#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9y n SER 2 N 0.00 1.95 -4.21 1.61 3.41 -1.26 -4.94 113.62 110.17 2d9y n SER 2 Ca 0.00 1.12 -0.14 0.00 -0.26 0.00 0.00 58.87 59.58 2d9y n SER 2 Cb 0.00 -1.04 -0.10 0.00 -0.26 0.00 0.00 64.21 62.81 2d9y n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2d9y s SER 3 N 3.37 1.63 0.00 4.04 0.01 -1.26 -5.16 113.70 116.34 2d9y s SER 3 Ca 1.01 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 57.35 2d9y s SER 3 Cb -1.24 -0.00 0.00 0.00 0.21 0.00 0.00 66.02 64.99 2d9y s SER 3 CO 0.72 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.68 2d9y n GLY 4 N 0.16 0.59 4.27 3.44 0.00 -1.26 -4.69 105.19 107.71 2d9y n GLY 4 Ca -0.13 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 2d9y n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2d9y n SER 5 N 0.00 -2.22 -3.99 1.61 7.64 -1.26 -4.93 113.62 110.47 2d9y n SER 5 Ca 0.00 -1.09 -0.19 0.00 1.01 0.00 0.00 58.87 58.60 2d9y n SER 5 Cb 0.00 -2.43 -0.15 0.00 -1.01 0.00 0.00 64.21 60.62 2d9y n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2d9y s SER 6 N -3.52 1.00 0.54 6.43 1.04 -1.26 -5.10 113.70 112.84 2d9y s SER 6 Ca 0.61 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.88 2d9y s SER 6 Cb -0.34 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.57 2d9y s SER 6 CO 0.95 0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.85 2d9y n GLY 7 N 3.17 -1.39 3.71 7.32 0.00 -1.26 -4.66 105.19 112.08 2d9y n GLY 7 Ca -0.16 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 2d9y n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2d9y s ASN 8 N -5.65 7.18 0.04 1.61 0.01 -1.26 -5.04 114.94 111.83 2d9y s ASN 8 Ca 0.00 1.86 -0.00 0.00 -0.71 0.00 0.00 52.86 54.01 2d9y s ASN 8 Cb 0.00 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 2d9y s ASN 8 CO 0.00 -0.41 0.16 0.00 -1.51 0.00 0.00 177.10 175.34 2d9y s ALA 9 N 1.18 3.84 0.93 0.60 0.00 -1.26 -5.11 121.76 121.94 2d9y s ALA 9 Ca 0.56 -0.86 -0.12 0.00 0.00 0.00 0.00 51.96 51.54 2d9y s ALA 9 Cb -0.26 -1.72 0.15 0.00 0.00 0.00 0.00 23.12 21.29 2d9y s ALA 9 CO 0.28 0.77 1.09 -1.25 0.00 0.00 0.00 175.76 176.65 2d9y s PRO 10 N -2.23 0.99 0.34 0.00 0.04 -1.26 -5.02 135.00 127.86 2d9y s PRO 10 Ca 0.30 0.72 -0.21 0.00 0.04 0.00 0.00 61.00 61.86 2d9y s PRO 10 Cb -0.13 -1.79 -0.10 0.00 0.04 0.00 0.00 34.50 32.53 2d9y s PRO 10 CO 0.22 -2.40 0.86 0.54 0.04 0.00 0.00 177.00 176.26 2d9y s VAL 11 N -2.94 4.44 -0.22 -0.36 0.11 -1.26 -4.87 120.40 115.30 2d9y s VAL 11 Ca 0.64 1.41 -0.19 0.00 -2.93 0.00 0.00 61.98 60.91 2d9y s VAL 11 Cb -0.18 -3.76 -0.17 0.00 -1.53 0.00 0.00 36.38 30.75 2d9y s VAL 11 CO 0.57 -0.07 0.07 0.41 -3.33 0.00 0.00 175.10 172.75 2d9y n THR 12 N -0.01 1.53 -3.65 5.04 -1.04 -1.18 -5.03 114.28 109.94 2d9y n THR 12 Ca 0.03 -0.08 -0.14 0.00 -2.04 0.00 0.00 64.05 61.81 2d9y n THR 12 Cb 0.52 -2.03 -0.07 0.00 -1.82 0.00 0.00 70.33 66.93 2d9y n THR 12 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2d9y s LYS 13 N -2.39 0.89 -0.27 -2.82 2.20 -1.20 -5.02 119.74 111.13 2d9y s LYS 13 Ca -0.30 -0.14 -0.20 0.00 -0.36 0.00 0.00 55.97 54.97 2d9y s LYS 13 Cb 0.07 0.41 0.07 0.00 -1.51 0.00 0.00 37.83 36.87 2d9y s LYS 13 CO 0.55 -0.29 0.70 0.00 -0.36 0.00 0.00 175.35 175.95 2d9y s ALA 14 N -1.79 -1.81 -0.12 3.13 0.00 -1.26 0.25 121.76 120.16 2d9y s ALA 14 Ca -0.09 2.21 -0.33 0.00 0.00 0.00 0.00 51.96 53.75 2d9y s ALA 14 Cb -0.02 -1.30 0.13 0.00 0.00 0.00 0.00 23.12 21.94 2d9y s ALA 14 CO 0.03 -0.36 1.28 0.20 0.00 0.00 0.00 175.76 176.91 2d9y s GLY 15 N 1.03 -0.35 -0.38 0.00 0.00 -0.05 -5.00 107.32 102.56 2d9y s GLY 15 Ca -0.05 1.21 -0.29 0.00 0.00 0.00 0.00 44.72 45.59 2d9y s GLY 15 CO -0.10 0.35 1.43 -0.98 0.00 0.00 0.00 173.10 173.80 2d9y s TRP 16 N -2.35 2.38 -0.02 1.90 0.52 -1.26 -1.59 118.94 118.52 2d9y s TRP 16 Ca 0.12 0.69 0.08 0.00 0.02 0.00 0.00 56.10 57.01 2d9y s TRP 16 Cb 0.02 -4.24 -0.02 0.00 -1.15 