#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dic s SER 2 N 0.00 6.35 -0.70 1.61 1.04 -1.26 -5.00 113.70 115.74 2dic s SER 2 Ca 0.00 0.85 -0.02 0.00 0.48 0.00 0.00 55.95 57.26 2dic s SER 2 Cb 0.00 -2.21 0.43 0.00 0.10 0.00 0.00 66.02 64.34 2dic s SER 2 CO 0.00 -0.43 2.01 -0.24 0.98 0.00 0.00 173.24 175.56 2dic n SER 3 N -1.78 7.58 0.00 7.02 2.88 -1.26 -4.90 113.62 123.17 2dic n SER 3 Ca -0.00 -3.80 0.00 0.00 -1.33 0.00 0.00 58.87 53.74 2dic n SER 3 Cb 0.55 -0.98 0.00 0.00 -0.75 0.00 0.00 64.21 63.03 2dic n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dic n GLY 4 N -0.82 1.67 3.62 0.46 0.00 -1.26 -4.79 105.19 104.08 2dic n GLY 4 Ca 0.60 -0.09 -0.06 0.00 0.00 0.00 0.00 46.02 46.47 2dic n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dic s SER 5 N 0.00 -0.20 -0.14 1.61 0.15 -1.26 -5.19 113.70 108.68 2dic s SER 5 Ca 0.00 0.28 -0.30 0.00 0.70 0.00 0.00 55.95 56.63 2dic s SER 5 Cb 0.00 0.25 0.12 0.00 -1.71 0.00 0.00 66.02 64.68 2dic s SER 5 CO 0.00 -0.14 0.96 -0.55 1.20 0.00 0.00 173.24 174.71 2dic s SER 6 N -0.63 -0.40 -0.41 5.45 0.15 -1.26 -5.10 113.70 111.49 2dic s SER 6 Ca 0.05 0.41 -0.27 0.00 0.70 0.00 0.00 55.95 56.83 2dic s SER 6 Cb -0.02 0.33 -0.05 0.00 -1.71 0.00 0.00 66.02 64.57 2dic s SER 6 CO -0.07 -0.39 2.19 -0.83 1.20 0.00 0.00 173.24 175.34 2dic s GLY 7 N -1.21 0.09 0.20 9.45 0.00 -1.26 -4.65 107.32 109.94 2dic s GLY 7 Ca -0.02 0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.86 2dic s GLY 7 CO 0.02 3.82 0.00 0.61 0.00 0.00 0.00 173.10 177.55 2dic n GLY 8 N 5.81 -0.21 2.31 0.20 0.00 -1.26 -5.16 105.19 106.88 2dic n GLY 8 Ca 0.30 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.23 2dic n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dic s GLN 10 N -2.43 1.10 0.00 0.00 -0.21 -0.61 -4.96 119.66 112.55 2dic s GLN 10 Ca 0.17 -1.76 0.15 0.00 0.02 0.00 0.00 55.36 53.95 2dic s GLN 10 Cb -0.01 -2.16 0.81 0.00 1.00 0.00 0.00 33.01 32.65 2dic s GLN 10 CO 0.13 -1.13 1.39 -0.35 -2.12 0.00 0.00 175.29 173.20 2dic n PRO 11 N 3.84 0.31 0.01 2.91 -0.04 -1.26 -2.42 135.00 138.35 2dic n PRO 11 Ca 0.07 0.10 -0.10 0.00 -0.04 0.00 0.00 63.50 63.53 2dic n PRO 11 Cb 0.36 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.19 2dic n PRO 11 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2dic h SER 12 N 0.00 0.07 0.47 3.54 0.02 -1.92 -3.29 113.55 112.43 2dic h SER 12 Ca 0.00 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2dic h SER 12 Cb 0.09 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.61 2dic h SER 12 CO 0.00 1.09 0.00 0.54 -1.14 0.00 0.00 176.83 177.32 2dic n ARG 13 N -3.21 