65 CO 0.00 -1.54 -0.23 -0.69 -1.51 0.00 0.00 177.10 173.13 1fny s VAL 66 N -2.47 1.81 0.47 1.60 1.01 -1.26 -1.47 120.40 120.09 1fny s VAL 66 Ca 0.65 -1.02 -0.16 0.00 0.00 0.00 0.00 61.98 61.44 1fny s VAL 66 Cb -0.19 -1.51 -0.08 0.00 0.00 0.00 0.00 36.38 34.60 1fny s VAL 66 CO 0.43 0.47 0.93 0.00 0.00 0.00 0.00 175.10 176.92 1fny s ALA 67 N -0.58 3.12 0.07 5.51 0.00 0.32 -4.56 121.76 125.64 1fny s ALA 67 Ca 0.09 0.15 0.07 0.00 0.00 0.00 0.00 51.96 52.27 1fny s ALA 67 Cb -0.09 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 1fny s ALA 67 CO -0.00 -0.10 -0.13 -1.12 0.00 0.00 0.00 175.76 174.41 1fny s SER 68 N -2.88 4.17 0.20 0.00 0.01 -0.69 -4.30 113.70 110.21 1fny s SER 68 Ca 0.58 -0.38 -0.15 0.00 1.31 0.00 0.00 55.95 57.31 1fny s SER 68 Cb -0.10 -0.76 0.01 0.00 0.21 0.00 0.00 66.02 65.38 1fny s SER 68 CO 0.27 0.22 0.47 0.72 0.41 0.00 0.00 173.24 175.33 1fny s PHE 69 N -1.07 0.10 0.02 2.43 -0.12 -0.95 -1.32 117.98 117.07 1fny s PHE 69 Ca 0.18 -0.46 -0.07 0.00 -0.05 0.00 0.00 56.93 56.53 1fny s PHE 69 Cb -0.11 0.26 -0.00 0.00 -0.63 0.00 0.00 43.02 42.54 1fny s PHE 69 CO 0.09 -0.90 0.12 0.14 -0.05 0.00 0.00 175.22 174.62 1fny s VAL 70 N -3.93 0.10 -0.07 -2.49 -7.23 0.13 -0.67 120.40 106.25 1fny s VAL 70 Ca 0.14 -0.86 -0.17 0.00 -1.81 0.00 0.00 61.98 59.28 1fny s VAL 70 Cb -0.00 -0.63 0.04 0.00 0.56 0.00 0.00 36.38 36.34 1fny s VAL 70 CO 0.01 -0.47 0.40 0.28 -0.31 0.00 0.00 175.10 175.01 1fny s THR 71 N -1.93 0.03 0.02 5.32 -1.32 -0.16 -1.21 115.64 116.39 1fny s THR 71 Ca -0.11 -0.24 0.00 0.00 -1.21 0.00 0.00 61.69 60.14 1fny s THR 71 Cb -0.05 -0.66 -0.02 0.00 -1.51 0.00 0.00 72.50 70.27 1fny s THR 71 CO -0.01 -0.13 -0.02 -0.94 -2.21 0.00 0.00 174.62 171.30 1fny s SER 72 N -0.75 0.21 0.19 8.08 1.04 -0.59 -0.90 113.70 120.97 1fny s SER 72 Ca -0.08 -0.37 -0.21 0.00 0.48 0.00 0.00 55.95 55.76 1fny s SER 72 Cb -0.04 0.07 0.05 0.00 0.10 0.00 0.00 66.02 66.20 1fny s SER 72 CO 0.04 -0.22 0.60 0.72 0.98 0.00 0.00 173.24 175.36 1fny s PHE 73 N -1.08 -0.36 0.07 5.02 -0.71 -0.76 -0.87 117.98 119.28 1fny s PHE 73 Ca -0.12 0.07 0.10 0.00 -1.04 0.00 0.00 56.93 55.93 1fny s PHE 73 Cb -0.07 0.55 -0.03 0.00 -1.21 0.00 0.00 43.02 42.25 1fny s PHE 73 CO -0.01 -0.94 -0.26 0.95 -1.34 0.00 0.00 175.22 173.62 1fny s THR 74 N -3.81 2.13 0.15 -4.49 -4.23 -1.13 0.07 115.64 104.33 1fny s THR 74 Ca 0.05 -1.49 -0.14 0.00 -1.18 0.00 0.00 61.69 58.92 1fny s THR 74 Cb -0.02 -1.84 0.02 0.00 1.34 0.00 0.00 72.50 72.00 1fny s THR 74 CO -0.07 0.26 0.40 0.72 -0.54 0.00 0.00 174.62 175.40 1fny s PHE 75 N -0.89 -0.02 -0.01 3.99 -0.12 -0.20 -0.69 117.98 120.04 1fny s PHE 75 Ca 0.12 -0.32 0.02 0.00 -0.05 0.00 0.00 56.93 56.70 1fny s PHE 75 Cb -0.10 0.21 -0.00 0.00 -0.63 0.00 0.00 43.02 42.50 1fny s PHE 75 CO 0.03 -0.76 -0.07 0.42 -0.05 0.00 0.00 175.22 174.79 1fny s ILE 76 N -3.86 0.59 -0.18 -4.49 1.01 0.05 -0.82 121.20 113.50 1fny s ILE 76 Ca 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.43 1fny s ILE 76 Cb 0.01 -0.51 0.04 0.00 0.01 0.00 0.00 42.46 42.02 1fny s ILE 76 CO -0.06 0.18 -0.07 -0.63 0.00 0.00 0.00 174.94 174.35 1fny s ILE 77 N -0.05 1.34 -0.06 2.92 1.01 -1.26 -1.80 121.20 123.30 1fny s ILE 77 Ca 0.01 -0.80 0.05 0.00 0.00 0.00 0.00 60.65 59.91 1fny s ILE 77 Cb -0.04 -1.48 -0.02 0.00 0.01 0.00 0.00 42.46 40.93 1fny s ILE 77 CO -0.00 0.14 -0.21 -1.58 0.00 0.00 0.00 174.94 173.29 1fny s GLN 78 N 1.53 2.61 -0.01 2.79 2.00 -1.25 -1.19 119.66 126.14 1fny s GLN 78 Ca -0.00 -0.83 0.01 0.00 -2.00 0.00 0.00 55.36 52.54 1fny s GLN 78 Cb -0.16 -2.27 0.00 0.00 0.80 0.00 0.00 33.01 31.39 1fny s GLN 78 CO -0.08 0.43 -0.04 0.00 -0.50 0.00 0.00 175.29 175.11 1fny s ALA 79 N -0.27 0.37 0.17 1.58 0.00 -1.26 -0.62 121.76 121.73 1fny s ALA 79 Ca 0.00 -0.12 -0.14 0.00 0.00 0.00 0.00 51.96 51.71 1fny s ALA 79 Cb -0.13 -0.15 0.08 0.00 0.00 0.00 0.00 23.12 22.92 1fny s ALA 79 CO 0.03 0.06 1.83 -1.35 0.00 0.00 0.00 175.76 176.32 1fny h PRO 80 N 6.32 0.64 -4.55 0.00 0.11 -1.93 -3.35 132.00 129.23 1fny h PRO 80 Ca -0.31 -0.04 -0.68 0.00 0.11 0.00 0.00 66.00 65.08 1fny h PRO 80 Cb 1.18 -0.14 -0.36 0.00 0.11 0.00 0.00 31.00 31.79 1fny h PRO 80 CO 0.50 0.42 -0.60 1.21 -0.21 0.00 0.00 178.00 179.32 1fny s ASN 81 N -5.63 5.11 0.00 -2.05 3.04 -1.26 -4.97 114.94 109.19 1fny s ASN 81 Ca -0.13 -2.03 0.02 0.00 0.04 0.00 0.00 52.86 50.75 1fny s ASN 81 Cb 0.12 -1.77 0.07 0.00 -1.54 0.00 0.00 41.25 38.13 1fny s ASN 81 CO 0.74 -0.49 1.04 -0.81 -3.04 0.00 0.00 177.10 174.54 1fny n PRO 82 N 4.50 0.00 0.11 0.43 -0.04 -1.26 -1.51 135.00 137.24 1fny n PRO 82 Ca -0.01 0.46 0.05 0.00 -0.04 0.00 0.00 63.50 63.97 1fny n PRO 82 Cb 0.42 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.39 1fny n PRO 82 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fny h ALA 83 N 2.06 0.68 -3.18 0.55 0.00 -1.95 -3.41 119.26 114.01 1fny h ALA 83 Ca 0.00 -0.39 -0.62 0.00 0.00 0.00 0.00 54.91 53.90 1fny h ALA 83 Cb 0.03 0.06 -0.40 0.00 0.00 0.00 0.00 17.79 17.47 1fny h ALA 83 CO 0.00 0.46 -0.69 0.95 0.00 0.00 0.00 179.25 179.97 1fny s THR 84 N -3.09 1.95 0.05 0.00 -4.23 -0.57 -5.09 115.64 104.67 1fny s THR 84 Ca 0.01 -2.89 0.08 0.00 -1.18 0.00 0.00 61.69 57.71 1fny s THR 84 Cb 0.08 -2.36 -0.03 0.00 1.34 0.00 0.00 72.50 71.52 1fny s THR 84 CO 0.76 -0.84 -0.21 0.42 -0.54 0.00 0.00 174.62 174.21 1fny s THR 85 N 0.08 2.58 -0.19 3.99 -4.23 -1.26 -3.66 115.64 112.95 1fny s THR 85 Ca 0.17 -1.28 -0.30 0.00 -1.18 0.00 0.00 61.69 59.10 1fny s THR 85 Cb -0.25 -2.07 0.14 0.00 1.34 0.00 0.00 72.50 71.66 1fny s THR 85 CO -0.00 0.33 1.08 0.00 -0.54 0.00 0.00 174.62 175.49 1fny s ALA 86 N -0.90 -1.98 -0.07 3.99 0.00 -1.26 -4.13 121.76 117.41 1fny s ALA 86 Ca 0.14 1.65 0.05 0.00 0.00 0.00 0.00 51.96 53.80 1fny s ALA 86 Cb -0.10 -0.89 -0.08 0.00 0.00 0.00 0.00 23.12 22.05 1fny s ALA 86 CO 0.05 -0.30 0.01 -0.25 0.00 0.00 0.00 175.76 175.27 1fny n ASP 87 N 0.67 3.33 0.00 0.00 8.00 -0.28 -2.38 116.55 125.89 1fny n ASP 87 Ca -0.08 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.41 1fny n ASP 87 Cb 0.58 0.55 0.00 0.00 -0.02 0.00 0.00 41.12 42.23 1fny n ASP 87 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fny n GLY 88 N 2.66 1.10 3.07 0.44 0.00 -1.14 -2.05 105.19 109.27 1fny n GLY 88 Ca -0.12 -1.35 -0.18 0.00 0.00 0.00 0.00 46.02 44.37 1fny n GLY 88 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1fny s LEU 89 N 0.00 2.11 0.03 0.99 0.20 -0.67 -2.40 118.68 118.94 1fny s LEU 89 Ca 0.00 -0.33 -0.06 0.00 0.69 0.00 0.00 54.13 54.43 1fny s LEU 89 Cb 0.00 -0.47 -0.01 0.00 -0.43 0.00 0.00 46.19 45.29 1fny s LEU 89 CO 0.00 0.04 0.12 0.00 -0.29 0.00 0.00 176.35 176.21 1fny s ALA 90 N -0.62 -0.18 -0.12 5.97 0.00 0.31 -0.30 121.76 126.83 1fny s ALA 90 Ca 0.01 -0.40 -0.04 0.00 0.00 0.00 0.00 51.96 51.53 1fny s ALA 90 Cb -0.06 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 1fny s ALA 90 CO 0.00 -0.29 0.02 0.12 0.00 0.00 0.00 175.76 175.61 1fny s PHE 91 N -2.25 3.18 0.13 0.00 5.36 -0.48 -1.41 117.98 122.50 1fny s PHE 91 Ca -0.08 0.09 -0.09 0.00 -0.96 0.00 0.00 56.93 55.90 1fny s PHE 91 Cb -0.03 -1.89 -0.00 0.00 -0.34 0.00 0.00 43.02 40.75 1fny s PHE 91 CO -0.03 0.32 0.24 -0.59 -1.46 0.00 0.00 175.22 173.70 1fny s PHE 92 N -0.38 0.28 -0.03 10.12 -0.71 -0.04 -0.77 117.98 126.45 1fny s PHE 92 Ca 0.08 -0.67 0.06 0.00 -1.04 0.00 0.00 56.93 55.36 1fny s PHE 92 Cb -0.12 -0.06 -0.01 0.00 -1.21 0.00 0.00 43.02 41.62 1fny s PHE 92 CO 0.02 -0.63 -0.21 -0.51 -1.34 0.00 0.00 175.22 172.55 1fny s LEU 93 N -2.91 2.02 0.30 -1.99 1.43 0.07 -1.73 118.68 115.86 1fny s LEU 93 Ca 0.11 -0.39 -0.19 0.00 -1.03 0.00 0.00 54.13 52.62 1fny s LEU 93 Cb 0.04 -1.10 0.04 0.00 0.03 0.00 0.00 46.19 45.20 1fny s LEU 93 CO -0.06 0.24 0.81 0.00 0.23 0.00 0.00 176.35 177.57 1fny s ALA 94 N -0.35 -1.12 0.71 4.21 0.00 -0.69 -2.21 121.76 122.32 1fny s ALA 94 Ca 0.04 -0.44 -0.16 0.00 0.00 0.00 0.00 51.96 51.40 1fny s ALA 94 Cb -0.10 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.75 1fny s ALA 94 CO 0.00 -1.02 0.74 -2.30 0.00 0.00 0.00 175.76 173.18 1fny n PRO 95 N -0.51 0.42 0.07 0.00 -0.02 -1.26 -0.75 135.00 132.94 1fny n PRO 95 Ca -0.06 0.19 0.15 0.00 -2.02 0.00 0.00 63.50 61.76 1fny n PRO 95 Cb 0.60 -2.01 0.64 0.00 -0.02 0.00 0.00 33.50 32.70 1fny n PRO 95 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1fny h VAL 96 N -0.27 0.85 -0.43 -1.45 -1.51 -1.89 -1.01 116.25 110.55 1fny h VAL 96 Ca -0.46 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 1fny h VAL 96 Cb 1.34 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 1fny h VAL 96 CO 0.45 0.01 0.00 -0.90 -1.23 0.00 0.00 177.57 175.90 1fny n ASP 97 N -4.45 3.54 -4.61 4.19 5.75 -1.26 -4.78 116.55 114.93 1fny n ASP 97 Ca 0.06 -2.37 -0.48 0.00 -0.01 0.00 0.00 54.79 51.99 1fny n ASP 97 Cb 0.40 -0.51 -0.04 0.00 -1.03 0.00 0.00 41.12 39.94 1fny n ASP 97 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1fny n THR 98 N 0.63 0.64 -4.33 2.12 5.66 -0.38 -5.01 114.28 113.62 1fny n THR 98 Ca 0.18 -0.16 -0.23 0.00 -3.05 0.00 0.00 64.05 60.79 1fny n THR 98 Cb 0.69 -1.06 -0.12 0.00 -1.55 0.00 0.00 70.33 68.30 1fny n THR 98 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1fny s GLN 99 N -0.09 1.25 0.38 1.09 -1.52 -1.26 -5.08 119.66 114.44 1fny s GLN 99 Ca 0.75 -1.36 -0.26 0.00 -1.95 0.00 0.00 55.36 52.54 1fny s GLN 99 Cb -0.81 -1.37 -0.11 0.00 -0.22 0.00 0.00 33.01 30.50 1fny s GLN 99 CO 0.49 0.29 1.20 -0.35 -0.25 0.00 0.00 175.29 176.67 1fny n PRO 100 N 0.48 1.83 0.00 2.91 -0.04 -1.26 -4.97 135.00 133.95 1fny n PRO 100 Ca -0.15 0.65 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 1fny n PRO 100 Cb 0.56 -2.25 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 1fny n PRO 100 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1fny n LEU 101 N 0.54 0.00 -4.75 1.53 4.77 -0.45 -5.02 117.00 113.61 1fny n LEU 101 Ca 0.07 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.69 1fny n LEU 101 Cb 0.38 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.50 1fny n LEU 101 CO 0.60 0.00 0.84 -1.81 -1.33 0.00 0.00 177.39 175.68 1fny s ASP 102 N -0.03 5.15 0.99 -1.43 -0.00 -1.01 -4.69 116.67 115.66 1fny s ASP 102 Ca 0.00 2.38 -0.10 0.00 -0.00 0.00 0.00 52.55 54.82 1fny s ASP 102 Cb 0.00 -2.60 0.14 0.00 -0.00 0.00 0.00 42.92 40.47 1fny s ASP 102 CO 0.00 -1.62 0.84 0.18 -0.00 0.00 0.00 175.17 174.57 1fny n LEU 103 N -1.66 0.00 0.00 1.23 4.77 -1.26 -0.52 117.00 119.57 1fny n LEU 103 Ca 0.14 -0.93 0.00 0.00 -0.03 0.00 0.00 56.01 55.18 1fny n LEU 103 Cb 0.50 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1fny n LEU 103 CO 0.45 -1.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.02 1fny n GLY 104 N -0.51 3.34 0.19 -0.72 0.00 -1.26 -2.21 105.19 104.01 1fny n GLY 104 Ca 0.11 0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.29 1fny n GLY 104 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1fny h GLY 105 N 0.00 0.00 0.98 -0.02 0.00 -1.91 -0.47 103.07 101.66 1fny h GLY 105 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1fny h GLY 105 CO 0.00 0.00 -0.06 1.03 0.00 0.00 0.00 176.54 177.51 1fny n MET 106 N -2.35 0.74 -1.27 4.80 2.00 -0.94 -4.91 117.12 115.19 1fny n MET 106 Ca -0.02 -0.18 -0.11 0.00 0.00 0.00 0.00 57.70 57.39 1fny n MET 106 Cb 0.07 -1.50 -0.05 0.00 0.00 0.00 0.00 33.22 31.74 1fny n MET 106 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1fny n LEU 107 N -0.97 -0.73 0.00 4.03 4.77 -0.18 -2.01 117.00 121.91 1fny n LEU 107 Ca 0.16 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1fny n LEU 107 Cb 0.24 -1.99 0.00 0.00 -2.33 0.00 0.00 43.42 39.34 1fny n LEU 107 CO 0.22 -0.70 0.00 0.61 -1.33 0.00 0.00 177.39 176.19 1fny n GLY 108 N -0.11 0.50 0.00 -0.72 0.00 0.33 -4.06 105.19 101.14 1fny n GLY 108 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1fny n GLY 108 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1fny n ILE 109 N -2.39 0.00 -4.24 -0.61 -5.35 -0.85 -1.34 119.36 104.58 1fny n ILE 109 Ca 0.00 -0.44 -0.15 0.00 -0.27 0.00 0.00 62.75 61.89 1fny n ILE 109 Cb 0.08 1.05 -0.10 0.00 -1.74 0.00 0.00 39.64 38.93 1fny n ILE 109 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1fny s PHE 110 N -0.51 1.28 0.13 4.28 0.08 -1.01 -4.90 117.98 117.32 1fny s PHE 110 Ca 0.00 -0.69 0.00 0.00 0.12 0.00 0.00 56.93 56.36 1fny s PHE 110 Cb 0.00 -0.66 0.00 0.00 -0.57 0.00 0.00 43.02 41.79 1fny s PHE 110 CO 0.00 0.09 0.00 1.17 -0.10 0.00 0.00 175.22 176.38 1fny n LYS 111 N 0.05 0.00 -4.04 0.44 4.81 -1.26 -2.39 118.16 115.77 1fny n LYS 111 Ca -0.12 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 56.99 1fny n LYS 111 Cb 0.59 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 35.50 1fny n LYS 111 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 1fny s PHE 115 N -1.33 3.27 -0.31 5.64 5.36 -1.26 -5.00 117.98 124.35 1fny s PHE 115 Ca 0.00 -2.24 -0.20 0.00 -0.96 0.00 0.00 56.93 53.53 1fny s PHE 115 Cb 0.00 -1.97 -0.01 0.00 -0.34 0.00 0.00 43.02 40.70 1fny s PHE 115 CO 0.00 -0.86 0.63 1.21 -1.46 0.00 0.00 175.22 174.74 1fny s ASN 116 N 1.13 6.50 0.00 6.13 3.04 -1.26 -4.92 114.94 125.56 1fny s ASN 116 Ca -0.08 0.41 0.06 0.00 0.04 0.00 0.00 52.86 53.29 1fny s ASN 116 Cb -0.20 -2.33 0.37 0.00 -1.54 0.00 0.00 41.25 37.55 1fny s ASN 116 CO -0.04 -0.49 0.85 2.29 -3.04 0.00 0.00 177.10 176.67 1fny n LYS 117 N 5.90 0.19 0.00 0.43 2.85 -1.26 -0.93 118.16 125.34 1fny n LYS 117 Ca -0.01 0.02 0.08 0.00 -1.05 0.00 0.00 58.31 57.35 1fny n LYS 117 Cb 0.49 -1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 33.32 1fny n LYS 117 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1fny n SER 118 N -1.02 1.24 -2.12 -5.58 7.64 -1.26 -4.38 113.62 108.13 1fny n SER 118 Ca 0.05 -1.12 -0.28 0.00 1.01 0.00 0.00 58.87 58.53 1fny n SER 118 Cb 0.02 0.75 0.08 0.00 -1.01 0.00 0.00 64.21 64.06 1fny n SER 118 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1fny n ASN 119 N -0.79 6.08 -4.76 6.43 4.13 -0.11 -4.80 115.26 121.44 1fny n ASN 119 Ca 0.05 -3.76 -0.41 0.00 1.68 0.00 0.00 54.58 52.14 1fny n ASN 119 Cb 0.31 -0.76 -0.01 0.00 -1.54 0.00 0.00 39.78 37.79 1fny n ASN 119 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1fny s GLN 120 N -3.66 4.14 -0.15 3.52 -0.21 -1.26 -4.94 119.66 117.10 1fny s GLN 120 Ca 0.58 2.53 -0.21 0.00 0.02 0.00 0.00 55.36 58.28 1fny s GLN 120 Cb 0.47 -3.01 0.05 0.00 1.00 0.00 0.00 33.01 31.52 1fny s GLN 120 CO 0.01 -0.54 0.55 -1.50 -2.12 0.00 0.00 175.29 171.69 1fny s ILE 121 N -0.58 0.01 -0.08 1.08 2.07 -1.26 -4.15 121.20 118.29 1fny s ILE 121 Ca 0.57 -0.06 0.04 0.00 -1.41 0.00 0.00 60.65 59.79 1fny s ILE 121 Cb -0.46 -0.80 0.00 0.00 0.13 0.00 0.00 42.46 41.33 1fny s ILE 121 CO 0.55 -0.03 -0.19 -0.69 -1.91 0.00 0.00 174.94 172.66 1fny s VAL 122 N -0.19 1.68 0.06 4.00 1.01 -0.94 -0.77 120.40 125.25 1fny s VAL 122 Ca -0.04 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.04 1fny s VAL 122 Cb -0.03 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.88 1fny s VAL 122 CO 0.03 0.48 0.20 0.00 0.00 0.00 0.00 175.10 175.80 1fny s ALA 123 N 0.36 -0.33 -0.21 5.51 0.00 -0.07 -0.75 121.76 126.26 1fny s ALA 123 Ca -0.14 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 1fny s ALA 123 Cb -0.16 0.35 0.02 0.00 0.00 0.00 0.00 23.12 23.33 1fny s ALA 123 CO 0.06 -0.41 -0.12 0.08 0.00 0.00 0.00 175.76 175.37 1fny s VAL 124 N -3.00 2.62 0.05 0.00 1.01 0.05 -0.50 120.40 120.63 1fny s VAL 124 Ca -0.02 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.13 1fny s VAL 124 Cb 0.01 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1fny s VAL 124 CO -0.06 0.39 -0.07 -1.83 0.00 0.00 0.00 175.10 173.54 1fny s GLU 125 N 1.34 2.42 -0.54 2.72 -1.05 0.71 -1.38 118.70 122.92 1fny s GLU 125 Ca 0.03 -0.83 0.01 0.00 -0.15 0.00 0.00 54.97 54.03 1fny s GLU 125 Cb -0.15 -2.45 0.14 0.00 -0.44 0.00 0.00 34.13 31.24 1fny s GLU 125 CO -0.08 0.56 0.31 -0.06 0.95 0.00 0.00 175.26 176.95 1fny s PHE 126 N -1.11 3.32 -0.36 4.83 0.40 0.59 -0.88 117.98 124.76 1fny s PHE 126 Ca 0.20 -2.97 -0.22 0.00 -0.60 0.00 0.00 56.93 53.33 1fny s PHE 126 Cb -0.11 -2.98 0.01 0.00 0.51 0.00 0.00 43.02 40.44 1fny s PHE 126 CO 0.11 -0.80 0.73 0.34 0.70 0.00 0.00 175.22 176.30 1fny s ASP 127 N 0.22 6.50 0.00 1.36 3.68 -0.59 -1.67 116.67 126.17 1fny s ASP 127 Ca 0.16 0.27 0.25 0.00 2.13 0.00 0.00 52.55 55.37 1fny s ASP 127 Cb -0.23 -2.37 0.68 0.00 -1.45 0.00 0.00 42.92 39.55 1fny s ASP 127 CO -0.02 -0.68 1.53 0.35 0.13 0.00 0.00 175.17 176.49 1fny n THR 128 N 5.70 0.06 -3.71 1.71 -2.24 -0.87 -1.77 114.28 113.17 1fny n THR 128 Ca 0.01 -0.38 -0.16 0.00 -2.27 0.00 0.00 64.05 61.25 1fny n THR 128 Cb 0.48 0.86 -0.15 0.00 -2.10 0.00 0.00 70.33 69.42 1fny n THR 128 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1fny s PHE 129 N -1.94 -0.15 -0.40 4.78 2.19 -1.24 -4.45 117.98 116.78 1fny s PHE 129 Ca 0.34 0.52 -0.29 0.00 0.33 0.00 0.00 56.93 57.83 1fny s PHE 129 Cb 0.20 -0.20 0.01 0.00 -1.31 0.00 0.00 43.02 41.73 1fny s PHE 129 CO 0.31 -0.22 1.34 0.45 1.83 0.00 0.00 175.22 178.94 1fny s SER 130 N 1.77 6.46 -0.73 6.13 0.15 -1.26 -4.98 113.70 121.24 1fny s SER 130 Ca -0.02 0.86 -0.20 0.00 0.70 0.00 0.00 55.95 57.29 1fny s SER 130 Cb -0.12 -2.54 0.11 0.00 -1.71 0.00 0.00 66.02 61.76 1fny s SER 130 CO -0.06 -1.32 0.91 0.20 1.20 0.00 0.00 173.24 174.17 1fny s ASN 131 N 3.43 6.35 0.65 5.45 -0.87 -1.26 -4.90 114.94 123.79 1fny s ASN 131 Ca 0.58 -1.57 0.13 0.00 -1.57 0.00 0.00 52.86 50.43 1fny s ASN 131 Cb -0.13 -2.36 0.65 0.00 -0.02 0.00 0.00 41.25 39.39 1fny s ASN 131 CO 0.30 -1.16 1.35 1.23 -2.57 0.00 0.00 177.10 176.25 1fny h GLY 132 N 10.34 0.00 2.00 0.66 0.00 -1.89 0.81 103.07 115.00 1fny h GLY 132 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1fny h GLY 132 CO 1.10 0.00 0.00 -0.55 0.00 0.00 0.00 176.54 177.09 1fny h ASP 133 N 0.00 0.00 0.00 0.19 3.32 -1.97 -3.40 116.42 114.56 1fny h ASP 133 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1fny h ASP 133 Cb 1.