0.00 0.00 33.47 28.09 2d9y s TRP 16 CO -0.04 -2.06 -0.26 -0.51 0.02 0.00 0.00 176.95 174.10 2d9y s LEU 17 N 5.40 2.07 -0.27 2.99 1.43 -0.32 -4.83 118.68 125.15 2d9y s LEU 17 Ca 0.62 -0.47 -0.23 0.00 -1.03 0.00 0.00 54.13 53.02 2d9y s LEU 17 Cb -0.15 -1.34 -0.01 0.00 0.03 0.00 0.00 46.19 44.72 2d9y s LEU 17 CO 0.31 0.32 0.78 -0.36 0.23 0.00 0.00 176.35 177.63 2d9y s PHE 18 N -0.62 3.26 -0.22 0.29 0.40 -1.19 -1.92 117.98 117.98 2d9y s PHE 18 Ca 0.10 0.95 -0.15 0.00 -0.60 0.00 0.00 56.93 57.24 2d9y s PHE 18 Cb -0.10 -3.07 -0.04 0.00 0.51 0.00 0.00 43.02 40.31 2d9y s PHE 18 CO -0.01 -0.45 0.36 0.21 0.70 0.00 0.00 175.22 176.03 2d9y s LYS 19 N 2.82 4.12 0.66 0.44 2.20 -0.64 -2.60 119.74 126.76 2d9y s LYS 19 Ca 0.32 0.10 -0.17 0.00 -0.36 0.00 0.00 55.97 55.86 2d9y s LYS 19 Cb -0.15 -3.56 -0.00 0.00 -1.51 0.00 0.00 37.83 32.61 2d9y s LYS 19 CO 0.09 -0.08 1.27 -1.14 -0.36 0.00 0.00 175.35 175.14 2d9y s GLN 20 N 1.45 2.47 -0.68 4.03 2.00 -0.99 -2.05 119.66 125.89 2d9y s GLN 20 Ca 0.16 1.98 -0.21 0.00 -2.00 0.00 0.00 55.36 55.30 2d9y s GLN 20 Cb -0.15 -1.85 0.09 0.00 0.80 0.00 0.00 33.01 31.90 2d9y s GLN 20 CO 0.08 -1.64 0.91 0.00 -0.50 0.00 0.00 175.29 174.14 2d9y s ALA 21 N -1.54 3.23 0.13 1.58 0.00 -0.70 -4.88 121.76 119.59 2d9y s ALA 21 Ca 0.80 -2.08 -0.18 0.00 0.00 0.00 0.00 51.96 50.51 2d9y s ALA 21 Cb -0.35 -3.79 -0.03 0.00 0.00 0.00 0.00 23.12 18.94 2d9y s ALA 21 CO 0.40 -2.69 1.77 1.03 0.00 0.00 0.00 175.76 176.28 2d9y h SER 22 N 9.36 0.35 -3.36 0.00 0.87 -1.90 -3.41 113.55 115.45 2d9y h SER 22 Ca -0.23 -0.03 -0.63 0.00 -1.23 0.00 0.00 61.79 59.66 2d9y h SER 22 Cb 1.07 -0.09 -0.20 0.00 -0.44 0.00 0.00 62.40 62.74 2d9y h SER 22 CO 1.15 0.28 -0.63 -0.55 -0.53 0.00 0.00 176.83 176.55 2d9y s SER 23 N -5.50 5.08 0.00 6.23 0.15 -1.26 -5.00 113.70 113.39 2d9y s SER 23 Ca -0.13 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.43 2d9y s SER 23 Cb 0.09 -1.86 0.00 0.00 -1.71 0.00 0.00 66.02 62.55 2d9y s SER 23 CO 0.71 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.89 2d9y n GLY 24 N 3.81 -1.08 3.40 9.45 0.00 -1.26 -5.03 105.19 114.48 2d9y n GLY 24 Ca -0.17 -2.13 -0.32 0.00 0.00 0.00 0.00 46.02 43.40 2d9y n GLY 24 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2d9y n VAL 25 N 0.00 0.00 -2.85 1.61 3.14 -1.26 -4.86 118.33 114.10 2d9y n VAL 25 Ca 0.00 -0.23 -0.43 0.00 -2.96 0.00 0.00 64.34 60.72 2d9y n VAL 25 Cb 0.00 -0.68 -0.01 0.00 -1.06 0.00 0.00 33.84 32.08 2d9y n VAL 25 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2d9y s LYS 26 N -3.74 3.83 0.29 1.45 1.02 -1.26 -4.73 119.74 116.60 2d9y s LYS 26 Ca 0.58 -2.03 0.03 0.00 0.02 0.00 0.00 55.97 54.57 2d9y s LYS 26 Cb -0.19 -5.09 -0.04 0.00 -0.52 0.00 0.00 37.83 31.99 2d9y s LYS 26 CO 0.66 -1.87 0.17 1.14 -0.92 0.00 0.00 175.35 174.52 2d9y s GLN 27 N 2.69 1.53 -0.09 1.68 -2.07 -1.26 -5.03 119.66 117.11 2d9y s GLN 27 Ca 0.40 -1.86 0.04 0.00 -1.82 0.00 0.00 55.36 52.12 2d9y s GLN 27 Cb -0.02 0.03 0.00 0.00 -1.09 0.00 0.00 33.01 31.92 2d9y s GLN 27 CO -0.04 -0.46 -0.21 -1.58 -1.32 0.00 0.00 175.29 171.68 2d9y s TRP 28 N -3.70 2.25 -0.23 9.60 0.52 -1.26 -1.72 118.94 124.41 2d9y s TRP 28 Ca 0.37 -0.89 -0.06 0.00 0.02 0.00 0.00 56.10 55.54 2d9y s TRP 28 Cb 0.05 -1.53 -0.03 0.00 -1.15 0.00 0.00 33.47 30.82 2d9y s TRP 28 CO 0.18 -0.37 0.03 -0.80 0.02 0.00 0.00 176.95 176.01 2d9y s ASN 29 N 0.38 4.96 0.04 2.95 0.01 -0.87 -4.91 114.94 117.50 2d9y s ASN 29 Ca -0.17 -0.21 -0.30 0.00 -0.71 0.00 0.00 52.86 51.47 2d9y s ASN 29 Cb -0.17 -1.87 -0.07 0.00 0.41 0.00 0.00 41.25 39.55 2d9y s ASN 29 CO 0.07 0.01 1.49 -0.75 -1.51 0.00 0.00 177.10 176.41 2d9y s LYS 30 N 1.32 4.26 0.03 -0.60 2.20 -1.26 -1.61 119.74 124.08 2d9y s LYS 30 Ca 0.04 2.11 -0.05 0.00 -0.36 0.00 0.00 55.97 57.71 2d9y s LYS 30 Cb -0.15 -3.54 -0.01 0.00 -1.51 0.00 0.00 37.83 32.63 2d9y s LYS 30 CO 0.02 -0.61 0.10 0.50 -0.36 0.00 0.00 175.35 174.99 