#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gan n SER 2 N 0.00 0.00 -2.93 0.00 2.88 -1.26 -5.05 113.62 107.25 1gan n SER 2 Ca 0.00 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.35 1gan n SER 2 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 1gan n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1gan n ALA 3 N 0.00 -1.96 0.00 -1.46 0.00 -1.26 -3.83 120.51 112.00 1gan n ALA 3 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1gan n ALA 3 Cb 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1gan n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gan n GLY 4 N 0.39 -0.74 3.75 0.00 0.00 -1.20 -4.11 105.19 103.28 1gan n GLY 4 Ca -0.04 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 1gan n GLY 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gan s VAL 5 N -3.00 3.23 0.00 1.61 1.01 -1.26 -4.76 120.40 117.24 1gan s VAL 5 Ca 0.00 1.09 0.05 0.00 0.00 0.00 0.00 61.98 63.12 1gan s VAL 5 Cb 0.00 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 1gan s VAL 5 CO 0.00 0.20 -0.16 0.00 0.00 0.00 0.00 175.10 175.15 1gan s ALA 6 N -0.40 1.31 -0.12 5.51 0.00 -1.26 -1.29 121.76 125.50 1gan s ALA 6 Ca 0.52 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.76 1gan s ALA 6 Cb -0.36 -0.30 0.02 0.00 0.00 0.00 0.00 23.12 22.48 1gan s ALA 6 CO 0.41 0.31 -0.13 0.08 0.00 0.00 0.00 175.76 176.43 1gan s VAL 7 N -0.49 1.39 0.26 0.00 1.01 0.38 -5.00 120.40 117.96 1gan s VAL 7 Ca 0.05 -0.55 0.08 0.00 0.00 0.00 0.00 61.98 61.57 1gan s VAL 7 Cb -0.07 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 1gan s VAL 7 CO -0.00 0.43 0.11 0.42 0.00 0.00 0.00 175.10 176.06 1gan s THR 8 N 1.33 4.03 -1.70 3.92 -4.23 -1.26 -1.33 115.64 116.41 1gan s THR 8 Ca 0.00 -1.61 0.00 0.00 -1.18 0.00 0.00 61.69 58.90 1gan s THR 8 Cb -0.14 -3.17 0.00 0.00 1.34 0.00 0.00 72.50 70.54 1gan s THR 8 CO -0.06 -0.36 0.00 0.59 -0.54 0.00 0.00 174.62 174.25 1gan n ASN 9 N -1.05 -5.56 -0.29 3.99 3.02 0.49 -4.86 115.26 111.01 1gan n ASN 9 Ca -0.07 0.02 -0.05 0.00 -0.03 0.00 0.00 54.58 54.45 1gan n ASN 9 Cb 0.58 -4.61 0.07 0.00 -0.61 0.00 0.00 39.78 35.20 1gan n ASN 9 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1gan h LEU 10 N 0.00 1.05 -3.77 3.41 5.85 -1.18 -3.47 115.31 117.20 1gan h LEU 10 Ca -0.46 -0.14 -0.55 0.00 0.84 0.00 0.00 57.88 57.57 1gan h LEU 10 Cb 1.34 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 42.10 1gan h LEU 10 CO 0.55 0.90 -1.00 0.59 -0.34 0.00 0.00 178.44 179.14 1gan n ASN 11 N -4.34 -4.49 -4.68 1.25 4.13 0.18 -4.90 115.26 102.42 1gan n ASN 11 Ca 0.07 -1.21 -0.43 0.00 1.68 0.00 0.00 54.58 54.70 1gan n ASN 11 Cb 0.15 -2.04 -0.02 0.00 -1.54 0.00 0.00 39.78 36.32 1gan n ASN 11 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1gan s LEU 12 N -7.02 4.22 0.19 3.41 2.96 0.65 -4.70 118.68 118.38 1gan s LEU 12 Ca 0.45 1.63 0.04 0.00 -0.22 0.00 0.00 54.13 56.02 1gan s LEU 12 Cb -0.23 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.88 1gan s LEU 12 CO 0.94 -0.58 0.30 -0.54 -1.32 0.00 0.00 176.35 175.16 1gan s LYS 13 N 2.49 3.40 0.28 1.98 1.02 -1.26 -0.16 119.74 127.49 1gan s LYS 13 Ca 0.51 -0.69 -0.30 0.00 0.02 0.00 0.00 55.97 55.51 1gan s LYS 13 Cb -0.20 -2.91 -0.12 0.00 -0.52 0.00 0.00 37.83 34.08 1gan s LYS 13 CO 0.17 0.48 1.55 -2.30 -0.92 0.00 0.00 175.35 174.33 1gan n PRO 14 N -0.88 2.54 0.00 -1.68 -0.02 -1.26 -1.22 135.00 132.48 1gan n PRO 14 Ca -0.08 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1gan n PRO 14 Cb 0.55 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 1gan n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gan n GLY 15 N 2.16 0.09 3.77 -1.23 0.00 0.87 -5.01 105.19 105.83 1gan n GLY 15 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1gan n GLY 15 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gan s HIS 16 N -2.00 2.41 0.11 1.61 3.76 -0.35 -4.92 115.29 115.90 1gan s HIS 16 Ca 0.00 -0.65 -0.12 0.00 -0.15 0.00 0.00 55.06 54.13 1gan s HIS 16 Cb 0.00 -1.93 0.02 0.00 1.11 0.00 0.00 32.58 31.78 1gan s HIS 16 CO 0.00 0.09 0.29 0.00 -0.85 0.00 0.00 174.74 174.27 1gan s VAL 18 N -3.84 3.09 -0.13 0.00 1.01 -0.63 -2.34 120.40 117.56 1gan s VAL 18 Ca 0.04 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1gan s VAL 18 Cb 0.03 -2.29 -0.00 0.00 0.00 0.00 0.00 36.38 34.13 1gan s VAL 18 CO -0.11 0.43 -0.18 -0.70 0.00 0.00 0.00 175.10 174.53 1gan s GLU 19 N -1.22 