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.22 1fny h ASP 133 CO -0.00 0.00 0.00 -2.67 -1.72 0.00 0.00 179.24 174.85 1fny n TRP 134 N -2.51 0.00 -4.17 4.55 2.14 0.44 -5.11 117.44 112.77 1fny n TRP 134 Ca 0.05 0.00 -0.32 0.00 2.07 0.00 0.00 57.50 59.30 1fny n TRP 134 Cb 0.44 0.04 -0.08 0.00 -0.81 0.00 0.00 31.31 30.89 1fny n TRP 134 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1fny s ASP 135 N 0.00 5.31 0.00 -0.67 -0.00 0.25 -4.61 116.67 116.95 1fny s ASP 135 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 52.55 52.55 1fny s ASP 135 Cb 0.00 -1.41 0.00 0.00 -0.00 0.00 0.00 42.92 41.51 1fny s ASP 135 CO 0.00 0.24 0.00 -0.81 -0.00 0.00 0.00 175.17 174.60 1fny n PRO 136 N 1.05 0.00 -3.66 8.23 -0.04 -1.26 -4.42 135.00 134.90 1fny n PRO 136 Ca -0.13 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.26 1fny n PRO 136 Cb 0.52 -0.01 -0.08 0.00 -0.04 0.00 0.00 33.50 33.90 1fny n PRO 136 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1fny s LYS 137 N 0.00 0.51 0.00 0.54 -0.14 -1.26 -4.85 119.74 114.55 1fny s LYS 137 Ca 0.00 1.10 0.00 0.00 -1.36 0.00 0.00 55.97 55.71 1fny s LYS 137 Cb 0.00 0.27 0.00 0.00 -1.68 0.00 0.00 37.83 36.42 1fny s LYS 137 CO 0.00 -0.18 0.00 0.41 -0.76 0.00 0.00 175.35 174.82 1fny n GLY 138 N 4.74 -1.63 3.76 -3.33 0.00 -1.26 -4.90 105.19 102.57 1fny n GLY 138 Ca -0.17 -1.51 -0.37 0.00 0.00 0.00 0.00 46.02 43.96 1fny n GLY 138 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fny s ARG 139 N -1.54 3.34 0.20 1.61 0.52 -1.26 -4.49 118.95 117.34 1fny s ARG 139 Ca 0.00 1.92 -0.23 0.00 -0.52 0.00 0.00 55.73 56.90 1fny s ARG 139 Cb 0.00 -2.21 0.05 0.00 0.52 0.00 0.00 34.95 33.31 1fny s ARG 139 CO 0.00 -0.93 0.73 -3.38 0.02 0.00 0.00 175.30 171.74 1fny s HIS 140 N -1.50 -0.30 0.07 -0.53 -3.43 -0.73 -1.46 115.29 107.41 1fny s HIS 140 Ca 0.70 -0.04 -0.06 0.00 -0.80 0.00 0.00 55.06 54.86 1fny s HIS 140 Cb -0.32 0.64 -0.05 0.00 -1.43 0.00 0.00 32.58 31.42 1fny s HIS 140 CO 0.38 -1.01 0.33 -0.51 -2.00 0.00 0.00 174.74 171.92 1fny s LEU 141 N -2.84 4.33 0.03 5.38 1.43 0.04 -1.54 118.68 125.51 1fny s LEU 141 Ca 0.08 0.60 -0.09 0.00 -1.03 0.00 0.00 54.13 53.69 1fny s LEU 141 Cb -0.03 -2.95 0.00 0.00 0.03 0.00 0.00 46.19 43.24 1fny s LEU 141 CO -0.01 0.17 0.19 -0.83 0.23 0.00 0.00 176.35 176.10 1fny s GLY 142 N -1.99 0.03 -0.14 -3.19 0.00 -0.06 -1.69 107.32 100.28 1fny s GLY 142 Ca 0.33 -0.23 0.02 0.00 0.00 0.00 0.00 44.72 44.84 1fny s GLY 142 CO 0.20 -0.40 -0.19 -0.42 0.00 0.00 0.00 173.10 172.29 1fny s ILE 143 N -2.28 2.36 -0.03 0.90 1.01 -0.92 -0.21 121.20 122.03 1fny s ILE 143 Ca -0.07 -0.88 0.07 0.00 0.00 0.00 0.00 60.65 59.76 1fny s ILE 143 Cb -0.02 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.47 1fny s ILE 143 CO -0.02 0.54 -0.23 0.20 0.00 0.00 0.00 174.94 175.42 1fny s ASN 144 N 0.73 2.69 -0.23 3.58 0.02 0.35 -1.02 114.94 121.05 1fny s ASN 144 Ca -0.08 -0.42 -0.02 0.00 -1.02 0.00 0.00 52.86 51.32 1fny s ASN 144 Cb -0.16 -0.41 0.07 0.00 0.02 0.00 0.00 41.25 40.78 1fny s ASN 144 CO 0.01 0.26 0.03 -0.69 0.02 0.00 0.00 177.10 176.73 1fny s VAL 145 N -0.43 0.83 0.00 1.60 1.01 -1.26 -0.90 120.40 121.26 1fny s VAL 145 Ca 0.06 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1fny s VAL 145 Cb -0.10 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.91 1fny s VAL 145 CO 0.00 -0.31 0.00 0.59 0.00 0.00 0.00 175.10 175.38 1fny n ASN 146 N 4.91 0.00 -3.64 3.32 3.02 0.05 -4.93 115.26 117.99 1fny n ASN 146 Ca -0.08 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.37 1fny n ASN 146 Cb 0.45 -1.75 -0.04 0.00 -0.61 0.00 0.00 39.78 37.83 1fny n ASN 146 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1fny s SER 147 N -2.30 -0.25 0.32 6.41 0.15 -1.26 -4.93 113.70 111.84 1fny s SER 147 Ca 0.00 -0.33 0.26 0.00 0.70 0.00 0.00 55.95 56.58 1fny s SER 147 Cb 0.00 0.49 1.03 0.00 -1.71 0.00 0.00 66.02 65.83 1fny s SER 147 CO 0.00 -0.87 1.77 -0.29 1.20 0.00 0.00 173.24 175.05 1fny h ILE 148 N 2.34 0.00 -3.48 6.45 6.09 -1.94 -3.41 117.51 123.55 1fny h ILE 148 Ca -0.34 -0.33 -0.60 0.00 -1.37 0.00 0.00 64.86 62.22 1fny h ILE 148 Cb 1.26 1.16 -0.10 0.00 0.47 0.00 0.00 36.82 39.60 1fny h ILE 148 CO 0.46 0.00 0.45 -0.70 -3.07 0.00 0.00 178.15 175.29 1fny s GLU 149 N -3.37 3.84 0.47 2.19 2.12 -1.26 -4.94 118.70 117.75 1fny s GLU 149 Ca 0.04 0.48 -0.23 0.00 0.36 0.00 0.00 54.97 55.62 1fny s GLU 149 Cb 0.09 -3.78 -0.07 0.00 0.26 0.00 0.00 34.13 30.63 1fny s GLU 149 CO 0.45 -0.83 1.23 -1.12 -0.54 0.00 0.00 175.26 174.45 1fny s SER 150 N 1.78 6.02 0.50 -1.70 0.01 -1.26 -4.68 113.70 114.37 1fny s SER 150 Ca 0.34 2.46 0.31 0.00 1.31 0.00 0.00 55.95 60.37 1fny s SER 150 Cb -0.13 -2.62 1.12 0.00 0.21 0.00 0.00 66.02 64.61 1fny s SER 150 CO 0.16 -1.03 1.89 0.16 0.41 0.00 0.00 173.24 174.83 1fny h ILE 151 N 1.90 0.00 -1.84 1.44 3.07 -1.45 -3.45 117.51 117.18 1fny h ILE 151 Ca -0.50 -0.59 -0.01 0.00 1.55 0.00 0.00 64.86 65.31 1fny h ILE 151 Cb 1.26 1.57 -0.21 0.00 -0.27 0.00 0.00 36.82 39.17 1fny h ILE 151 CO 0.60 0.00 0.30 -0.75 -1.05 0.00 0.00 178.15 177.25 1fny s LYS 152 N -3.54 0.83 0.04 0.16 2.20 -1.24 -5.04 119.74 113.15 1fny s LYS 152 Ca 0.03 0.43 -0.02 0.00 -0.36 0.00 0.00 55.97 56.05 1fny s LYS 152 Cb 0.08 0.40 -0.03 0.00 -1.51 0.00 0.00 37.83 36.77 1fny s LYS 152 CO 0.56 -0.21 -0.00 0.95 -0.36 0.00 0.00 175.35 176.28 1fny s THR 153 N -0.67 0.18 0.01 3.43 -4.23 -1.26 -2.17 115.64 110.92 1fny s THR 153 Ca -0.05 -1.49 -0.00 0.00 -1.18 0.00 0.00 61.69 58.97 1fny s THR 153 Cb -0.02 -1.16 -0.01 0.00 1.34 0.00 0.00 72.50 72.65 1fny s THR 153 CO 0.04 -0.82 -0.01 0.68 -0.54 0.00 0.00 174.62 173.97 1fny s VAL 154 N -3.22 0.05 0.51 2.29 -7.23 -0.68 -4.97 120.40 107.14 1fny s VAL 154 Ca 0.00 -0.40 -0.23 0.00 -1.81 0.00 0.00 61.98 59.54 1fny s VAL 154 Cb 0.03 -0.12 -0.06 0.00 0.56 0.00 0.00 36.38 36.78 1fny s VAL 154 CO -0.07 -0.22 1.40 -2.84 -0.31 0.00 0.00 175.10 173.05 1fny s PRO 155 N -0.65 3.36 -0.06 4.82 0.02 -1.26 -0.78 135.00 140.45 1fny s PRO 155 Ca -0.07 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.29 1fny s PRO 155 Cb -0.04 -2.43 0.02 0.00 0.02 0.00 0.00 34.50 32.07 1fny s PRO 155 CO -0.00 -1.05 -0.05 -0.46 -0.33 0.00 0.00 177.00 175.11 1fny s TRP 156 N -1.25 0.90 -0.80 6.54 -0.00 -0.54 -4.66 118.94 119.13 1fny s TRP 156 Ca 0.67 -0.30 -0.16 0.00 -0.00 0.00 0.00 56.10 56.31 1fny s TRP 156 Cb -0.42 -0.81 0.17 0.00 -0.00 0.00 0.00 33.47 32.41 1fny s TRP 156 CO 0.52 -0.27 0.83 -0.80 -0.00 0.00 0.00 176.95 177.23 1fny s ASN 157 N 1.24 6.59 0.33 5.86 0.01 -1.26 -4.44 114.94 123.27 1fny s ASN 157 Ca -0.06 -2.25 -0.28 0.00 -0.71 0.00 0.00 52.86 49.57 1fny s ASN 157 Cb -0.14 -2.28 -0.09 0.00 0.41 0.00 0.00 41.25 39.15 1fny s ASN 157 CO -0.02 -0.81 1.19 0.86 -1.51 0.00 0.00 177.10 176.81 1fny s TRP 158 N 1.35 3.25 -0.21 2.20 -0.00 -1.26 -5.03 118.94 119.24 1fny s TRP 158 Ca 0.20 1.56 0.01 0.00 -0.00 0.00 0.00 56.10 57.87 1fny s TRP 158 Cb -0.12 -3.45 0.03 0.00 -0.00 0.00 0.00 33.47 29.93 1fny s TRP 158 CO -0.06 -1.21 -0.15 0.99 -0.00 0.00 0.00 176.95 176.52 1fny s THR 159 N -1.23 2.19 -0.09 5.86 2.01 -1.26 -5.09 115.64 118.03 1fny s THR 159 Ca 0.50 -1.18 -0.38 0.00 0.31 0.00 0.00 61.69 60.93 1fny s THR 159 Cb -0.34 -2.07 -0.16 0.00 0.01 0.00 0.00 72.50 69.94 1fny s THR 159 CO 0.44 0.31 1.55 -3.20 -0.69 0.00 0.00 174.62 173.03 1fny n ASN 160 N 4.56 2.04 0.00 3.53 4.05 -1.26 -2.25 115.26 125.93 1fny n ASN 160 Ca -0.18 1.09 0.00 0.00 0.45 0.00 0.00 54.58 55.94 1fny n ASN 160 Cb 0.47 -1.17 0.00 0.00 1.23 0.00 0.00 39.78 40.31 1fny n ASN 160 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1fny n GLY 161 N 3.37 0.05 3.78 8.20 0.00 -0.34 -4.97 105.19 115.29 1fny n GLY 161 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 1fny n GLY 161 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1fny s GLU 162 N -1.44 4.56 -0.03 1.61 2.56 -0.95 -4.87 118.70 120.13 1fny s GLU 162 Ca 0.00 1.15 -0.30 0.00 0.00 0.00 0.00 54.97 55.82 1fny s GLU 162 Cb 0.00 -3.25 -0.05 0.00 2.00 0.00 0.00 34.13 32.84 1fny s GLU 162 CO 0.00 0.57 1.34 0.08 -0.56 0.00 0.00 175.26 176.68 1fny s VAL 163 N -1.16 3.91 -0.10 3.70 1.01 -1.26 -4.50 120.40 122.00 1fny s VAL 163 Ca 0.36 1.26 -0.01 0.00 0.00 0.00 0.00 61.98 63.60 1fny s VAL 163 Cb -0.23 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 1fny s VAL 163 CO 0.26 -0.01 -0.06 0.00 0.00 0.00 0.00 175.10 175.30 1fny s ALA 164 N 2.43 3.01 -0.21 5.51 0.00 0.00 -4.24 121.76 128.26 1fny s ALA 164 Ca 0.61 -0.86 -0.08 0.00 0.00 0.00 0.00 51.96 51.63 1fny s ALA 164 Cb -0.29 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.45 1fny s ALA 164 CO 0.24 0.47 0.08 -0.80 0.00 0.00 0.00 175.76 175.75 1fny s ASN 165 N -0.45 5.61 0.00 0.00 0.02 0.11 -1.03 114.94 119.20 1fny s ASN 165 Ca 0.07 0.02 0.06 0.00 -1.02 0.00 0.00 52.86 51.99 1fny s ASN 165 Cb -0.12 -1.98 -0.03 0.00 0.02 0.00 0.00 41.25 39.14 1fny s ASN 165 CO 0.02 0.11 -0.18 -0.69 0.02 0.00 0.00 177.10 176.37 1fny s VAL 166 N 0.78 2.74 -0.04 1.60 1.01 0.11 -0.93 120.40 125.68 1fny s VAL 166 Ca 0.04 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 61.00 1fny s VAL 166 Cb -0.13 -2.10 0.02 0.00 0.00 0.00 0.00 36.38 34.18 1fny s VAL 166 CO 0.02 0.46 -0.03 0.12 0.00 0.00 0.00 175.10 175.67 1fny s PHE 167 N -0.81 0.58 -0.05 5.22 5.36 -0.63 -1.82 117.98 125.83 1fny s PHE 167 Ca 0.13 -0.13 0.03 0.00 -0.96 0.00 0.00 56.93 56.00 1fny s PHE 167 Cb -0.10 -0.57 0.01 0.00 -0.34 0.00 0.00 43.02 42.01 1fny s PHE 167 CO 0.03 -0.17 -0.13 0.42 -1.46 0.00 0.00 175.22 173.91 1fny s ILE 168 N 0.99 1.13 0.04 3.12 1.01 -0.08 -0.69 121.20 126.72 1fny s ILE 168 Ca -0.10 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.06 1fny s ILE 168 Cb -0.14 -1.01 -0.02 0.00 0.01 0.00 0.00 42.46 41.30 1fny s ILE 168 CO -0.01 0.34 -0.09 -0.94 0.00 0.00 0.00 174.94 174.25 1fny s SER 169 N 0.35 1.02 -0.13 3.58 1.04 -0.05 -0.99 113.70 118.53 1fny s SER 169 Ca -0.08 -0.52 -0.01 0.00 0.48 0.00 0.00 55.95 55.82 1fny s SER 169 Cb -0.13 0.00 0.04 0.00 0.10 0.00 0.00 66.02 66.04 1fny s SER 169 CO 0.02 -0.15 -0.02 -0.47 0.98 0.00 0.00 173.24 173.61 1fny s TYR 170 N -1.23 1.18 -0.44 5.02 5.04 0.16 -0.74 117.35 126.35 1fny s TYR 170 Ca -0.07 -0.66 -0.15 0.00 -2.44 0.00 0.00 57.07 53.75 1fny s TYR 170 Cb -0.09 -1.07 0.04 0.00 0.35 0.00 0.00 41.96 41.19 1fny s TYR 170 CO 0.01 -0.50 0.35 -2.00 -1.34 0.00 0.00 175.55 172.07 1fny s GLU 171 N 1.81 2.98 0.24 4.97 2.12 -0.51 -2.23 118.70 128.07 1fny s GLU 171 Ca 0.03 -1.14 -0.07 0.00 0.36 0.00 0.00 54.97 54.15 1fny s GLU 171 Cb -0.14 -4.04 0.24 0.00 0.26 0.00 0.00 34.13 30.45 1fny s GLU 171 CO -0.07 -0.87 1.90 0.00 -0.54 0.00 0.00 175.26 175.68 1fny h ALA 172 N 8.69 1.17 -0.43 6.30 0.00 -1.88 0.55 119.26 133.66 1fny h ALA 172 Ca -0.28 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.68 1fny h ALA 172 Cb 1.12 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1fny h ALA 172 CO 0.79 0.51 0.30 0.66 0.00 0.00 0.00 179.25 181.51 1fny h SER 173 N 1.20 0.13 -0.07 0.00 4.64 -1.93 -1.95 113.55 115.56 1fny h SER 173 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1fny h SER 173 Cb -0.09 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1fny h SER 173 CO -0.09 0.08 0.00 0.35 -0.87 0.00 0.00 176.83 176.30 1fny n THR 174 N -4.45 0.33 -3.23 2.95 -2.24 -1.09 -4.98 114.28 101.58 1fny n THR 174 Ca 0.07 -0.66 -0.23 0.00 -2.27 0.00 0.00 64.05 60.96 1fny n THR 174 Cb 0.40 0.93 0.01 0.00 -2.10 0.00 0.00 70.33 69.57 1fny n THR 174 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1fny n LYS 175 N 0.29 -3.82 -3.52 -0.78 5.02 0.11 -4.88 118.16 110.59 1fny n LYS 175 Ca 0.05 0.61 -0.40 0.00 -2.02 0.00 0.00 58.31 56.55 1fny n LYS 175 Cb 0.23 -5.36 -0.10 0.00 -0.02 0.00 0.00 35.03 29.78 1fny n LYS 175 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1fny s SER 176 N -2.69 6.08 -0.25 4.39 0.15 -0.77 -0.58 113.70 120.03 1fny s SER 176 Ca 0.36 -0.25 -0.08 0.00 0.70 0.00 0.00 55.95 56.67 1fny s SER 176 Cb -0.18 -2.15 -0.04 0.00 -1.71 0.00 0.00 66.02 61.95 1fny s SER 176 CO 0.44 -0.20 0.11 -0.22 1.20 0.00 0.00 173.24 174.57 1fny s LEU 177 N 1.80 3.65 -0.04 3.45 2.96 -0.26 -1.42 118.68 128.81 1fny s LEU 177 Ca 0.08 -0.12 0.06 0.00 -0.22 0.00 0.00 54.13 53.93 1fny s LEU 177 Cb -0.17 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.52 1fny s LEU 177 CO 0.11 -0.03 -0.23 -0.89 -1.32 0.00 0.00 176.35 173.99 1fny s THR 178 N 1.58 2.24 -0.03 3.68 2.01 0.09 -1.62 115.64 123.58 1fny s THR 178 Ca 0.06 -1.02 0.01 0.00 0.31 0.00 0.00 61.69 61.06 1fny s THR 178 Cb -0.15 -1.81 0.01 0.00 0.01 0.00 0.00 72.50 70.56 1fny s THR 178 CO 0.06 0.58 -0.06 0.00 -0.69 0.00 0.00 174.62 174.51 1fny s ALA 179 N -0.42 0.67 0.06 7.40 0.00 -0.09 -0.87 121.76 128.51 1fny s ALA 179 Ca 0.04 -0.13 0.03 0.00 0.00 0.00 0.00 51.96 51.90 1fny s ALA 179 Cb -0.12 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 1fny s ALA 179 CO 0.01 0.05 -0.10 -1.54 0.00 0.00 0.00 175.76 174.18 1fny s SER 180 N 0.58 1.14 -0.04 0.00 1.04 0.13 -0.80 113.70 115.75 1fny s SER 180 Ca -0.08 -0.61 0.01 0.00 0.48 0.00 0.00 55.95 55.75 1fny s SER 180 Cb -0.11 0.01 0.01 0.00 0.10 0.00 0.00 66.02 66.04 1fny s SER 180 CO 0.00 -0.19 -0.06 -0.22 0.98 0.00 0.00 173.24 173.76 1fny s LEU 181 N -1.77 1.52 0.03 2.42 0.20 -0.27 -1.61 118.68 119.20 1fny s LEU 181 Ca -0.05 -0.14 0.03 0.00 0.69 0.00 0.00 54.13 54.66 1fny s LEU 181 Cb -0.09 -0.46 -0.02 0.00 -0.43 0.00 0.00 46.19 45.20 1fny s LEU 181 CO 0.01 -0.01 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.27 1fny s VAL 182 N 0.62 0.71 -0.55 1.68 1.01 -0.10 -0.41 120.40 123.36 1fny s VAL 182 Ca -0.09 -0.80 -0.06 0.00 0.00 0.00 0.00 61.98 61.04 1fny s VAL 182 Cb -0.12 -0.68 0.14 0.00 0.00 0.00 0.00 36.38 35.73 1fny s VAL 182 CO 0.00 -0.09 0.39 -0.31 0.00 0.00 0.00 175.10 175.09 1fny s TYR 183 N -0.82 3.49 0.30 5.22 2.02 -0.72 0.09 117.35 126.94 1fny s TYR 183 Ca -0.02 -2.29 0.05 0.00 -0.37 0.00 0.00 57.07 54.44 1fny s TYR 183 Cb -0.07 -3.37 0.77 0.00 -0.40 0.00 0.00 41.96 38.89 1fny s TYR 183 CO 0.00 -0.94 1.71 -1.35 -1.57 0.00 0.00 175.55 173.40 1fny h PRO 184 N 7.82 0.45 0.00 -1.71 0.11 -1.85 0.23 132.00 137.04 1fny h PRO 184 Ca -0.09 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.89 1fny h PRO 184 Cb 1.02 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 1fny h PRO 184 CO 0.76 0.30 -0.45 0.66 -0.21 0.00 0.00 178.00 179.06 1fny h SER 185 N 0.46 0.00 0.02 -2.05 4.64 -1.94 -3.24 113.55 111.45 1fny h SER 185 Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 1fny h SER 185 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1fny h SER 185 CO -0.51 0.45 -1.26 0.18 -0.87 0.00 0.00 176.83 174.82 1fny n LEU 186 N -3.59 0.71 -2.15 5.97 4.77 -0.49 -4.99 117.00 117.24 1fny n LEU 186 Ca -0.00 -0.34 -0.20 0.00 -0.03 0.00 0.00 56.01 55.43 1fny n LEU 186 Cb 0.55 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.61 1fny n LEU 186 CO 0.38 0.17 -0.25 -0.62 -1.33 0.00 0.00 177.39 175.75 1fny n GLU 187 N -1.72 -1.57 -3.95 3.23 1.02 0.69 -4.99 120.64 113.36 1fny n GLU 187 Ca 0.02 1.02 -0.29 0.00 -0.02 0.00 0.00 57.16 57.89 1fny n GLU 187 Cb 0.40 -5.59 -0.04 0.00 -0.02 0.00 0.00 31.44 26.19 1fny n GLU 187 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1fny s THR 188 N -2.95 5.25 -0.04 2.62 -4.23 -1.22 -4.97 115.64 110.10 1fny s THR 188 Ca 0.00 -0.55 -0.16 0.00 -1.18 0.00 0.00 61.69 59.80 1fny s THR 188 Cb 0.00 -3.61 0.03 0.00 1.34 0.00 0.00 72.50 70.26 1fny s THR 188 CO 0.00 0.05 0.35 -0.94 -0.54 0.00 0.00 174.62 173.54 1fny s SER 189 N -2.77 -0.27 0.03 3.99 1.04 -1.26 -1.76 113.70 112.70 1fny s SER 189 Ca 0.34 0.26 0.01 0.00 0.48 0.00 0.00 55.95 57.04 1fny s SER 189 Cb -0.12 0.41 -0.02 0.00 0.10 0.00 0.00 66.02 66.39 1fny s SER 189 CO 0.27 -0.41 -0.05 -0.36 0.98 0.00 0.00 173.24 173.68 1fny s PHE 190 N -1.05 0.42 -0.01 5.02 0.40 0.45 -5.00 117.98 118.22 1fny s PHE 190 Ca -0.11 -0.52 -0.16 0.00 -0.60 0.00 0.00 56.93 55.54 1fny s PHE 190 Cb -0.04 -0.27 0.03 0.00 0.51 0.00 0.00 43.02 43.24 1fny s PHE 190 CO 0.04 -0.15 0.33 -1.50 0.70 0.00 0.00 175.22 174.65 1fny s ILE 191 N -1.43 0.06 0.00 0.64 2.07 -1.26 -1.11 121.20 120.16 1fny s ILE 191 Ca -0.14 -0.48 -0.07 0.00 -1.41 0.00 0.00 60.65 58.56 1fny s ILE 191 Cb -0.10 -0.70 0.00 0.00 0.13 0.00 0.00 42.46 41.79 1fny s ILE 191 CO -0.00 -0.26 0.13 -0.51 -1.91 0.00 0.00 174.94 172.38 1fny s ILE 192 N -1.55 0.08 -0.02 2.00 2.07 0.02 -4.91 121.20 118.89 1fny s ILE 192 Ca -0.12 -0.67 -0.07 0.00 -1.41 0.00 0.00 60.65 58.38 1fny s ILE 192 Cb -0.04 -0.42 0.01 0.00 0.13 0.00 0.00 42.46 42.14 1fny s ILE 192 CO 0.03 -0.37 0.16 -0.62 -1.91 0.00 0.00 174.94 172.24 1fny s ASP 193 N -1.32 -0.06 -0.00 4.50 -1.08 -1.26 -0.92 116.67 116.53 1fny s ASP 193 Ca -0.14 0.02 -0.29 0.00 -0.52 0.00 0.00 52.55 51.61 1fny s ASP 193 Cb -0.07 0.27 0.07 0.00 -1.46 0.00 0.00 42.92 41.73 1fny s ASP 193 CO 0.01 -0.26 0.66 0.00 0.52 0.00 0.00 175.17 176.10 1fny s ALA 194 N -0.84 -1.72 -0.05 3.66 0.00 -0.64 -5.01 121.76 117.16 1fny s ALA 194 Ca -0.09 1.12 -0.29 0.00 0.00 0.00 0.00 51.96 52.70 1fny s ALA 194 Cb -0.05 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.24 