2d9y s ARG 31 N 2.31 0.57 -0.30 4.03 6.06 -0.81 -4.96 118.95 125.85 2d9y s ARG 31 Ca 0.67 -0.71 -0.26 0.00 -2.50 0.00 0.00 55.73 52.93 2d9y s ARG 31 Cb -0.35 0.22 0.01 0.00 0.06 0.00 0.00 34.95 34.89 2d9y s ARG 31 CO 0.29 -0.14 0.93 -0.46 -2.50 0.00 0.00 175.30 173.42 2d9y s TRP 32 N -2.44 3.19 -0.06 5.12 -0.11 -0.84 -1.18 118.94 122.62 2d9y s TRP 32 Ca -0.06 1.03 -0.00 0.00 1.22 0.00 0.00 56.10 58.28 2d9y s TRP 32 Cb -0.02 -3.41 -0.03 0.00 -1.50 0.00 0.00 33.47 28.50 2d9y s TRP 32 CO -0.04 -0.64 -0.02 -0.06 -4.62 0.00 0.00 176.95 171.58 2d9y s PHE 33 N 3.26 3.08 -0.22 5.86 0.40 -0.62 -0.81 117.98 128.93 2d9y s PHE 33 Ca 0.39 0.13 -0.04 0.00 -0.60 0.00 0.00 56.93 56.80 2d9y s PHE 33 Cb -0.13 -1.74 0.08 0.00 0.51 0.00 0.00 43.02 41.73 2d9y s PHE 33 CO 0.13 0.43 0.09 0.08 0.70 0.00 0.00 175.22 176.65 2d9y s VAL 34 N -0.90 0.10 -0.00 -0.44 1.01 0.11 -0.88 120.40 119.40 2d9y s VAL 34 Ca 0.14 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 2d9y s VAL 34 Cb -0.11 -0.87 -0.06 0.00 0.00 0.00 0.00 36.38 35.34 2d9y s VAL 34 CO 0.04 -0.44 1.53 -0.22 0.00 0.00 0.00 175.10 176.01 2d9y s LEU 35 N 2.03 4.33 0.00 3.92 2.96 0.14 -1.49 118.68 130.57 2d9y s LEU 35 Ca 0.04 2.23 0.01 0.00 -0.22 0.00 0.00 54.13 56.20 2d9y s LEU 35 Cb -0.16 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 42.98 2d9y s LEU 35 CO -0.19 -0.82 0.09 0.55 -1.32 0.00 0.00 176.35 174.66 2d9y n VAL 36 N 4.92 0.00 -1.55 1.68 3.14 0.19 -3.11 118.33 123.61 2d9y n VAL 36 Ca 0.15 -1.81 -0.55 0.00 -2.96 0.00 0.00 64.34 59.17 2d9y n VAL 36 Cb 0.43 0.23 -0.08 0.00 -1.06 0.00 0.00 33.84 33.36 2d9y n VAL 36 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 2d9y n ASP 37 N -1.41 2.09 -2.38 6.55 5.75 -1.26 -1.01 116.55 124.88 2d9y n ASP 37 Ca -0.12 0.77 -0.05 0.00 -0.01 0.00 0.00 54.79 55.38 2d9y n ASP 37 Cb 0.49 -1.16 -0.01 0.00 -1.03 0.00 0.00 41.12 39.42 2d9y n ASP 37 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2d9y n ARG 38 N 6.77 -2.36 -3.96 0.11 1.74 -1.26 -4.77 116.66 112.93 2d9y n ARG 38 Ca 0.36 0.02 -0.11 0.00 -0.77 0.00 0.00 57.85 57.35 2d9y n ARG 38 Cb 0.15 -3.67 -0.02 0.00 -1.02 0.00 0.00 32.46 27.89 2d9y n ARG 38 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2d9y s LEU 40 N -3.10 -0.25 0.19 0.00 2.96 -0.73 0.55 118.68 118.30 2d9y s LEU 40 Ca 0.22 0.85 0.09 0.00 -0.22 0.00 0.00 54.13 55.07 2d9y s LEU 40 Cb -0.02 1.20 -0.04 0.00 0.50 0.00 0.00 46.19 47.82 2d9y s LEU 40 CO 0.14 -0.21 -0.07 -0.36 -1.32 0.00 0.00 176.35 174.52 2d9y s PHE 41 N 1.92 2.66 0.01 5.38 0.08 -0.56 -0.95 117.98 126.52 2d9y s PHE 41 Ca -0.06 -0.21 0.00 0.00 0.12 0.00 0.00 56.93 56.79 2d9y s PHE 41 Cb -0.10 -1.28 -0.01 0.00 -0.57 0.00 0.00 43.02 41.06 2d9y s PHE 41 CO -0.12 0.53 -0.02 1.52 -0.10 0.00 0.00 175.22 177.03 2d9y s TYR 42 N -1.79 0.15 0.10 0.36 -0.85 -1.23 0.05 117.35 114.14 2d9y s TYR 42 Ca 0.26 -0.16 0.05 0.00 -0.52 0.00 0.00 57.07 56.70 2d9y s TYR 42 Cb -0.09 -0.10 -0.03 0.00 0.38 0.00 0.00 41.96 42.12 2d9y s TYR 42 CO 0.16 -0.05 -0.13 0.71 -1.52 0.00 0.00 175.55 174.72 2d9y s TYR 43 N -0.43 1.24 0.32 -3.49 1.51 0.01 -3.26 117.35 113.26 2d9y s TYR 43 Ca -0.04 -0.57 0.09 0.00 -1.01 0.00 0.00 57.07 55.55 2d9y s TYR 43 Cb -0.03 -0.67 0.96 0.00 -0.11 0.00 0.00 41.96 42.11 2d9y s TYR 43 CO -0.00 0.08 1.61 0.87 -1.11 0.00 0.00 175.55 176.99 2d9y h LYS 44 N 3.71 0.11 0.00 -0.62 1.57 -1.87 -2.24 116.57 117.24 2d9y h LYS 44 Ca -0.39 -0.01 -0.21 0.00 -1.87 0.00 0.00 60.65 58.18 2d9y h LYS 44 Cb 1.19 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.43 2d9y h LYS 44 CO 0.49 0.08 -0.03 -0.25 -0.57 0.00 0.00 179.45 179.16 2d9y n ASP 45 N -5.28 -1.55 0.27 0.86 9.92 -1.26 -4.30 116.55 115.21 2d9y n ASP 45 Ca 0.28 -2.75 0.16 0.00 -0.53 0.00 0.00 54.79 51.96 2d9y n ASP 45 Cb 0.92 2.78 0.87 0.00 -0.64 0.00 0.00 41.12 45.05 2d9y n ASP 45 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 2d9y h GLU 46 