3.18 -0.08 2.72 2.12 0.39 -0.76 118.70 125.05 1gan s GLU 19 Ca 0.14 -0.79 0.02 0.00 0.36 0.00 0.00 54.97 54.71 1gan s GLU 19 Cb -0.11 -2.49 -0.02 0.00 0.26 0.00 0.00 34.13 31.77 1gan s GLU 19 CO 0.04 0.12 -0.15 0.42 -0.54 0.00 0.00 175.26 175.16 1gan s ILE 20 N 0.52 2.98 -0.04 -3.70 -1.09 -0.47 -1.67 121.20 117.74 1gan s ILE 20 Ca -0.12 -0.72 0.03 0.00 -2.23 0.00 0.00 60.65 57.61 1gan s ILE 20 Cb -0.16 -2.20 0.00 0.00 -1.58 0.00 0.00 42.46 38.52 1gan s ILE 20 CO 0.04 0.56 -0.12 -0.75 -1.23 0.00 0.00 174.94 173.45 1gan s LYS 21 N -0.22 1.32 0.02 2.79 2.20 -0.48 -1.93 119.74 123.44 1gan s LYS 21 Ca 0.01 -0.42 -0.02 0.00 -0.36 0.00 0.00 55.97 55.18 1gan s LYS 21 Cb -0.13 -1.18 0.01 0.00 -1.51 0.00 0.00 37.83 35.02 1gan s LYS 21 CO 0.03 0.14 0.09 0.41 -0.36 0.00 0.00 175.35 175.66 1gan n GLY 22 N 3.31 1.35 3.12 5.54 0.00 -0.60 -0.46 105.19 117.45 1gan n GLY 22 Ca -0.19 -0.96 -0.27 0.00 0.00 0.00 0.00 46.02 44.60 1gan n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gan s SER 23 N -1.21 2.30 -0.28 1.61 0.01 0.14 0.11 113.70 116.39 1gan s SER 23 Ca 0.02 -0.40 -0.24 0.00 1.31 0.00 0.00 55.95 56.64 1gan s SER 23 Cb -0.00 -0.94 -0.00 0.00 0.21 0.00 0.00 66.02 65.28 1gan s SER 23 CO 0.01 0.11 0.81 -0.63 0.41 0.00 0.00 173.24 173.95 1gan s ILE 24 N 0.38 4.80 0.54 1.44 1.01 0.25 -0.84 121.20 128.80 1gan s ILE 24 Ca -0.13 1.38 -0.20 0.00 0.00 0.00 0.00 60.65 61.70 1gan s ILE 24 Cb -0.15 -4.14 -0.07 0.00 0.01 0.00 0.00 42.46 38.11 1gan s ILE 24 CO 0.05 -0.17 1.00 -2.65 0.00 0.00 0.00 174.94 173.16 1gan n PRO 25 N 6.13 1.10 0.14 2.79 -0.02 -1.26 -0.39 135.00 143.50 1gan n PRO 25 Ca 0.05 0.41 0.10 0.00 -2.02 0.00 0.00 63.50 62.04 1gan n PRO 25 Cb 0.48 -2.15 0.52 0.00 -0.02 0.00 0.00 33.50 32.33 1gan n PRO 25 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1gan n PRO 26 N -0.61 0.13 -2.39 0.52 -0.04 -1.26 -2.12 135.00 129.24 1gan n PRO 26 Ca 0.12 0.59 -0.19 0.00 -0.04 0.00 0.00 63.50 63.97 1gan n PRO 26 Cb 0.45 -1.90 0.02 0.00 -0.04 0.00 0.00 33.50 32.02 1gan n PRO 26 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1gan n ASP 27 N -2.18 3.86 -4.62 3.54 5.75 -1.26 -4.55 116.55 117.09 1gan n ASP 27 Ca -0.01 -3.34 -0.42 0.00 -0.01 0.00 0.00 54.79 51.02 1gan n ASP 27 Cb 0.06 -0.43 -0.05 0.00 -1.03 0.00 0.00 41.12 39.67 1gan n ASP 27 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1gan h LYS 29 N 8.04 0.02 0.00 0.00 1.57 -1.92 -3.43 116.57 120.85 1gan h LYS 29 Ca -0.24 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1gan h LYS 29 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1gan h LYS 29 CO 0.87 0.68 0.00 0.41 -0.57 0.00 0.00 179.45 180.84 1gan n GLY 30 N 0.37 0.95 3.27 3.86 0.00 -1.26 -0.58 105.19 111.80 1gan n GLY 30 Ca -0.01 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 45.02 1gan n GLY 30 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1gan s PHE 31 N -2.00 0.50 0.03 1.61 -0.12 -0.35 -4.67 117.98 112.98 1gan s PHE 31 Ca 0.00 -0.87 -0.02 0.00 -0.05 0.00 0.00 56.93 55.99 1gan s PHE 31 Cb 0.00 -0.17 -0.02 0.00 -0.63 0.00 0.00 43.02 42.20 1gan s PHE 31 CO 0.00 -0.65 0.01 0.00 -0.05 0.00 0.00 175.22 174.54 1gan s ALA 32 N -3.98 0.15 -0.11 1.99 0.00 -0.43 -0.27 121.76 119.10 1gan s ALA 32 Ca 0.18 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.43 1gan s ALA 32 Cb 0.05 0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.39 1gan s ALA 32 CO -0.01 -0.26 -0.12 0.08 0.00 0.00 0.00 175.76 175.45 1gan s VAL 33 N -2.42 1.30 -0.09 0.00 1.01 -0.14 -1.09 120.40 118.97 1gan s VAL 33 Ca -0.07 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.43 1gan s VAL 33 Cb -0.03 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 1gan s VAL 33 CO -0.04 0.41 -0.16 0.20 0.00 0.00 0.00 175.10 175.51 1gan s ASN 34 N 1.27 3.84 -0.10 3.32 -0.87 0.11 -1.13 114.94 121.38 1gan s ASN 34 Ca -0.02 -0.32 0.02 0.00 -1.57 0.00 0.00 52.86 50.97 1gan s ASN 34 Cb -0.14 -1.24 0.01 0.00 -0.02 0.00 0.00 41.25 39.87 1gan s ASN 34 CO -0.05 0.24 -0.15 -0.76 -2.57 0.00 0.00 177.10 173.81 1gan s LEU 35 N -0.09 1.70 0.00 0.60 1.43 -0.51 -0.64 118.68 121.17 1gan s LEU 35 Ca -0.03 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1gan s LEU 35 Cb -0.14 -1.03 0.00 0.00 0.03 0.00 0.00 46.19 45.05 1gan s LEU 35 CO 0.04 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.25 1gan n GLY 36 N 4.08 1.50 0.10 -3.19 0.00 -0.81 0.52 