1fny s ALA 194 CO 0.01 -0.46 0.96 0.42 0.00 0.00 0.00 175.76 176.69 1fny s ILE 195 N -1.76 4.86 -0.07 0.00 1.01 -1.26 -1.10 121.20 122.89 1fny s ILE 195 Ca -0.08 1.98 -0.01 0.00 0.00 0.00 0.00 60.65 62.53 1fny s ILE 195 Cb -0.00 -4.29 0.03 0.00 0.01 0.00 0.00 42.46 38.21 1fny s ILE 195 CO 0.05 0.11 0.01 -0.69 0.00 0.00 0.00 174.94 174.42 1fny s VAL 196 N 1.39 0.28 -1.02 2.92 1.01 0.26 -4.94 120.40 120.29 1fny s VAL 196 Ca 0.49 0.18 -0.14 0.00 0.00 0.00 0.00 61.98 62.51 1fny s VAL 196 Cb -0.20 -0.46 0.19 0.00 0.00 0.00 0.00 36.38 35.92 1fny s VAL 196 CO 0.23 0.24 1.12 -0.62 0.00 0.00 0.00 175.10 176.08 1fny s ASP 197 N 2.01 6.92 0.47 3.32 3.68 -1.26 -4.61 116.67 127.20 1fny s ASP 197 Ca 0.05 -2.76 0.15 0.00 2.13 0.00 0.00 52.55 52.11 1fny s ASP 197 Cb -0.12 -2.32 1.12 0.00 -1.45 0.00 0.00 42.92 40.15 1fny s ASP 197 CO -0.05 -0.71 2.04 -0.37 0.13 0.00 0.00 175.17 176.21 1fny h VAL 198 N 4.84 0.94 -0.08 1.11 -1.51 -1.97 -1.75 116.25 117.83 1fny h VAL 198 Ca 0.19 -0.09 -0.04 0.00 -1.23 0.00 0.00 66.70 65.53 1fny h VAL 198 Cb 0.96 0.65 -0.01 0.00 -2.13 0.00 0.00 31.29 30.75 1fny h VAL 198 CO 1.04 0.05 -0.14 0.50 -1.23 0.00 0.00 177.57 177.79 1fny h LYS 199 N 0.27 0.12 -0.01 5.19 3.64 -1.89 0.43 116.57 124.31 1fny h LYS 199 Ca 0.18 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1fny h LYS 199 Cb 0.36 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1fny h LYS 199 CO -0.04 0.27 -0.47 -0.89 -2.27 0.00 0.00 179.45 176.05 1fny n ILE 200 N -4.31 0.00 -0.10 2.00 2.08 -0.70 -4.55 119.36 113.78 1fny n ILE 200 Ca -0.02 -0.18 -0.21 0.00 0.56 0.00 0.00 62.75 62.90 1fny n ILE 200 Cb 0.24 0.95 -0.07 0.00 -0.75 0.00 0.00 39.64 40.01 1fny n ILE 200 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 1fny n VAL 201 N -0.41 1.08 -3.91 1.39 0.31 -0.90 -5.06 118.33 110.82 1fny n VAL 201 Ca 0.09 -0.28 -0.21 0.00 -0.01 0.00 0.00 64.34 63.94 1fny n VAL 201 Cb 0.42 -1.75 -0.02 0.00 -0.91 0.00 0.00 33.84 31.57 1fny n VAL 201 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1fny s LEU 202 N -7.04 4.11 0.93 7.52 1.43 0.09 -4.72 118.68 121.01 1fny s LEU 202 Ca -0.27 -0.07 -0.14 0.00 -1.03 0.00 0.00 54.13 52.61 1fny s LEU 202 Cb 0.10 -2.70 0.15 0.00 0.03 0.00 0.00 46.19 43.78 1fny s LEU 202 CO 0.35 -0.14 1.20 -2.16 0.23 0.00 0.00 176.35 175.82 1fny s PRO 203 N -3.99 0.99 0.19 1.29 0.04 -1.26 -4.74 135.00 127.52 1fny s PRO 203 Ca 0.36 0.01 -0.12 0.00 0.04 0.00 0.00 61.00 61.29 1fny s PRO 203 Cb -0.09 -1.85 0.21 0.00 0.04 0.00 0.00 34.50 32.81 1fny s PRO 203 CO 0.28 -2.25 1.73 0.93 0.04 0.00 0.00 177.00 177.74 1fny h GLU 204 N -1.53 0.29 -5.92 4.56 5.08 -1.96 -3.42 114.58 111.69 1fny h GLU 204 Ca -0.47 -0.02 -0.67 0.00 -1.00 0.00 0.00 59.36 57.20 1fny h GLU 204 Cb 1.30 -0.07 -0.19 0.00 0.50 0.00 0.00 28.75 30.30 1fny h GLU 204 CO 0.54 0.19 -0.67 -1.58 -1.00 0.00 0.00 179.01 176.49 1fny s TRP 205 N -6.13 3.01 0.03 4.33 0.52 -1.26 -0.26 118.94 119.19 1fny s TRP 205 Ca -0.13 -0.01 -0.00 0.00 0.02 0.00 0.00 56.10 55.98 1fny s TRP 205 Cb 0.16 -1.78 -0.03 0.00 -1.15 0.00 0.00 33.47 30.67 1fny s TRP 205 CO 0.73 0.29 -0.03 0.14 0.02 0.00 0.00 176.95 178.10 1fny s VAL 206 N -0.57 0.17 0.28 4.03 -7.23 -0.67 -4.22 120.40 112.18 1fny s VAL 206 Ca 0.09 -1.19 0.06 0.00 -1.81 0.00 0.00 61.98 59.13 1fny s VAL 206 Cb -0.12 -0.66 -0.02 0.00 0.56 0.00 0.00 36.38 36.14 1fny s VAL 206 CO 0.02 -0.65 0.37 -0.13 -0.31 0.00 0.00 175.10 174.40 1fny s ARG 207 N -2.21 3.21 0.14 4.82 0.52 0.07 -1.42 118.95 124.08 1fny s ARG 207 Ca -0.09 -0.93 -0.16 0.00 -0.52 0.00 0.00 55.73 54.04 1fny s ARG 207 Cb -0.05 -2.79 0.03 0.00 0.52 0.00 0.00 34.95 32.66 1fny s ARG 207 CO -0.04 0.28 0.41 -0.59 0.02 0.00 0.00 175.30 175.38 1fny s PHE 208 N -2.09 -0.13 -1.86 -0.53 -0.12 -1.26 -1.70 117.98 110.29 1fny s PHE 208 Ca 0.38 -0.20 0.00 0.00 -0.05 0.00 0.00 56.93 57.06 1fny s PHE 208 Cb -0.09 0.26 0.00 0.00 -0.63 0.00 0.00 43.02 42.56 1fny s PHE 208 CO 0.29 -0.75 0.00 0.41 -0.05 0.00 0.00 175.22 175.12 1fny n GLY 209 N -0.25 -0.52 3.48 1.99 0.00 -0.70 -1.54 105.19 107.65 1fny n GLY 209 Ca -0.14 -0.54 -0.27 0.00 0.00 0.00 0.00 46.02 45.07 1fny n GLY 209 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fny s PHE 210 N -4.00 2.43 -0.04 1.61 0.08 -0.06 -0.86 117.98 117.13 1fny s PHE 210 Ca 0.00 -0.31 -0.10 0.00 0.12 0.00 0.00 56.93 56.64 1fny s PHE 210 Cb 0.00 -1.20 0.02 0.00 -0.57 0.00 0.00 43.02 41.27 1fny s PHE 210 CO 0.00 0.50 0.23 0.45 -0.10 0.00 0.00 175.22 176.30 1fny s SER 211 N -2.72 -0.15 -0.03 1.36 0.15 -0.50 -0.67 113.70 111.14 1fny s SER 211 Ca 0.22 0.17 -0.29 0.00 0.70 0.00 0.00 55.95 56.76 1fny s SER 211 Cb -0.08 0.36 0.07 0.00 -1.71 0.00 0.00 66.02 64.66 1fny s SER 211 CO 0.12 -0.27 0.64 0.00 1.20 0.00 0.00 173.24 174.93 1fny s ALA 212 N -0.72 -1.66 0.05 5.45 0.00 -0.35 -0.53 121.76 124.00 1fny s ALA 212 Ca -0.08 1.17 -0.01 0.00 0.00 0.00 0.00 51.96 53.03 1fny s ALA 212 Cb -0.04 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 1fny s ALA 212 CO 0.02 -0.39 -0.02 0.95 0.00 0.00 0.00 175.76 176.32 1fny s THR 213 N -1.38 0.20 0.38 0.00 -4.23 -1.01 -1.53 115.64 108.07 1fny s THR 213 Ca -0.10 -1.67 0.08 0.00 -1.18 0.00 0.00 61.69 58.81 1fny s THR 213 Cb -0.01 -1.37 -0.04 0.00 1.34 0.00 0.00 72.50 72.43 1fny s THR 213 CO 0.08 -0.92 0.22 0.42 -0.54 0.00 0.00 174.62 173.88 1fny s THR 214 N -3.63 2.76 0.92 3.99 -4.23 -0.77 -1.13 115.64 113.56 1fny s THR 214 Ca 0.04 -1.58 -0.11 0.00 -1.18 0.00 0.00 61.69 58.86 1fny s THR 214 Cb 0.06 -3.01 0.15 0.00 1.34 0.00 0.00 72.50 71.04 1fny s THR 214 CO -0.09 -0.08 1.12 -0.83 -0.54 0.00 0.00 174.62 174.19 1fny s GLY 215 N -3.94 1.66 -0.03 3.99 0.00 0.26 -4.13 107.32 105.12 1fny s GLY 215 Ca 0.41 0.39 -0.05 0.00 0.00 0.00 0.00 44.72 45.48 1fny s GLY 215 CO 0.24 0.84 0.71 -2.22 0.00 0.00 0.00 173.10 172.67 