N 0.00 0.00 -0.65 -1.24 9.09 -1.94 -1.37 114.58 118.48 2d9y h GLU 46 Ca -0.28 0.00 0.03 0.00 0.05 0.00 0.00 59.36 59.16 2d9y h GLU 46 Cb 1.16 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.22 2d9y h GLU 46 CO 0.37 0.00 0.43 0.87 0.05 0.00 0.00 179.01 180.73 2d9y h LYS 47 N 0.00 0.75 -6.09 1.06 1.57 -1.94 -3.46 116.57 108.46 2d9y h LYS 47 Ca 0.00 -0.05 -0.43 0.00 -1.87 0.00 0.00 60.65 58.30 2d9y h LYS 47 Cb 0.18 -0.17 0.04 0.00 0.08 0.00 0.00 32.23 32.36 2d9y h LYS 47 CO 0.00 0.50 -0.75 0.39 -0.57 0.00 0.00 179.45 179.02 2d9y n GLU 48 N -4.46 -6.17 -0.01 3.15 1.02 -0.52 -4.89 120.64 108.76 2d9y n GLU 48 Ca 0.08 0.68 -0.09 0.00 -0.02 0.00 0.00 57.16 57.81 2d9y n GLU 48 Cb 0.12 -5.57 -0.03 0.00 -0.02 0.00 0.00 31.44 25.94 2d9y n GLU 48 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2d9y h GLU 49 N -2.20 -0.14 -2.55 3.49 5.08 -1.90 -3.44 114.58 112.93 2d9y h GLU 49 Ca -0.58 0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 57.69 2d9y h GLU 49 Cb 1.37 0.03 -0.23 0.00 0.50 0.00 0.00 28.75 30.42 2d9y h GLU 49 CO 0.61 -0.09 -0.15 -1.12 -1.00 0.00 0.00 179.01 177.26 2d9y s SER 50 N -5.09 -0.52 0.19 1.42 0.01 -1.26 -5.14 113.70 103.31 2d9y s SER 50 Ca -0.14 0.99 -0.31 0.00 1.31 0.00 0.00 55.95 57.80 2d9y s SER 50 Cb 0.10 0.99 -0.10 0.00 0.21 0.00 0.00 66.02 67.23 2d9y s SER 50 CO 0.68 -0.17 1.48 -0.63 0.41 0.00 0.00 173.24 175.01 2d9y s ILE 51 N 0.38 2.75 -0.22 1.44 1.01 -1.26 -4.66 121.20 120.63 2d9y s ILE 51 Ca -0.01 0.57 -0.07 0.00 0.00 0.00 0.00 60.65 61.14 2d9y s ILE 51 Cb -0.04 -3.37 -0.18 0.00 0.01 0.00 0.00 42.46 38.88 2d9y s ILE 51 CO -0.01 0.06 -0.05 0.18 0.00 0.00 0.00 174.94 175.13 2d9y n LEU 52 N 3.26 2.49 -3.73 2.97 4.77 -1.20 -5.02 117.00 120.53 2d9y n LEU 52 Ca 0.10 0.14 -0.14 0.00 -0.03 0.00 0.00 56.01 56.09 2d9y n LEU 52 Cb 0.40 -0.95 -0.08 0.00 -2.33 0.00 0.00 43.42 40.46 2d9y n LEU 52 CO 0.61 0.74 0.07 -0.83 -1.33 0.00 0.00 177.39 176.64 2d9y s GLY 53 N -5.80 -0.20 -0.13 -0.72 0.00 -1.26 -5.10 107.32 94.11 2d9y s GLY 53 Ca -0.32 0.40 0.02 0.00 0.00 0.00 0.00 44.72 44.83 2d9y s GLY 53 CO 0.61 0.18 -0.21 -1.35 0.00 0.00 0.00 173.10 172.33 2d9y s SER 54 N -1.39 3.23 -0.43 1.64 1.04 -1.26 -3.56 113.70 112.96 2d9y s SER 54 Ca -0.12 -0.56 -0.11 0.00 0.48 0.00 0.00 55.95 55.64 2d9y s SER 54 Cb -0.04 -1.46 0.08 0.00 0.10 0.00 0.00 66.02 64.69 2d9y s SER 54 CO 0.04 0.11 0.30 -0.63 0.98 0.00 0.00 173.24 174.04 2d9y s ILE 55 N 0.65 4.53 -0.59 -1.02 1.01 -0.12 -5.00 121.20 120.65 2d9y s ILE 55 Ca -0.11 -1.30 -0.27 0.00 0.00 0.00 0.00 60.65 58.98 2d9y s ILE 55 Cb -0.16 -3.75 -0.02 0.00 0.01 0.00 0.00 42.46 38.54 2d9y s ILE 55 CO 0.02 -0.53 1.84 -2.16 0.00 0.00 0.00 174.94 174.12 2d9y s PRO 56 N 1.49 2.69 -0.49 2.79 0.04 -1.26 -1.77 135.00 138.49 2d9y s PRO 56 Ca 0.03 0.66 -0.02 0.00 0.04 0.00 0.00 61.00 61.72 2d9y s PRO 56 Cb -0.23 -4.37 0.26 0.00 0.04 0.00 0.00 34.50 30.20 2d9y s PRO 56 CO 0.03 -2.65 2.17 1.28 0.04 0.00 0.00 177.00 177.87 2d9y n LEU 57 N 12.50 6.92 0.30 -3.56 4.77 -1.12 -4.66 117.00 132.14 2d9y n LEU 57 Ca 0.20 -3.86 -0.12 0.00 -0.03 0.00 0.00 56.01 52.20 2d9y n LEU 57 Cb 0.52 -1.07 -0.06 0.00 -2.33 0.00 0.00 43.42 40.48 2d9y n LEU 57 CO 0.71 1.44 0.52 0.25 -1.33 0.00 0.00 177.39 178.98 2d9y h LEU 58 N 2.68 -0.71 -4.59 2.23 5.85 -1.83 -3.16 115.31 115.78 2d9y h LEU 58 Ca 0.42 0.03 -0.37 0.00 0.84 0.00 0.00 57.88 58.81 2d9y h LEU 58 Cb 0.77 0.19 -0.40 0.00 0.37 0.00 0.00 40.66 41.59 2d9y h LEU 58 CO 1.08 -0.48 -0.98 -1.20 -0.34 0.00 0.00 178.44 176.52 2d9y n SER 59 N -4.20 3.02 -4.86 1.25 7.64 -1.25 -4.19 113.62 111.03 2d9y n SER 59 Ca -0.10 -2.81 -0.31 0.00 1.01 0.00 0.00 58.87 56.67 2d9y n SER 59 Cb 0.31 -0.42 0.03 0.00 -1.01 0.00 0.00 64.21 63.13 2d9y n SER 59 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2d9y s PHE 60 N -3.62 3.39 -0.51 1.43 0.40 -1.26 -4.73 117.98 113.07 2d9y s PHE 60 Ca 0.38 1.22 -0.01 0.00 -0.60 