105.19 107.40 1gan n GLY 36 Ca -0.20 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 1gan n GLY 36 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1gan n GLU 37 N 0.00 0.68 -0.90 1.61 1.02 -0.55 -1.60 120.64 120.89 1gan n GLU 37 Ca 0.00 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1gan n GLU 37 Cb 0.00 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 1gan n GLU 37 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1gan n ASP 38 N -2.80 0.00 0.08 1.62 5.68 -1.19 -4.52 116.55 115.43 1gan n ASP 38 Ca -0.32 -0.75 0.11 0.00 -0.50 0.00 0.00 54.79 53.33 1gan n ASP 38 Cb 1.14 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 41.57 1gan n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1gan n ALA 39 N -3.00 1.84 0.38 2.12 0.00 -1.26 -2.95 120.51 117.64 1gan n ALA 39 Ca 0.00 0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.50 1gan n ALA 39 Cb 0.00 -1.38 0.03 0.00 0.00 0.00 0.00 19.45 18.10 1gan n ALA 39 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1gan n SER 40 N -2.01 1.63 -3.71 0.00 7.64 -1.26 -4.89 113.62 111.02 1gan n SER 40 Ca 0.03 -1.32 -0.28 0.00 1.01 0.00 0.00 58.87 58.32 1gan n SER 40 Cb 0.26 0.09 -0.16 0.00 -1.01 0.00 0.00 64.21 63.40 1gan n SER 40 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1gan s ASN 41 N -0.85 3.33 -0.11 6.43 0.01 -1.15 -0.75 114.94 121.86 1gan s ASN 41 Ca 0.10 -1.13 0.02 0.00 -0.71 0.00 0.00 52.86 51.14 1gan s ASN 41 Cb 0.07 -0.65 -0.01 0.00 0.41 0.00 0.00 41.25 41.08 1gan s ASN 41 CO 0.13 -0.36 -0.16 -0.36 -1.51 0.00 0.00 177.10 174.85 1gan s PHE 42 N 1.82 2.72 0.11 2.20 0.08 0.09 -1.49 117.98 123.52 1gan s PHE 42 Ca 0.04 -0.63 0.01 0.00 0.12 0.00 0.00 56.93 56.46 1gan s PHE 42 Cb -0.17 -1.77 -0.18 0.00 -0.57 0.00 0.00 43.02 40.33 1gan s PHE 42 CO -0.17 -0.17 1.25 1.25 -0.10 0.00 0.00 175.22 177.27 1gan h LEU 43 N 6.42 0.27 -7.20 -0.37 6.46 -0.20 -0.35 115.31 120.34 1gan h LEU 43 Ca -0.29 -0.26 -0.11 0.00 -0.12 0.00 0.00 57.88 57.09 1gan h LEU 43 Cb 1.20 -0.09 -0.27 0.00 -0.73 0.00 0.00 40.66 40.78 1gan h LEU 43 CO 0.53 1.16 -0.32 -0.22 -0.62 0.00 0.00 178.44 178.97 1gan s LEU 44 N -7.13 -0.21 -0.25 2.25 2.96 -0.57 -4.55 118.68 111.17 1gan s LEU 44 Ca -0.02 0.90 0.01 0.00 -0.22 0.00 0.00 54.13 54.80 1gan s LEU 44 Cb 0.09 1.33 0.05 0.00 0.50 0.00 0.00 46.19 48.15 1gan s LEU 44 CO 0.85 -0.20 -0.10 -2.28 -1.32 0.00 0.00 176.35 173.30 1gan s HIS 45 N 1.69 3.17 -0.38 5.38 5.65 0.38 -1.43 115.29 129.75 1gan s HIS 45 Ca -0.08 -2.07 -0.11 0.00 0.25 0.00 0.00 55.06 53.06 1gan s HIS 45 Cb -0.09 -1.97 0.04 0.00 -1.18 0.00 0.00 32.58 29.38 1gan s HIS 45 CO -0.13 -0.84 0.22 0.12 -0.65 0.00 0.00 174.74 173.46 1gan s PHE 46 N 1.18 3.26 -0.28 3.88 5.36 -0.29 -2.34 117.98 128.75 1gan s PHE 46 Ca -0.05 -1.10 -0.01 0.00 -0.96 0.00 0.00 56.93 54.80 1gan s PHE 46 Cb -0.18 -2.55 0.04 0.00 -0.34 0.00 0.00 43.02 39.99 1gan s PHE 46 CO -0.06 -0.70 -0.03 1.21 -1.46 0.00 0.00 175.22 174.18 1gan s ASN 47 N 1.68 4.61 -0.31 6.13 3.04 -0.30 -0.97 114.94 128.83 1gan s ASN 47 Ca 0.02 -1.10 -0.17 0.00 0.04 0.00 0.00 52.86 51.64 1gan s ASN 47 Cb -0.20 -1.68 -0.02 0.00 -1.54 0.00 0.00 41.25 37.81 1gan s ASN 47 CO 0.06 -0.20 0.49 0.00 -3.04 0.00 0.00 177.10 174.40 1gan s ALA 48 N 1.28 3.52 -0.36 1.71 0.00 0.63 -1.14 121.76 127.40 1gan s ALA 48 Ca -0.03 -0.88 -0.10 0.00 0.00 0.00 0.00 51.96 50.95 1gan s ALA 48 Cb -0.18 -2.93 0.03 0.00 0.00 0.00 0.00 23.12 20.04 1gan s ALA 48 CO -0.03 -1.00 0.18 1.03 0.00 0.00 0.00 175.76 175.94 1gan s ARG 49 N 2.31 2.85 -0.08 0.00 0.52 0.19 -1.22 118.95 123.52 1gan s ARG 49 Ca 0.18 -1.05 -0.23 0.00 -0.52 0.00 0.00 55.73 54.11 1gan s ARG 49 Cb -0.16 -3.65 -0.29 0.00 0.52 0.00 0.00 34.95 31.37 1gan s ARG 49 CO 0.12 -0.65 0.81 0.74 0.02 0.00 0.00 175.30 176.34 1gan h PHE 50 N 8.38 0.39 -1.05 -0.53 0.04 -1.11 0.58 116.94 123.64 1gan h PHE 50 Ca -0.26 -0.28 -0.14 0.00 2.80 0.00 0.00 57.97 60.09 1gan h PHE 50 Cb 1.11 -0.02 -0.18 0.00 2.20 0.00 0.00 35.95 39.06 1gan h PHE 50 CO 0.58 1.26 -0.49 0.34 -0.60 0.00 0.00 178.31 179.40 1gan s ASP 51 N -6.79 -1.37 -0.16 2.17 2.15 -0.43 -1.72 116.67 110.52 1gan s ASP 51 Ca -0.16 -1.48 -0.11 0.00 0.43 0.00 0.00 52.55 51.23 1gan s ASP 51 Cb 0.00 1.85 0.05 0.00 -0.30 0.00 0.00 42.92 44.52 1gan s ASP 51 CO 0.78 -0.09 0.40 -0.22 -0.17 0.00 0.00 175.17 175.87 1gan s LEU 52 N 1.15 0.20 -1.37 -1.34 2.96 -0.21 -4.79 