1fny h ILE 216 N -1.81 0.98 -3.85 0.90 1.08 -1.95 0.20 117.51 113.06 1fny h ILE 216 Ca -0.46 -2.63 -0.47 0.00 -0.39 0.00 0.00 64.86 60.90 1fny h ILE 216 Cb 1.27 2.69 -0.02 0.00 -3.07 0.00 0.00 36.82 37.69 1fny h ILE 216 CO 0.45 0.82 0.19 -1.81 -0.69 0.00 0.00 178.15 177.11 1fny s ASP 217 N -7.01 6.83 0.39 1.72 1.01 -1.26 -4.58 116.67 113.77 1fny s ASP 217 Ca -0.13 1.43 -0.27 0.00 0.71 0.00 0.00 52.55 54.30 1fny s ASP 217 Cb 0.06 -2.44 -0.11 0.00 1.01 0.00 0.00 42.92 41.45 1fny s ASP 217 CO 0.84 -0.27 1.30 1.17 0.21 0.00 0.00 175.17 178.42 1fny n LYS 218 N -0.48 2.07 0.00 8.23 3.00 -1.26 -2.52 118.16 127.21 1fny n LYS 218 Ca 0.05 0.73 0.00 0.00 -0.00 0.00 0.00 58.31 59.09 1fny n LYS 218 Cb 0.53 -2.40 0.00 0.00 0.00 0.00 0.00 35.03 33.17 1fny n LYS 218 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1fny n GLY 219 N 0.76 2.54 3.01 3.14 0.00 -1.26 -4.93 105.19 108.46 1fny n GLY 219 Ca 0.05 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1fny n GLY 219 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1fny n TYR 220 N 0.00 3.87 -4.28 1.61 4.01 -1.05 -4.74 117.16 116.58 1fny n TYR 220 Ca 0.00 -2.94 -0.16 0.00 -0.16 0.00 0.00 57.90 54.65 1fny n TYR 220 Cb 0.00 -2.52 -0.10 0.00 -0.31 0.00 0.00 39.34 36.41 1fny n TYR 220 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1fny s VAL 221 N 3.20 1.30 -0.09 -0.72 -7.23 -1.24 -0.57 120.40 115.04 1fny s VAL 221 Ca 0.48 -2.10 -0.31 0.00 -1.81 0.00 0.00 61.98 58.25 1fny s VAL 221 Cb 0.10 -1.95 0.12 0.00 0.56 0.00 0.00 36.38 35.21 1fny s VAL 221 CO -0.03 -0.67 1.01 0.00 -0.31 0.00 0.00 175.10 175.11 1fny s GLN 222 N -3.73 0.61 0.46 4.82 -2.07 -1.25 -4.43 119.66 114.07 1fny s GLN 222 Ca 0.19 -0.18 -0.04 0.00 -1.82 0.00 0.00 55.36 53.51 1fny s GLN 222 Cb 0.02 0.28 -0.03 0.00 -1.09 0.00 0.00 33.01 32.20 1fny s GLN 222 CO 0.03 -0.26 0.74 0.95 -1.32 0.00 0.00 175.29 175.43 1fny s THR 223 N -2.62 4.75 -0.41 3.63 -4.23 0.21 -4.80 115.64 112.17 1fny s THR 223 Ca 0.06 -0.02 0.04 0.00 -1.18 0.00 0.00 61.69 60.58 1fny s THR 223 Cb -0.01 -3.79 0.17 0.00 1.34 0.00 0.00 72.50 70.21 1fny s THR 223 CO -0.06 -0.71 0.34 0.20 -0.54 0.00 0.00 174.62 173.85 1fny s ASN 224 N -4.12 1.46 -0.20 3.99 0.01 -1.26 -3.82 114.94 110.99 1fny s ASN 224 Ca 0.47 -2.93 -0.06 0.00 -0.71 0.00 0.00 52.86 49.63 1fny s ASN 224 Cb -0.10 -0.35 -0.03 0.00 0.41 0.00 0.00 41.25 41.18 1fny s ASN 224 CO 0.42 -0.18 0.03 -1.81 -1.51 0.00 0.00 177.10 174.05 1fny s ASP 225 N 0.20 5.08 -0.13 -1.22 -0.00 -0.74 -1.79 116.67 118.07 1fny s ASP 225 Ca 0.31 -0.13 -0.10 0.00 -0.00 0.00 0.00 52.55 52.63 1fny s ASP 225 Cb 0.01 -1.88 -0.05 0.00 -0.00 0.00 0.00 42.92 41.01 1fny s ASP 225 CO -0.17 0.08 0.20 -0.69 -0.00 0.00 0.00 175.17 174.58 1fny s VAL 226 N 0.93 5.39 -0.11 -1.27 1.01 -0.08 -0.77 120.40 125.49 1fny s VAL 226 Ca 0.02 0.35 0.13 0.00 0.00 0.00 0.00 61.98 62.48 1fny s VAL 226 Cb -0.14 -3.50 -0.19 0.00 0.00 0.00 0.00 36.38 32.55 1fny s VAL 226 CO 0.02 0.53 0.13 0.18 0.00 0.00 0.00 175.10 175.96 1fny n LEU 227 N 2.63 0.00 -3.61 3.92 4.77 0.14 -0.79 117.00 124.07 1fny n LEU 227 Ca -0.17 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.71 1fny n LEU 227 Cb 0.53 0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.84 1fny n LEU 227 CO 0.35 0.25 0.31 -0.94 -1.33 0.00 0.00 177.39 176.03 1fny s SER 228 N -4.45 -0.37 -0.28 -1.43 1.04 -1.24 -3.96 113.70 103.01 1fny s SER 228 Ca -0.07 -0.28 -0.16 0.00 0.48 0.00 0.00 55.95 55.93 1fny s SER 228 Cb 0.06 0.57 0.10 0.00 0.10 0.00 0.00 66.02 66.85 1fny s SER 228 CO 0.59 -1.00 0.77 0.86 0.98 0.00 0.00 173.24 175.44 1fny s TRP 229 N -3.82 -0.93 0.09 5.02 -0.00 -0.49 -2.84 118.94 115.98 1fny s TRP 229 Ca 0.05 1.86 0.05 0.00 -0.00 0.00 0.00 56.10 58.06 1fny s TRP 229 Cb -0.01 0.56 -0.03 0.00 -0.00 0.00 0.00 33.47 33.99 1fny s TRP 229 CO -0.08 -0.46 -0.13 -1.54 -0.00 0.00 0.00 176.95 174.74 1fny s SER 230 N 1.56 1.66 -0.03 5.86 1.04 -0.05 -0.44 113.70 123.30 1fny s SER 230 Ca -0.10 -0.73 -0.17 0.00 0.48 0.00 0.00 55.95 55.43 1fny s SER 230 Cb -0.05 -0.03 0.03 0.00 0.10 0.00 0.00 66.02 66.07 1fny s SER 230 CO -0.19 -0.16 0.37 0.12 0.98 0.00 0.00 173.24 174.37 1fny s PHE 231 N -1.88 -0.27 -0.24 5.02 5.36 -0.32 -1.55 117.98 124.10 1fny s PHE 231 Ca 0.03 0.46 -0.11 0.00 -0.96 0.00 0.00 56.93 56.35 1fny s PHE 231 Cb -0.06 0.15 0.09 0.00 -0.34 0.00 0.00 43.02 42.85 1fny s PHE 231 CO 0.02 -0.41 0.55 -2.00 -1.46 0.00 0.00 175.22 171.91 1fny s GLU 232 N -1.19 0.51 0.08 10.12 2.12 -0.35 -1.02 118.70 128.98 1fny s GLU 232 Ca -0.12 1.11 0.03 0.00 0.36 0.00 0.00 54.97 56.35 1fny s GLU 232 Cb -0.04 0.28 -0.03 0.00 0.26 0.00 0.00 34.13 34.59 1fny s GLU 232 CO 0.05 -0.18 -0.09 -1.54 -0.54 0.00 0.00 175.26 172.96 1fny s SER 233 N 2.01 1.25 -0.14 -1.70 1.04 0.79 -0.70 113.70 116.26 1fny s SER 233 Ca -0.07 -0.78 -0.06 0.00 0.48 0.00 0.00 55.95 55.52 1fny s SER 233 Cb -0.09 0.03 0.07 0.00 0.10 0.00 0.00 66.02 66.13 1fny s SER 233 CO -0.16 -0.28 0.31 0.21 0.98 0.00 0.00 173.24 174.30 1fny s ASN 234 N -2.32 0.05 -0.36 7.02 2.47 -0.44 -2.62 114.94 118.75 1fny s ASN 234 Ca 0.03 0.70 -0.05 0.00 0.42 0.00 0.00 52.86 53.96 1fny s ASN 234 Cb -0.03 0.81 0.07 0.00 -1.45 0.00 0.00 41.25 40.64 1fny s ASN 234 CO -0.01 -0.22 0.13 -0.22 -3.72 0.00 0.00 177.10 173.06 1fny s LEU 235 N 2.20 4.60 0.38 3.21 2.96 0.66 -1.71 118.68 130.99 1fny s LEU 235 Ca -0.02 -1.47 -0.26 0.00 -0.22 0.00 0.00 54.13 52.16 1fny s LEU 235 Cb -0.11 -1.84 -0.11 0.00 0.50 0.00 0.00 46.19 44.62 1fny s LEU 235 CO -0.10 -0.40 1.22 -2.65 -1.32 0.00 0.00 176.35 173.10 1fny n PRO 236 N 4.72 1.87 0.00 0.98 -0.02 -1.26 -2.66 135.00 138.63 1fny n PRO 236 Ca -0.10 0.66 0.14 0.00 -2.02 0.00 0.00 63.50 62.19 1fny n PRO 236 Cb 0.43 -2.27 0.50 0.00 -0.02 0.00 0.00 33.50 32.15 1fny n PRO 236 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89