0.00 0.00 56.93 57.92 2d9y s PHE 60 Cb 0.36 -2.89 0.13 0.00 0.51 0.00 0.00 43.02 41.13 2d9y s PHE 60 CO -0.01 -1.02 0.30 0.50 0.70 0.00 0.00 175.22 175.68 2d9y s ARG 61 N -5.22 2.17 -0.16 0.44 3.52 -1.09 -4.67 118.95 113.94 2d9y s ARG 61 Ca 0.57 -2.29 -0.15 0.00 -0.13 0.00 0.00 55.73 53.73 2d9y s ARG 61 Cb -0.12 -3.55 -0.04 0.00 -1.56 0.00 0.00 34.95 29.68 2d9y s ARG 61 CO 0.53 -1.11 0.32 0.08 -0.81 0.00 0.00 175.30 174.32 2d9y s VAL 62 N 0.31 5.28 -0.19 7.11 1.01 -1.26 -2.71 120.40 129.96 2d9y s VAL 62 Ca 0.14 0.61 -0.30 0.00 0.00 0.00 0.00 61.98 62.42 2d9y s VAL 62 Cb -0.22 -3.66 0.14 0.00 0.00 0.00 0.00 36.38 32.64 2d9y s VAL 62 CO -0.03 0.36 1.11 0.00 0.00 0.00 0.00 175.10 176.54 2d9y s ALA 63 N 0.60 -1.99 0.40 5.51 0.00 -0.76 -4.72 121.76 120.80 2d9y s ALA 63 Ca 0.18 1.63 -0.14 0.00 0.00 0.00 0.00 51.96 53.63 2d9y s ALA 63 Cb -0.13 -0.77 -0.12 0.00 0.00 0.00 0.00 23.12 22.09 2d9y s ALA 63 CO 0.05 -0.35 -0.11 0.00 0.00 0.00 0.00 175.76 175.35 2d9y n ALA 64 N 0.49 -2.78 -0.64 0.00 0.00 -1.26 -0.89 120.51 115.43 2d9y n ALA 64 Ca -0.06 -0.05 -0.29 0.00 0.00 0.00 0.00 53.44 53.05 2d9y n ALA 64 Cb 0.58 -1.09 0.25 0.00 0.00 0.00 0.00 19.45 19.19 2d9y n ALA 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2d9y s VAL 65 N -1.56 1.89 0.16 0.00 -7.23 0.27 -4.31 120.40 109.62 2d9y s VAL 65 Ca 0.44 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.63 2d9y s VAL 65 Cb -0.38 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 2d9y s VAL 65 CO 0.52 0.00 0.31 -1.10 -0.31 0.00 0.00 175.10 174.51 2d9y s GLN 66 N -4.65 3.45 0.00 4.82 -0.21 -1.26 -4.96 119.66 116.86 2d9y s GLN 66 Ca 0.68 -0.56 0.15 0.00 0.02 0.00 0.00 55.36 55.65 2d9y s GLN 66 Cb -0.22 -2.94 0.85 0.00 1.00 0.00 0.00 33.01 31.70 2d9y s GLN 66 CO 0.63 0.49 1.37 -0.35 -2.12 0.00 0.00 175.29 175.31 2d9y n PRO 67 N -0.62 0.36 -0.35 2.91 -0.04 -1.26 -2.01 135.00 133.99 2d9y n PRO 67 Ca -0.07 0.07 0.08 0.00 -0.04 0.00 0.00 63.50 63.54 2d9y n PRO 67 Cb 0.54 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.72 2d9y n PRO 67 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2d9y n SER 68 N -1.13 3.55 -0.07 3.54 3.41 -1.26 -4.55 113.62 117.10 2d9y n SER 68 Ca 0.10 -2.75 -0.22 0.00 -0.26 0.00 0.00 58.87 55.74 2d9y n SER 68 Cb 0.08 -0.45 -0.12 0.00 -0.26 0.00 0.00 64.21 63.46 2d9y n SER 68 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2d9y n ASP 69 N -0.29 2.01 -1.79 4.04 8.00 -0.85 -5.04 116.55 122.64 2d9y n ASP 69 Ca 0.18 0.17 -0.05 0.00 0.71 0.00 0.00 54.79 55.81 2d9y n ASP 69 Cb 0.75 -0.75 0.02 0.00 -0.02 0.00 0.00 41.12 41.12 2d9y n ASP 69 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2d9y n ASN 70 N -3.72 -2.36 -4.42 -2.24 2.85 -1.26 -5.01 115.26 99.11 2d9y n ASN 70 Ca -0.39 -0.19 -0.44 0.00 -0.11 0.00 0.00 54.58 53.45 2d9y n ASN 70 Cb 0.94 -1.86 -0.07 0.00 1.24 0.00 0.00 39.78 40.03 2d9y n ASN 70 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2d9y s ILE 71 N -3.11 5.05 0.35 -1.44 1.01 -1.26 -4.93 121.20 116.86 2d9y s ILE 71 Ca 0.04 -0.78 0.15 0.00 0.00 0.00 0.00 60.65 60.06 2d9y s ILE 71 Cb -0.00 -4.22 0.33 0.00 0.01 0.00 0.00 42.46 38.58 2d9y s ILE 71 CO 0.21 -0.70 1.66 0.28 0.00 0.00 0.00 174.94 176.39 2d9y h SER 72 N 8.88 0.50 -3.67 3.58 0.02 -2.02 -3.39 113.55 117.45 2d9y h SER 72 Ca -0.28 0.19 -0.52 0.00 -0.84 0.00 0.00 61.79 60.34 2d9y h SER 72 Cb 1.10 0.14 0.05 0.00 0.14 0.00 0.00 62.40 63.83 2d9y h SER 72 CO 0.93 -0.15 0.63 -0.13 -1.14 0.00 0.00 176.83 176.97 2d9y s ARG 73 N -5.64 4.40 0.56 3.45 0.52 -1.26 -5.03 118.95 115.94 2d9y s ARG 73 Ca -0.10 2.11 -0.02 0.00 -0.52 0.00 0.00 55.73 57.21 2d9y s ARG 73 Cb 0.30 -3.13 0.11 0.00 0.52 0.00 0.00 34.95 32.76 2d9y s ARG 73 CO 0.79 -0.17 0.77 1.63 0.02 0.00 0.00 175.30 178.34 2d9y n LYS 74 N 1.56 -0.05 -3.80 3.54 5.02 -1.26 -4.40 118.16 118.76 2d9y n LYS 74 Ca 0.02 -1.94 -0.29 0.00 -2.02 0.00 0.00 58.31 54.08 2d9y n LYS 