118.68 115.27 1gan s LEU 52 Ca 0.26 0.84 -0.01 0.00 -0.22 0.00 0.00 54.13 55.00 1gan s LEU 52 Cb -0.01 1.34 0.00 0.00 0.50 0.00 0.00 46.19 48.02 1gan s LEU 52 CO -0.06 -0.17 0.06 1.41 -1.32 0.00 0.00 176.35 176.28 1gan n HIS 53 N 3.58 -1.31 0.00 5.38 8.25 -1.26 -1.15 115.22 128.70 1gan n HIS 53 Ca -0.18 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1gan n HIS 53 Cb 0.56 -3.33 0.00 0.00 1.12 0.00 0.00 29.99 28.34 1gan n HIS 53 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1gan n GLY 54 N -0.95 1.75 3.85 -1.41 0.00 -1.26 -5.02 105.19 102.15 1gan n GLY 54 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 1gan n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gan s ASP 55 N -3.07 6.81 -0.12 1.61 1.01 -0.30 -5.07 116.67 117.54 1gan s ASP 55 Ca 0.00 1.08 -0.01 0.00 0.71 0.00 0.00 52.55 54.33 1gan s ASP 55 Cb 0.00 -2.29 0.03 0.00 1.01 0.00 0.00 42.92 41.68 1gan s ASP 55 CO 0.00 0.08 -0.03 -0.69 0.21 0.00 0.00 175.17 174.74 1gan s VAL 56 N -1.51 0.74 -1.22 -1.27 1.01 -1.26 -1.05 120.40 115.83 1gan s VAL 56 Ca 0.39 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 1gan s VAL 56 Cb -0.15 -0.91 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 1gan s VAL 56 CO 0.19 0.20 0.80 0.59 0.00 0.00 0.00 175.10 176.88 1gan n ASN 57 N 5.02 -2.71 -4.34 3.32 5.03 0.18 -4.97 115.26 116.79 1gan n ASN 57 Ca -0.10 -0.79 -0.26 0.00 0.87 0.00 0.00 54.58 54.30 1gan n ASN 57 Cb 0.49 -4.35 -0.13 0.00 -1.02 0.00 0.00 39.78 34.78 1gan n ASN 57 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1gan s LYS 58 N -5.61 1.26 -0.17 3.52 -0.14 0.25 -4.77 119.74 114.07 1gan s LYS 58 Ca 0.13 -1.26 -0.03 0.00 -1.36 0.00 0.00 55.97 53.45 1gan s LYS 58 Cb -0.03 -1.63 -0.02 0.00 -1.68 0.00 0.00 37.83 34.47 1gan s LYS 58 CO 0.79 0.38 -0.07 0.42 -0.76 0.00 0.00 175.35 176.11 1gan s ILE 59 N -1.15 3.42 -0.11 2.17 1.01 -1.26 0.53 121.20 125.81 1gan s ILE 59 Ca 0.10 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.26 1gan s ILE 59 Cb -0.10 -2.50 0.02 0.00 0.01 0.00 0.00 42.46 39.89 1gan s ILE 59 CO 0.05 0.48 -0.15 -0.69 0.00 0.00 0.00 174.94 174.63 1gan s VAL 60 N 0.79 1.48 0.16 2.92 1.01 -0.29 -1.70 120.40 124.77 1gan s VAL 60 Ca -0.03 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 61.41 1gan s VAL 60 Cb -0.15 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1gan s VAL 60 CO 0.02 0.44 -0.10 0.00 0.00 0.00 0.00 175.10 175.46 1gan s ASN 62 N -2.66 -0.08 0.44 0.00 3.84 -0.99 -0.81 114.94 114.67 1gan s ASN 62 Ca 0.24 -0.33 0.06 0.00 0.21 0.00 0.00 52.86 53.04 1gan s ASN 62 Cb -0.09 0.33 -0.05 0.00 -0.55 0.00 0.00 41.25 40.88 1gan s ASN 62 CO 0.15 -0.62 0.08 -0.94 -2.79 0.00 0.00 177.10 172.97 1gan s SER 63 N -3.12 4.12 -0.16 -4.21 1.04 -1.26 -0.47 113.70 109.64 1gan s SER 63 Ca 0.16 -1.34 -0.11 0.00 0.48 0.00 0.00 55.95 55.15 1gan s SER 63 Cb 0.01 -0.20 0.05 0.00 0.10 0.00 0.00 66.02 65.98 1gan s SER 63 CO 0.00 -0.59 0.40 -0.75 0.98 0.00 0.00 173.24 173.28 1gan s LYS 64 N -3.83 0.40 -0.11 4.02 2.20 -0.14 -1.65 119.74 120.65 1gan s LYS 64 Ca 0.31 0.69 -0.01 0.00 -0.36 0.00 0.00 55.97 56.61 1gan s LYS 64 Cb 0.06 0.05 0.03 0.00 -1.51 0.00 0.00 37.83 36.46 1gan s LYS 64 CO 0.17 -0.12 -0.06 -2.00 -0.36 0.00 0.00 175.35 172.97 1gan s GLU 65 N 1.00 1.37 -1.45 4.03 2.12 -0.28 -0.73 118.70 124.77 1gan s GLU 65 Ca -0.06 -0.19 -0.11 0.00 0.36 0.00 0.00 54.97 54.96 1gan s GLU 65 Cb -0.07 -1.48 0.05 0.00 0.26 0.00 0.00 34.13 32.89 1gan s GLU 65 CO -0.08 -0.27 1.07 0.00 -0.54 0.00 0.00 175.26 175.44 1gan n ALA 66 N 4.97 -1.33 -0.68 6.30 0.00 -0.80 -1.62 120.51 127.35 1gan n ALA 66 Ca -0.12 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1gan n ALA 66 Cb 0.50 -4.85 0.00 0.00 0.00 0.00 0.00 19.45 15.10 1gan n ALA 66 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1gan n ASP 67 N -2.93 0.00 -4.69 0.00 8.00 0.07 -5.00 116.55 112.00 1gan n ASP 67 Ca 0.01 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.14 1gan n ASP 67 Cb 0.55 -0.55 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 1gan n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gan s ALA 68 N -3.10 3.59 0.38 2.24 0.00 -0.64 -5.08 121.76 119.16 1gan s ALA 68 Ca 0.00 -0.60 -0.24 0.00 0.00 0.00 0.00 51.96 51.12 1gan s ALA 68 Cb 0.00 -2.44 -0.10 0.00 0.00 0.00 0.00 23.12 20.59 1gan s ALA 68 CO 0.00 -0.10 0.99 -1.58 0.00 0.00 0.00 175.76 175.08 1gan s TRP 69 N 