74 Cb 0.42 -0.56 -0.06 0.00 -0.02 0.00 0.00 35.03 34.81 2d9y n LYS 74 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2d9y n HIS 75 N -2.58 -0.89 -4.31 2.13 8.25 -1.26 -4.12 115.22 112.44 2d9y n HIS 75 Ca 0.12 0.49 -0.34 0.00 -0.26 0.00 0.00 57.72 57.74 2d9y n HIS 75 Cb 0.43 -1.63 -0.09 0.00 1.12 0.00 0.00 29.99 29.82 2d9y n HIS 75 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2d9y s THR 76 N -3.15 4.31 0.20 1.59 2.01 -1.26 -1.93 115.64 117.41 2d9y s THR 76 Ca 0.41 -0.39 0.08 0.00 0.31 0.00 0.00 61.69 62.10 2d9y s THR 76 Cb -0.24 -2.87 -0.05 0.00 0.01 0.00 0.00 72.50 69.36 2d9y s THR 76 CO 0.76 0.49 -0.16 0.72 -0.69 0.00 0.00 174.62 175.75 2d9y s PHE 77 N -0.99 1.77 0.11 4.92 -0.71 0.16 -0.56 117.98 122.68 2d9y s PHE 77 Ca 0.17 -0.53 0.08 0.00 -1.04 0.00 0.00 56.93 55.61 2d9y s PHE 77 Cb -0.11 -0.83 -0.04 0.00 -1.21 0.00 0.00 43.02 40.82 2d9y s PHE 77 CO 0.06 0.37 -0.15 -1.59 -1.34 0.00 0.00 175.22 172.58 2d9y s LYS 78 N -3.39 1.91 -0.24 1.99 -2.85 -0.07 -1.28 119.74 115.82 2d9y s LYS 78 Ca 0.21 -1.13 -0.01 0.00 -1.00 0.00 0.00 55.97 54.04 2d9y s LYS 78 Cb -0.02 -2.18 0.07 0.00 -2.06 0.00 0.00 37.83 33.63 2d9y s LYS 78 CO 0.07 0.49 0.01 0.00 0.10 0.00 0.00 175.35 176.02 2d9y s ALA 79 N -1.19 1.57 -0.05 0.59 0.00 -0.23 -1.82 121.76 120.63 2d9y s ALA 79 Ca 0.19 -1.23 -0.02 0.00 0.00 0.00 0.00 51.96 50.91 2d9y s ALA 79 Cb -0.11 -1.40 0.04 0.00 0.00 0.00 0.00 23.12 21.65 2d9y s ALA 79 CO 0.12 -1.30 0.09 -2.00 0.00 0.00 0.00 175.76 172.66 2d9y s GLU 80 N 1.59 -0.02 0.00 0.00 2.12 -1.10 -0.76 118.70 120.53 2d9y s GLU 80 Ca -0.00 0.37 0.00 0.00 0.36 0.00 0.00 54.97 55.70 2d9y s GLU 80 Cb -0.18 -0.34 0.00 0.00 0.26 0.00 0.00 34.13 33.87 2d9y s GLU 80 CO -0.11 -0.26 0.17 1.58 -0.54 0.00 0.00 175.26 176.11 2d9y n HIS 81 N 4.84 0.00 -3.16 5.30 -0.00 -1.26 -2.66 115.22 118.29 2d9y n HIS 81 Ca -0.14 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.64 2d9y n HIS 81 Cb 0.50 -0.24 -0.02 0.00 -0.00 0.00 0.00 29.99 30.24 2d9y n HIS 81 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2d9y s ALA 82 N -3.28 -3.57 -1.50 1.57 0.00 -1.26 -4.68 121.76 109.05 2d9y s ALA 82 Ca 0.00 1.41 -0.12 0.00 0.00 0.00 0.00 51.96 53.24 2d9y s ALA 82 Cb 0.00 -2.52 0.08 0.00 0.00 0.00 0.00 23.12 20.68 2d9y s ALA 82 CO 0.00 -1.44 0.89 0.41 0.00 0.00 0.00 175.76 175.62 2d9y n GLY 83 N 5.44 -0.50 1.06 0.00 0.00 -1.26 -4.85 105.19 105.07 2d9y n GLY 83 Ca -0.08 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2d9y n GLY 83 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2d9y n VAL 84 N -4.58 0.00 -3.53 1.61 0.31 -1.26 -5.16 118.33 105.72 2d9y n VAL 84 Ca 0.02 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.26 2d9y n VAL 84 Cb 0.53 -0.69 -0.03 0.00 -0.91 0.00 0.00 33.84 32.74 2d9y n VAL 84 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2d9y s ARG 85 N -0.84 0.74 -0.27 5.55 3.52 -1.26 -5.09 118.95 121.30 2d9y s ARG 85 Ca 0.00 -0.09 0.02 0.00 -0.13 0.00 0.00 55.73 55.53 2d9y s ARG 85 Cb 0.00 0.34 0.07 0.00 -1.56 0.00 0.00 34.95 33.80 2d9y s ARG 85 CO 0.00 -0.29 -0.05 0.99 -0.81 0.00 0.00 175.30 175.14 2d9y s THR 86 N -2.20 1.92 0.44 4.11 2.01 -1.26 -4.05 115.64 116.60 2d9y s THR 86 Ca 0.01 -1.62 -0.09 0.00 0.31 0.00 0.00 61.69 60.31 2d9y s THR 86 Cb -0.01 -2.16 -0.05 0.00 0.01 0.00 0.00 72.50 70.28 2d9y s THR 86 CO -0.04 -0.19 0.78 -0.31 -0.69 0.00 0.00 174.62 174.18 2d9y s TYR 87 N 1.19 3.51 -0.11 4.92 1.51 0.06 -4.84 117.35 123.59 2d9y s TYR 87 Ca -0.03 0.98 -0.01 0.00 -1.01 0.00 0.00 57.07 57.00 2d9y s TYR 87 Cb -0.19 -2.41 0.03 0.00 -0.11 0.00 0.00 41.96 39.28 2d9y s TYR 87 CO -0.07 -0.18 -0.06 -0.06 -1.11 0.00 0.00 175.55 174.07 2d9y s PHE 88 N -2.52 1.30 -0.10 2.71 0.08 -1.26 -1.07 117.98 117.12 2d9y s PHE 88 Ca 0.50 -0.62 0.03 0.00 0.12 0.00 0.00 56.93 56.96 2d9y s PHE 88 Cb -0.10 -1.13 0.01 0.00 -0.57 0.00 0.00 43.02 41.22 2d9y s PHE 88 CO 0.36 -0.48 -0.21 -0.06 -0.10 0.00 0.00 175.22 174.74 2d9y s PHE 89 N 1.77 2.29 -0.12 0.36 0.08 -0.40 -2.34 117.98 119.62 2d9y s PHE 89 Ca 0.05 -0.96 -0.01 0.00 0.12 0.00 0.00 56.93 56.12 2d9y s PHE 89 Cb -0.13 -1.56 -0.03 0.00 -0.57 0.00 0.00 43.02 40.74 2d9y s PHE 89 CO -0.08 -0.42 -0.07 0.45 -0.10 0.00 0.00 175.22 175.01 2d9y s SER 90 N 0.51 4.56 -0.14 1.36 0.15 -1.07 -0.66 113.70 118.42 2d9y s SER 90 Ca -0.16 -0.14 -0.05 0.00 0.70 0.00 0.00 55.95 56.31 2d9y s SER 90 Cb -0.17 -1.54 -0.04 0.00 -1.71 0.00 0.00 66.02 62.57 2d9y s SER 90 CO 0.06 0.23 0.03 0.00 1.20 0.00 0.00 173.24 174.76 2d9y s ALA 91 N -0.03 3.31 0.27 5.45 0.00 -0.81 -3.20 121.76 126.75 2d9y s ALA 91 Ca -0.00 -0.77 -0.01 0.00 0.00 0.00 0.00 51.96 51.17 2d9y s ALA 91 Cb -0.13 -1.70 0.46 0.00 0.00 0.00 0.00 23.12 21.75 2d9y s ALA 91 CO 0.03 0.35 1.87 0.93 0.00 0.00 0.00 175.76 178.94 2d9y h GLU 92 N 6.07 1.08 -6.68 0.00 5.08 -1.89 -3.42 114.58 114.82 2d9y h GLU 92 Ca -0.41 -0.07 -0.66 0.00 -1.00 0.00 0.00 59.36 57.22 2d9y h GLU 92 Cb 1.18 -0.24 -0.19 0.00 0.50 0.00 0.00 28.75 30.01 2d9y h GLU 92 CO 0.63 0.72 -0.81 -1.12 -1.00 0.00 0.00 179.01 177.43 2d9y s SER 93 N -5.84 3.71 0.34 1.42 0.01 -1.26 -5.02 113.70 107.06 2d9y s SER 93 Ca -0.12 -0.69 0.27 0.00 1.31 0.00 0.00 55.95 56.72 2d9y s SER 93 Cb 0.21 -0.43 1.11 0.00 0.21 0.00 0.00 66.02 67.12 2d9y s SER 93 CO 0.81 0.15 1.79 1.55 0.41 0.00 0.00 173.24 177.95 2d9y h PRO 94 N 3.47 0.00 0.01 12.44 0.13 -1.94 -2.75 132.00 143.37 2d9y h PRO 94 Ca -0.49 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.44 2d9y h PRO 94 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2d9y h PRO 94 CO 0.46 0.00 -0.96 1.05 -0.23 0.00 0.00 178.00 178.32 2d9y h GLU 95 N 0.00 0.05 0.13 0.86 4.11 -1.96 -3.30 114.58 114.47 2d9y h GLU 95 Ca 0.00 -0.07 -0.30 0.00 0.07 0.00 0.00 59.36 59.06 2d9y h GLU 95 Cb 0.40 0.02 0.03 0.00 0.50 0.00 0.00 28.75 29.70 2d9y h GLU 95 CO 0.00 0.97 -1.24 0.93 0.07 0.00 0.00 179.01 179.74 2d9y h GLU 96 N 0.02 0.61 -0.34 1.06 5.08 -1.89 -3.06 114.58 116.06 2d9y h GLU 96 Ca -0.03 -0.83 0.07 0.00 -1.00 0.00 0.00 59.36 57.57 2d9y h GLU 96 Cb 1.68 0.28 -0.09 0.00 0.50 0.00 0.00 28.75 31.12 2d9y h GLU 96 CO 0.13 1.38 -0.35 0.37 -1.00 0.00 0.00 179.01 179.55 2d9y h GLN 97 N 0.25 -0.29 0.51 2.33 4.15 -1.61 -0.18 115.11 120.27 2d9y h GLN 97 Ca -0.19 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.22 2d9y h GLN 97 Cb 1.92 0.07 0.00 0.00 0.21 0.00 0.00 27.48 29.68 2d9y h GLN 97 CO 0.24 -0.19 -0.24 0.93 -1.93 0.00 0.00 178.83 177.63 2d9y h GLU 98 N -0.30 -0.66 -0.89 1.69 4.39 -1.68 -1.58 114.58 115.55 2d9y h GLU 98 Ca 0.15 0.04 0.23 0.00 0.34 0.00 0.00 59.36 60.12 2d9y h GLU 98 Cb 0.55 0.15 -0.16 0.00 -0.10 0.00 0.00 28.75 29.19 2d9y h GLU 98 CO -0.51 -0.40 0.03 0.00 -1.16 0.00 0.00 179.01 176.98 2d9y h ALA 99 N -0.31 1.02 0.33 3.43 0.00 -1.35 -1.37 119.26 121.01 2d9y h ALA 99 Ca -0.07 0.29 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2d9y h ALA 99 Cb 0.56 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2d9y h ALA 99 CO 0.11 -0.50 -0.16 -1.49 0.00 0.00 0.00 179.25 177.22 2d9y h TRP 100 N 0.07 -0.41 -0.82 0.00 4.06 -0.88 0.18 115.95 118.15 2d9y h TRP 100 Ca 0.52 -0.01 0.33 0.00 2.06 0.00 0.00 58.89 61.79 2d9y h TRP 100 Cb 1.02 0.14 -0.13 0.00 -1.00 0.00 0.00 29.16 29.18 2d9y h TRP 100 CO -0.45 -0.25 0.47 -0.89 -3.56 0.00 0.00 178.44 173.75 2d9y n ILE 101 N -3.59 -0.29 -0.03 1.49 5.41 -0.61 0.12 119.36 121.87 2d9y n ILE 101 Ca -0.05 1.49 -0.16 0.00 1.00 0.00 0.00 62.75 65.03 2d9y n ILE 101 Cb 0.17 -2.42 -0.13 0.00 -0.71 0.00 0.00 39.64 36.55 2d9y n ILE 101 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 2d9y h GLN 102 N 0.00 0.09 0.42 0.38 4.20 -1.22 0.13 115.11 119.11 2d9y h GLN 102 Ca 0.65 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 59.19 2d9y h GLN 102 Cb 1.80 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.62 2d9y h