0.87 3.42 0.00 0.00 0.52 -1.26 -1.13 118.94 121.36 1gan s TRP 69 Ca 0.15 1.68 0.00 0.00 0.02 0.00 0.00 56.10 57.95 1gan s TRP 69 Cb -0.13 -3.00 0.00 0.00 -1.15 0.00 0.00 33.47 29.18 1gan s TRP 69 CO 0.05 -0.25 0.00 0.41 0.02 0.00 0.00 176.95 177.18 1gan n GLY 70 N 0.22 1.56 3.72 0.98 0.00 -0.66 -4.95 105.19 106.06 1gan n GLY 70 Ca 0.04 -1.75 -0.40 0.00 0.00 0.00 0.00 46.02 43.92 1gan n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gan s SER 71 N -1.00 7.07 0.41 1.61 0.01 -1.26 -4.85 113.70 115.69 1gan s SER 71 Ca 0.00 1.29 -0.24 0.00 1.31 0.00 0.00 55.95 58.31 1gan s SER 71 Cb 0.00 -2.44 -0.09 0.00 0.21 0.00 0.00 66.02 63.70 1gan s SER 71 CO 0.00 -0.12 1.06 -1.61 0.41 0.00 0.00 173.24 172.98 1gan s GLU 72 N 0.71 4.11 -0.14 12.44 2.02 -1.26 -4.65 118.70 131.92 1gan s GLU 72 Ca 0.40 1.52 0.02 0.00 0.02 0.00 0.00 54.97 56.92 1gan s GLU 72 Cb -0.19 -2.50 0.02 0.00 0.10 0.00 0.00 34.13 31.56 1gan s GLU 72 CO 0.20 -0.19 -0.18 -1.14 0.02 0.00 0.00 175.26 173.97 1gan s GLN 73 N -2.57 2.63 -0.08 1.61 0.74 0.01 -4.97 119.66 117.02 1gan s GLN 73 Ca 0.59 -0.70 -0.01 0.00 0.05 0.00 0.00 55.36 55.29 1gan s GLN 73 Cb -0.22 -2.22 -0.03 0.00 1.10 0.00 0.00 33.01 31.64 1gan s GLN 73 CO 0.27 -0.10 -0.03 1.03 -0.55 0.00 0.00 175.29 175.92 1gan s ARG 74 N 1.06 2.91 0.11 1.67 0.52 -1.26 -0.86 118.95 123.10 1gan s ARG 74 Ca -0.03 -0.46 0.07 0.00 -0.52 0.00 0.00 55.73 54.79 1gan s ARG 74 Cb -0.14 -2.72 -0.04 0.00 0.52 0.00 0.00 34.95 32.57 1gan s ARG 74 CO -0.05 0.68 -0.09 -1.21 0.02 0.00 0.00 175.30 174.65 1gan s GLU 75 N -0.83 2.17 0.16 3.54 0.41 -0.69 -5.03 118.70 118.43 1gan s GLU 75 Ca 0.13 -1.03 0.14 0.00 -0.41 0.00 0.00 54.97 53.79 1gan s GLU 75 Cb -0.11 -2.32 -0.07 0.00 -1.78 0.00 0.00 34.13 29.85 1gan s GLU 75 CO 0.02 0.50 1.19 0.78 -0.49 0.00 0.00 175.26 177.26 1gan h GLY 76 N 3.48 0.00 -4.41 -1.39 0.00 -1.97 -3.34 103.07 95.44 1gan h GLY 76 Ca -0.49 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.30 1gan h GLY 76 CO 0.53 0.00 0.12 -1.34 0.00 0.00 0.00 176.54 175.85 1gan s VAL 77 N -2.87 4.58 -0.43 4.60 -7.23 -1.26 -5.01 120.40 112.79 1gan s VAL 77 Ca 0.01 1.55 0.02 0.00 -1.81 0.00 0.00 61.98 61.75 1gan s VAL 77 Cb 0.08 -4.07 0.15 0.00 0.56 0.00 0.00 36.38 33.11 1gan s VAL 77 CO 0.79 0.48 0.29 0.12 -0.31 0.00 0.00 175.10 176.47 1gan s PHE 78 N -0.76 1.38 -0.19 2.82 5.36 -1.26 -4.63 117.98 120.70 1gan s PHE 78 Ca 0.35 -2.22 -0.00 0.00 -0.96 0.00 0.00 56.93 54.10 1gan s PHE 78 Cb -0.21 -1.28 0.16 0.00 -0.34 0.00 0.00 43.02 41.35 1gan s PHE 78 CO 0.23 -0.79 1.78 -0.35 -1.46 0.00 0.00 175.22 174.63 1gan n PRO 79 N 3.29 1.48 -4.37 10.12 -0.04 -1.26 -4.91 135.00 139.31 1gan n PRO 79 Ca 0.19 -0.99 -0.25 0.00 -0.04 0.00 0.00 63.50 62.41 1gan n PRO 79 Cb 0.40 -1.39 -0.12 0.00 -0.04 0.00 0.00 33.50 32.36 1gan n PRO 79 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1gan s PHE 80 N -1.13 2.05 -0.05 0.54 0.08 -1.26 -5.01 117.98 113.20 1gan s PHE 80 Ca 0.19 -0.41 -0.02 0.00 0.12 0.00 0.00 56.93 56.81 1gan s PHE 80 Cb 0.15 -1.03 0.03 0.00 -0.57 0.00 0.00 43.02 41.61 1gan s PHE 80 CO 0.01 0.40 0.10 1.14 -0.10 0.00 0.00 175.22 176.77 1gan s GLN 81 N -2.62 0.05 0.55 0.44 -2.07 -1.26 -5.13 119.66 109.62 1gan s GLN 81 Ca 0.17 0.29 -0.20 0.00 -1.82 0.00 0.00 55.36 53.79 1gan s GLN 81 Cb -0.07 -0.18 -0.06 0.00 -1.09 0.00 0.00 33.01 31.61 1gan s GLN 81 CO 0.08 -0.15 1.04 1.04 -1.32 0.00 0.00 175.29 175.98 1gan n GLN 82 N 4.08 1.15 0.00 9.60 6.02 -1.26 -2.16 117.38 134.81 1gan n GLN 82 Ca -0.26 0.43 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 1gan n GLN 82 Cb 0.52 -2.21 0.00 0.00 1.02 0.00 0.00 30.24 29.57 1gan n GLN 82 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1gan n GLY 83 N 1.17 2.91 3.99 1.08 0.00 0.48 -4.78 105.19 110.03 1gan n GLY 83 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1gan n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gan s ALA 84 N -2.51 3.58 -0.07 4.61 0.00 -0.92 -4.69 121.76 121.77 1gan s ALA 84 Ca 0.00 -1.66 -0.04 0.00 0.00 0.00 0.00 51.96 50.26 1gan s ALA 84 Cb 0.00 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 21.00 1gan s ALA 84 CO 0.00 -1.51 0.14 -1.83 0.00 0.00 0.00 175.76 172.56 1gan s GLU 85 N -5.19 3.38 0.14 0.00 -1.05 -1.26 0.87 118.70 115.60 1gan s GLU 85 Ca 0.66 -0.25 0.07 0.00 -0.15 0.00 0.00 54.97 55.30 1gan s GLU 85 Cb -0.05 -3.10 -0.04 0.00 -0.44 0.00 0.00 34.13 30.49 1gan s GLU 85 CO 0.45 0.72 -0.03 0.08 0.95 0.00 0.00 175.26 177.43 1gan s VAL 86 N -1.15 3.67 -0.23 1.83 1.01 0.12 -4.90 120.40 120.75 1gan s VAL 86 Ca 0.20 -1.33 -0.03 0.00 0.00 0.00 0.00 61.98 60.82 1gan s VAL 86 Cb -0.12 -2.80 0.10 0.00 0.00 0.00 0.00 36.38 33.56 1gan s VAL 86 CO 0.10 -0.02 0.23 -0.04 0.00 0.00 0.00 175.10 175.37 1gan s MET 87 N -2.67 0.22 -0.03 2.72 -1.94 -1.26 -1.56 119.30 114.78 1gan s MET 87 Ca 0.26 0.06 0.02 0.00 -1.71 0.00 0.00 55.69 54.31 1gan s MET 87 Cb -0.10 -1.10 0.01 0.00 2.01 0.00 0.00 34.83 35.65 1gan s MET 87 CO 0.17 -0.77 -0.07 0.54 -0.01 0.00 0.00 175.02 174.88 1gan s VAL 88 N 2.31 0.65 -0.01 -6.03 0.11 -0.81 -3.07 120.40 113.55 1gan s VAL 88 Ca 0.08 -0.27 0.04 0.00 -2.93 0.00 0.00 61.98 58.90 1gan s VAL 88 Cb -0.15 -0.61 -0.03 0.00 -1.53 0.00 0.00 36.38 34.06 1gan s VAL 88 CO -0.19 0.22 -0.12 0.00 -3.33 0.00 0.00 175.10 171.68 1gan s PHE 90 N -0.86 3.42 -0.19 0.00 0.08 0.06 -1.00 117.98 119.49 1gan s PHE 90 Ca 0.14 -2.46 -0.16 0.00 0.12 0.00 0.00 56.93 54.58 1gan s PHE 90 Cb -0.11 -2.30 -0.04 0.00 -0.57 0.00 0.00 43.02 40.00 1gan s PHE 90 CO 0.04 -0.89 0.38 -2.00 -0.10 0.00 0.00 175.22 172.65 1gan s GLU 91 N 1.07 4.19 -0.33 0.44 2.12 -0.32 -1.61 118.70 124.25 1gan s GLU 91 Ca -0.02 0.19 -0.14 0.00 0.36 0.00 0.00 54.97 55.36 1gan s GLU 91 Cb -0.20 -3.52 -0.02 0.00 0.26 0.00 0.00 34.13 30.65 1gan s GLU 91 CO -0.05 0.01 0.29 -0.47 -0.54 0.00 0.00 175.26 174.49 1gan s TYR 92 N 1.17 3.22 0.21 5.30 5.04 -0.46 -0.84 117.35 130.99 1gan s TYR 92 Ca 0.19 -0.10 0.10 0.00 -2.44 0.00 0.00 57.07 54.82 1gan s TYR 92 Cb -0.15 -2.55 -0.04 0.00 0.35 0.00 0.00 41.96 39.57 1gan s TYR 92 CO 0.08 -0.37 -0.15 -0.65 -1.34 0.00 0.00 175.55 173.11 1gan s GLN 93 N 1.85 1.84 0.48 4.97 1.11 0.42 -0.09 119.66 130.23 1gan s GLN 93 Ca 0.09 -1.46 0.22 0.00 0.01 0.00 0.00 55.36 54.22 1gan s GLN 93 Cb -0.17 -1.98 1.21 0.00 -1.01 0.00 0.00 33.01 31.06 1gan s GLN 93 CO 0.11 0.40 2.00 1.79 0.01 0.00 0.00 175.29 179.60 1gan h THR 94 N 2.72 0.78 0.00 -0.19 1.35 -1.97 -2.86 112.91 112.75 1gan h THR 94 Ca -0.45 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 1gan h THR 94 Cb 1.22 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 1gan h THR 94 CO 0.54 0.18 -1.62 -0.90 -0.25 0.00 0.00 175.52 173.46 1gan n ASP 95 N -3.82 0.31 -3.71 5.36 5.75 -1.26 -4.74 116.55 114.45 1gan n ASP 95 Ca -0.02 0.06 -0.05 0.00 -0.01 0.00 0.00 54.79 54.77 1gan n ASP 95 Cb 0.28 1.44 -0.02 0.00 -1.03 0.00 0.00 41.12 41.80 1gan n ASP 95 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1gan s LYS 96 N -3.44 1.21 -0.15 0.11 -2.85 -1.08 -2.04 119.74 111.50 1gan s LYS 96 Ca -0.05 -0.63 0.00 0.00 -1.00 0.00 0.00 55.97 54.30 1gan s LYS 96 Cb 0.13 0.44 -0.00 0.00 -2.06 0.00 0.00 37.83 36.33 1gan s LYS 96 CO 0.87 -0.55 -0.16 0.42 0.10 0.00 0.00 175.35 176.03 1gan s ILE 97 N -3.36 2.63 -0.17 3.79 -1.09 -0.38 -0.44 121.20 122.19 1gan s ILE 97 Ca 0.10 -0.78 -0.13 0.00 -2.23 0.00 0.00 60.65 57.61 1gan s ILE 97 Cb -0.02 -2.10 -0.05 0.00 -1.58 0.00 0.00 42.46 38.71 1gan s ILE 97 CO 0.00 0.52 0.26 -0.63 -1.23 0.00 0.00 174.94 173.86 1gan s ILE 98 N 0.78 5.33 -0.28 2.92 1.09 -0.02 -1.35 121.20 129.67 1gan s ILE 98 Ca -0.06 0.48 -0.07 0.00 -1.10 0.00 0.00 60.65 59.90 1gan s ILE 98 Cb -0.15 -3.60 -0.00 0.00 -1.06 0.00 0.00 42.46 37.64 1gan s ILE 98 CO 0.00 0.40 0.07 -0.63 -0.10 0.00 0.00 174.94 174.69 1gan s ILE 99 N 0.43 4.07 -0.04 2.92 1.09 0.98 -1.18 121.20 129.47 1gan s ILE 99 Ca 0.15 -0.50 0.03 0.00 -1.10 0.00 0.00 60.65 59.23 1gan s ILE 99 Cb -0.13 -3.02 -0.03 0.00 -1.06 0.00 0.00 42.46 38.22 1gan s ILE 99 CO 0.03 0.18 -0.10 -0.54 -0.10 0.00 0.00 174.94 174.42 1gan s LYS 100 N 1.54 2.58 0.11 2.79 1.02 -0.17 -1.26 119.74 126.36 1gan s LYS 100 Ca 0.04 -0.66 0.07 0.00 0.02 0.00 0.00 55.97 55.43 1gan s LYS 100 Cb -0.16 -2.48 -0.04 0.00 -0.52 0.00 0.00 37.83 34.62 1gan s LYS 100 CO 0.03 0.63 -0.06 -0.06 -0.92 0.00 0.00 175.35 174.97 1gan s PHE 101 N -0.85 2.82 0.51 3.18 0.08 0.51 -1.05 117.98 123.18 1gan s PHE 101 Ca 0.14 -0.12 0.15 0.00 0.12 0.00 0.00 56.93 57.22 1gan s PHE 101 Cb -0.11 -1.45 1.22 0.00 -0.57 0.00 0.00 43.02 42.11 1gan s PHE 101 CO 0.03 0.46 2.13 0.66 -0.10 0.00 0.00 175.22 178.40 1gan h SER 102 N 3.42 0.04 0.00 1.36 4.64 -1.84 -0.58 113.55 120.59 1gan h SER 102 Ca -0.48 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1gan