GLN 102 CO -0.52 1.05 -0.30 0.00 -0.67 0.00 0.00 178.83 178.39 2d9y h ALA 103 N 0.06 -0.71 -0.07 3.87 0.00 0.31 0.59 119.26 123.31 2d9y h ALA 103 Ca -0.04 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 2d9y h ALA 103 Cb 1.16 0.38 0.01 0.00 0.00 0.00 0.00 17.79 19.34 2d9y h ALA 103 CO 0.04 -0.92 -0.62 0.00 0.00 0.00 0.00 179.25 177.76 2d9y h MET 104 N -0.70 0.54 -0.04 0.00 -0.00 -0.40 -3.17 114.93 111.17 2d9y h MET 104 Ca -0.04 -0.49 0.03 0.00 -0.00 0.00 0.00 59.70 59.20 2d9y h MET 104 Cb 0.59 0.12 -0.04 0.00 -0.00 0.00 0.00 31.60 32.26 2d9y h MET 104 CO 0.02 1.12 -0.22 0.78 -0.00 0.00 0.00 176.91 178.61 2d9y h GLY 105 N 0.14 -0.29 0.35 -3.00 0.00 -0.71 -2.19 103.07 97.37 2d9y h GLY 105 Ca -0.06 0.27 0.12 0.00 0.00 0.00 0.00 47.33 47.66 2d9y h GLY 105 CO 0.13 -0.19 0.40 1.05 0.00 0.00 0.00 176.54 177.92 2d9y h GLU 106 N -0.33 0.61 -0.53 4.80 4.11 -0.98 0.12 114.58 122.38 2d9y h GLU 106 Ca 0.07 -0.04 0.15 0.00 0.07 0.00 0.00 59.36 59.62 2d9y h GLU 106 Cb 0.43 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2d9y h GLU 106 CO -0.23 0.40 0.51 0.00 0.07 0.00 0.00 179.01 179.76 2d9y h ALA 107 N 1.50 2.30 0.06 1.06 0.00 -1.36 0.78 119.26 123.60 2d9y h ALA 107 Ca 0.41 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 55.05 2d9y h ALA 107 Cb 0.51 0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.36 2d9y h ALA 107 CO -0.32 -0.78 -1.00 0.00 0.00 0.00 0.00 179.25 177.15 2d9y h ALA 108 N 1.48 0.05 -2.20 0.00 0.00 -0.64 -3.42 119.26 114.53 2d9y h ALA 108 Ca 0.25 -0.70 -0.54 0.00 0.00 0.00 0.00 54.91 53.92 2d9y h ALA 108 Cb 1.27 0.08 0.21 0.00 0.00 0.00 0.00 17.79 19.35 2d9y h ALA 108 CO -0.00 0.58 -0.80 0.54 0.00 0.00 0.00 179.25 179.58 2d9y n ARG 109 N -3.94 -0.07 -3.87 0.00 3.00 0.27 -3.91 116.66 108.13 2d9y n ARG 109 Ca -0.12 0.01 -0.30 0.00 -0.01 0.00 0.00 57.85 57.44 2d9y n ARG 109 Cb 0.87 -1.66 -0.16 0.00 0.00 0.00 0.00 32.46 31.52 2d9y n ARG 109 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2d9y s VAL 110 N -2.18 1.28 -1.09 1.55 1.01 -1.26 -4.79 120.40 114.92 2d9y s VAL 110 Ca 0.56 -1.19 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 2d9y s VAL 110 Cb -0.25 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.45 2d9y s VAL 110 CO 0.68 -0.24 0.94 1.67 0.00 0.00 0.00 175.10 178.14 2d9y n GLN 111 N 4.75 -6.26 -0.02 2.72 7.27 -1.26 -4.95 117.38 119.63 2d9y n GLN 111 Ca -0.09 0.71 -0.18 0.00 0.07 0.00 0.00 57.00 57.51 2d9y n GLN 111 Cb 0.44 -5.35 -0.13 0.00 2.41 0.00 0.00 30.24 27.60 2d9y n GLN 111 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2d9y h SER 112 N -2.00 0.21 -3.29 1.69 4.64 -1.95 -3.45 113.55 109.39 2d9y h SER 112 Ca -0.49 -0.90 -0.54 0.00 -0.47 0.00 0.00 61.79 59.40 2d9y h SER 112 Cb 1.30 -0.07 -0.35 0.00 -0.31 0.00 0.00 62.40 62.97 2d9y h SER 112 CO 0.45 1.29 -0.81 -0.83 -0.87 0.00 0.00 176.83 176.05 2d9y s GLY 113 N -4.49 0.86 0.12 -0.77 0.00 -1.26 -5.12 107.32 96.67 2d9y s GLY 113 Ca -0.19 -0.54 -0.31 0.00 0.00 0.00 0.00 44.72 43.68 2d9y s GLY 113 CO 0.73 0.41 1.36 2.56 0.00 0.00 0.00 173.10 178.16 2d9y s PRO 114 N 1.14 4.34 -0.03 2.90 0.04 -1.26 -4.96 135.00 137.17 2d9y s PRO 114 Ca -0.05 2.04 -0.22 0.00 0.04 0.00 0.00 61.00 62.81 2d9y s PRO 114 Cb -0.14 -3.25 -0.16 0.00 0.04 0.00 0.00 34.50 30.99 2d9y s PRO 114 CO -0.02 -0.39 0.97 1.03 0.04 0.00 0.00 177.00 178.63 2d9y h SER 115 N 6.55 -0.24 -2.85 6.66 0.87 -2.02 -3.45 113.55 119.07 2d9y h SER 115 Ca -0.42 -0.29 -0.13 0.00 -1.23 0.00 0.00 61.79 59.71 2d9y h SER 115 Cb 1.21 0.06 -0.28 0.00 -0.44 0.00 0.00 62.40 62.95 2d9y h SER 115 CO 0.84 0.26 -0.39 -0.94 -0.53 0.00 0.00 176.83 176.08 2d9y s SER 116 N -5.35 -0.21 0.00 6.23 1.04 -1.26 -5.33 113.70 108.82 2d9y s SER 116 Ca -0.13 0.85 0.00 0.00 0.48 0.00 0.00 55.95 57.15 2d9y s SER 116 Cb 0.01 0.98 0.00 0.00 0.10 0.00 0.00 66.02 67.11 2d9y s SER 116 CO 0.49 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.10