h SER 102 Cb 1.17 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1gan h SER 102 CO 0.55 0.04 0.00 -1.54 -0.87 0.00 0.00 176.83 175.01 1gan n SER 103 N -4.52 0.00 0.00 4.97 3.41 -1.26 -4.80 113.62 111.42 1gan n SER 103 Ca -0.02 -1.09 0.00 0.00 -0.26 0.00 0.00 58.87 57.49 1gan n SER 103 Cb 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1gan n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gan n GLY 104 N 0.05 2.98 3.75 5.00 0.00 -0.23 -4.98 105.19 111.77 1gan n GLY 104 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1gan n GLY 104 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gan s ASP 105 N -1.63 5.24 -0.14 1.61 1.01 -1.26 -4.77 116.67 116.74 1gan s ASP 105 Ca 0.00 2.78 -0.25 0.00 0.71 0.00 0.00 52.55 55.79 1gan s ASP 105 Cb 0.00 -2.64 0.06 0.00 1.01 0.00 0.00 42.92 41.35 1gan s ASP 105 CO 0.00 -1.59 0.61 -1.58 0.21 0.00 0.00 175.17 172.82 1gan s GLN 106 N -2.92 0.86 0.20 8.23 0.74 -1.26 -0.36 119.66 125.15 1gan s GLN 106 Ca 0.72 0.51 -0.22 0.00 0.05 0.00 0.00 55.36 56.41 1gan s GLN 106 Cb -0.41 0.41 0.05 0.00 1.10 0.00 0.00 33.01 34.16 1gan s GLN 106 CO 0.48 -0.19 0.66 -0.59 -0.55 0.00 0.00 175.29 175.10 1gan s PHE 107 N -0.46 -0.39 0.30 1.67 -0.12 -0.39 -5.00 117.98 113.59 1gan s PHE 107 Ca -0.06 0.08 0.09 0.00 -0.05 0.00 0.00 56.93 56.99 1gan s PHE 107 Cb -0.03 0.62 -0.06 0.00 -0.63 0.00 0.00 43.02 42.92 1gan s PHE 107 CO 0.05 -0.99 -0.11 -1.54 -0.05 0.00 0.00 175.22 172.57 1gan s SER 108 N -2.81 3.29 -0.01 1.98 1.04 -1.26 -0.02 113.70 115.91 1gan s SER 108 Ca 0.05 -1.14 0.01 0.00 0.48 0.00 0.00 55.95 55.35 1gan s SER 108 Cb -0.03 -0.26 0.01 0.00 0.10 0.00 0.00 66.02 65.84 1gan s SER 108 CO -0.05 -0.19 -0.03 0.12 0.98 0.00 0.00 173.24 174.07 1gan s PHE 109 N -2.75 0.36 0.37 5.02 5.36 -0.46 -4.96 117.98 120.92 1gan s PHE 109 Ca 0.30 -0.06 -0.27 0.00 -0.96 0.00 0.00 56.93 55.94 1gan s PHE 109 Cb 0.01 -0.30 -0.10 0.00 -0.34 0.00 0.00 43.02 42.29 1gan s PHE 109 CO 0.14 -0.05 1.31 -1.25 -1.46 0.00 0.00 175.22 173.90 1gan s PRO 110 N 0.29 4.16 -0.37 10.12 0.04 -1.26 -1.24 135.00 146.73 1gan s PRO 110 Ca -0.03 2.19 -0.26 0.00 0.04 0.00 0.00 61.00 62.94 1gan s PRO 110 Cb -0.06 -2.91 0.02 0.00 0.04 0.00 0.00 34.50 31.59 1gan s PRO 110 CO -0.01 -0.34 0.92 0.08 0.04 0.00 0.00 177.00 177.70 1gan s VAL 111 N -1.20 4.58 -1.65 -0.36 1.01 -0.87 -4.82 120.40 117.09 1gan s VAL 111 Ca 0.53 1.17 0.25 0.00 0.00 0.00 0.00 61.98 63.93 1gan s VAL 111 Cb -0.39 -4.34 0.14 0.00 0.00 0.00 0.00 36.38 31.79 1gan s VAL 111 CO 0.51 -0.55 1.40 0.54 0.00 0.00 0.00 175.10 177.00 1gan n ARG 112 N 6.79 0.73 -3.41 2.72 1.74 -1.26 -4.73 116.66 119.23 1gan n ARG 112 Ca 0.07 -0.49 -0.10 0.00 -0.77 0.00 0.00 57.85 56.56 1gan n ARG 112 Cb 0.48 -1.49 -0.09 0.00 -1.02 0.00 0.00 32.46 30.34 1gan n ARG 112 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1gan s LYS 113 N -2.61 0.32 -0.37 5.56 2.20 -1.26 -5.12 119.74 118.47 1gan s LYS 113 Ca 0.20 0.58 -0.28 0.00 -0.36 0.00 0.00 55.97 56.11 1gan s LYS 113 Cb 0.19 -0.42 0.02 0.00 -1.51 0.00 0.00 37.83 36.10 1gan s LYS 113 CO 0.58 -0.58 1.03 0.08 -0.36 0.00 0.00 175.35 176.10 1gan s VAL 114 N 2.53 4.47 -0.01 4.02 1.01 -1.26 -5.02 120.40 126.14 1gan s VAL 114 Ca 0.10 1.42 -0.00 0.00 0.00 0.00 0.00 61.98 63.50 1gan s VAL 114 Cb -0.15 -4.43 -0.04 0.00 0.00 0.00 0.00 36.38 31.77 1gan s VAL 114 CO -0.15 -0.62 0.05 -0.76 0.00 0.00 0.00 175.10 173.62 1gan s LEU 115 N 3.77 3.75 0.45 3.92 1.43 -1.26 -5.01 118.68 125.72 1gan s LEU 115 Ca 0.43 0.10 0.14 0.00 -1.03 0.00 0.00 54.13 53.77 1gan s LEU 115 Cb -0.11 -2.14 1.01 0.00 0.03 0.00 0.00 46.19 44.99 1gan s LEU 115 CO 0.20 0.29 2.01 1.55 0.23 0.00 0.00 176.35 180.63 1gan h PRO 116 N 4.30 0.04 -2.29 1.29 0.13 -1.95 -3.44 132.00 130.08 1gan h PRO 116 Ca -0.49 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.56 1gan h PRO 116 Cb 1.18 -0.01 -0.19 0.00 0.13 0.00 0.00 31.00 32.12 1gan h PRO 116 CO 0.60 0.18 0.09 -1.54 -0.23 0.00 0.00 178.00 177.10 1gan s SER 117 N -6.99 -0.55 -0.32 1.44 1.04 -1.26 -4.27 113.70 102.79 1gan s SER 117 Ca -0.04 0.53 -0.19 0.00 0.48 0.00 0.00 55.95 56.72 1gan s SER 117 Cb 0.16 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.76 1gan s SER 117 CO 0.70 -0.60 0.59 -0.63 0.98 0.00 0.00 173.24 174.28 1gan s ILE 118 N -1.39 4.96 -0.93 -1.02 1.01 0.78 -4.80 121.20 119.81 1gan s ILE 118 Ca -0.11 0.72 0.24 0.00 0.00 0.00 0.00 60.65 61.50 1gan s ILE 118 Cb -0.01 -3.98 -0.03 0.00 0.01 0.00 0.00 42.46 38.45 1gan s ILE 118 CO 0.07 -0.15 1.32 -0.81 0.00 0.00 0.00 174.94 175.37 1gan n PRO 119 N 5.83 0.05 -4.64 2.79 -0.04 -1.19 -0.25 135.00 137.55 1gan n PRO 119 Ca -0.02 0.01 -0.23 0.00 -0.04 0.00 0.00 63.50 63.22 1gan n PRO 119 Cb 0.49 -1.53 -0.15 0.00 -0.04 0.00 0.00 33.50 32.28 1gan n PRO 119 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1gan s PHE 120 N -3.03 1.40 -0.00 0.54 5.36 -0.63 -0.38 117.98 121.24 1gan s PHE 120 Ca 0.10 -0.29 0.01 0.00 -0.96 0.00 0.00 56.93 55.78 1gan s PHE 120 Cb 0.17 -0.88 -0.00 0.00 -0.34 0.00 0.00 43.02 41.97 1gan s PHE 120 CO 0.73 0.00 -0.03 -1.17 -1.46 0.00 0.00 175.22 173.29 1gan s LEU 121 N -0.62 1.95 -0.05 6.12 0.20 -0.44 -1.91 118.68 123.92 1gan s LEU 121 Ca 0.05 -0.05 -0.09 0.00 0.69 0.00 0.00 54.13 54.74 1gan s LEU 121 Cb -0.07 -0.16 0.02 0.00 -0.43 0.00 0.00 46.19 45.55 1gan s LEU 121 CO 0.00 0.03 0.21 -0.94 -0.29 0.00 0.00 176.35 175.36 1gan s SER 122 N 0.01 -0.16 0.15 3.68 1.04 0.19 -0.47 113.70 118.13 1gan s SER 122 Ca 0.00 0.24 0.07 0.00 0.48 0.00 0.00 55.95 56.74 1gan s SER 122 Cb -0.02 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 1gan s SER 122 CO -0.00 -0.20 -0.03 -0.76 0.98 0.00 0.00 173.24 173.23 1gan s LEU 123 N -0.44 3.24 -0.03 2.42 1.43 -0.41 -0.72 118.68 124.17 1gan s LEU 123 Ca -0.05 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 52.66 1gan s LEU 123 Cb -0.04 -1.94 0.03 0.00 0.03 0.00 0.00 46.19 44.28 1gan s LEU 123 CO 0.01 0.12 0.06 -1.61 0.23 0.00 0.00 176.35 175.16 1gan s GLU 124 N -2.66 -0.00 -0.95 1.70 2.02 -0.25 -3.25 118.70 115.30 1gan s GLU 124 Ca 0.25 0.22 0.00 0.00 0.02 0.00 0.00 54.97 55.46 1gan s GLU 124 Cb -0.10 -0.21 0.00 0.00 0.10 0.00 0.00 34.13 33.92 1gan s GLU 124 CO 0.17 -0.16 0.00 0.41 0.02 0.00 0.00 175.26 175.70 1gan n GLY 125 N 4.11 0.93 3.18 -1.39 0.00 -1.26 -1.32 105.19 109.44 1gan n GLY 125 Ca -0.26 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 1gan n GLY 125 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1gan s LEU 126 N -2.04 1.97 -0.45 0.99 2.96 -1.26 -4.38 118.68 116.48 1gan s LEU 126 Ca 0.00 -0.42 -0.23 0.00 -0.22 0.00 0.00 54.13 53.26 1gan s LEU 126 Cb 0.00 -1.14 0.03 0.00 0.50 0.00 0.00 46.19 45.57 1gan s LEU 126 CO 0.00 0.18 0.77 -1.10 -1.32 0.00 0.00 176.35 174.88 1gan s GLN 127 N 0.01 3.40 0.28 1.98 -0.21 -0.02 -4.85 119.66 120.25 1gan s GLN 127 Ca -0.05 -0.12 -0.29 0.00 0.02 0.00 0.00 55.36 54.91 1gan s GLN 127 Cb -0.13 -3.94 -0.10 0.00 1.00 0.00 0.00 33.01 29.84 1gan s GLN 127 CO 0.03 -1.10 1.38 0.12 -2.12 0.00 0.00 175.29 173.59 1gan s PHE 128 N 3.24 3.04 0.05 0.91 5.36 -1.26 0.29 117.98 129.60 1gan s PHE 128 Ca 0.29 1.20 -0.03 0.00 -0.96 0.00 0.00 56.93 57.43 1gan s PHE 128 Cb -0.12 -3.75 -0.01 0.00 -0.34 0.00 0.00 43.02 38.79 1gan s PHE 128 CO 0.22 -2.28 -0.06 1.63 -1.46 0.00 0.00 175.22 173.27 1gan n LYS 129 N 1.70 0.09 -3.71 10.12 5.02 0.40 -4.90 118.16 126.88 1gan n LYS 129 Ca 0.04 0.04 -0.13 0.00 -2.02 0.00 0.00 58.31 56.24 1gan n LYS 129 Cb 0.41 -0.66 -0.07 0.00 -0.02 0.00 0.00 35.03 34.69 1gan n LYS 129 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1gan s SER 130 N -5.95 -0.24 -0.10 4.39 1.04 -1.13 -5.01 113.70 106.70 1gan s SER 130 Ca -0.05 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1gan s SER 130 Cb 0.01 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.53 1gan s SER 130 CO 0.08 -0.58 -0.08 -0.63 0.98 0.00 0.00 173.24 173.00 1gan s ILE 131 N -2.07 1.03 0.01 -1.02 1.01 -1.26 -1.38 121.20 117.53 1gan s ILE 131 Ca -0.08 -0.32 0.05 0.00 0.00 0.00 0.00 60.65 60.30 1gan s ILE 131 Cb -0.02 -1.03 -0.02 0.00 0.01 0.00 0.00 42.46 41.40 1gan s ILE 131 CO 0.00 0.36 -0.16 -0.89 0.00 0.00 0.00 174.94 174.26 1gan s THR 132 N 1.49 1.26 0.14 2.92 2.01 -0.67 -4.97 115.64 117.82 1gan s THR 132 Ca 0.01 -0.82 0.09 0.00 0.31 0.00 0.00 61.69 61.28 1gan s THR 132 Cb -0.13 -1.08 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 1gan s THR 132 CO -0.06 0.24 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.01 1gan s THR 133 N -0.54 1.91 0.00 -0.82 2.01 -1.26 -0.46 115.64 116.47 1gan s THR 133 Ca 0.05 -1.77 0.00 0.00 0.31 0.00 0.00 61.69 60.28 1gan s THR 133 Cb -0.07 -1.80 0.00 0.00 0.01 0.00 0.00 72.50 70.65 1gan s THR 133 CO 0.00 -0.14 0.00 -0.62 -0.69 0.00 0.00 174.62 173.18