0.07 -2.53 3.45 5.12 -1.02 -4.73 116.66 113.82 2dic n ARG 13 Ca -0.12 0.37 -0.38 0.00 -1.93 0.00 0.00 57.85 55.79 2dic n ARG 13 Cb 1.02 -1.66 -0.04 0.00 -1.16 0.00 0.00 32.46 30.62 2dic n ARG 13 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2dic s VAL 14 N -3.15 3.67 -0.02 1.55 1.01 -1.24 -4.48 120.40 117.75 2dic s VAL 14 Ca 0.04 1.39 0.01 0.00 0.00 0.00 0.00 61.98 63.42 2dic s VAL 14 Cb 0.08 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.70 2dic s VAL 14 CO 0.27 0.11 -0.03 -1.10 0.00 0.00 0.00 175.10 174.35 2dic s GLN 15 N -2.18 0.44 -0.14 2.72 -0.21 -0.93 -4.83 119.66 114.53 2dic s GLN 15 Ca 0.54 -0.08 -0.00 0.00 0.02 0.00 0.00 55.36 55.84 2dic s GLN 15 Cb -0.25 -0.49 0.03 0.00 1.00 0.00 0.00 33.01 33.30 2dic s GLN 15 CO 0.31 -0.01 -0.10 0.00 -2.12 0.00 0.00 175.29 173.37 2dic s ALA 16 N 0.45 1.62 0.05 6.09 0.00 -1.26 -1.47 121.76 127.24 2dic s ALA 16 Ca -0.05 -0.78 -0.10 0.00 0.00 0.00 0.00 51.96 51.03 2dic s ALA 16 Cb -0.08 -1.02 0.01 0.00 0.00 0.00 0.00 23.12 22.03 2dic s ALA 16 CO -0.01 -0.46 0.22 1.14 0.00 0.00 0.00 175.76 176.65 2dic s GLN 17 N 1.58 0.76 0.00 0.00 -2.07 -0.80 -5.02 119.66 114.11 2dic s GLN 17 Ca 0.04 -0.68 0.00 0.00 -1.82 0.00 0.00 55.36 52.91 2dic s GLN 17 Cb -0.13 0.32 0.00 0.00 -1.09 0.00 0.00 33.01 32.11 2dic s GLN 17 CO -0.09 -0.23 0.00 0.41 -1.32 0.00 0.00 175.29 174.06 2dic n GLY 18 N 0.48 0.67 0.22 2.60 0.00 -1.26 -0.44 105.19 107.46 2dic n GLY 18 Ca -0.18 -1.84 -0.13 0.00 0.00 0.00 0.00 46.02 43.87 2dic n GLY 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dic h PRO 19 N 6.68 0.72 0.00 1.61 0.13 -1.88 -2.07 132.00 137.19 2dic h PRO 19 Ca 0.00 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2dic h PRO 19 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2dic h PRO 19 CO 0.00 0.99 0.04 0.41 -0.23 0.00 0.00 178.00 179.22 2dic n GLY 20 N 0.15 -0.73 0.07 1.56 0.00 -0.36 -0.26 105.19 105.62 2dic n GLY 20 Ca -0.04 0.14 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 2dic n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dic n LEU 21 N -2.02 0.00 -0.07 0.99 4.77 -1.12 -4.65 117.00 114.91 2dic n LEU 21 Ca -0.01 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.83 2dic n LEU 21 Cb 0.07 0.34 -0.12 0.00 -2.33 0.00 0.00 43.42 41.37 2dic n LEU 21 CO 0.07 0.34 0.35 0.11 -1.33 0.00 0.00 177.39 176.93 2dic h LYS 22 N 0.00 0.00 -1.69 3.23 1.57 -0.51 -3.43 116.57 115.74 2dic h LYS 22 Ca -0.37 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.44 2dic h LYS 22 Cb 1.84 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.92 2dic h LYS 22 CO 0.02 0.95 0.41 -1.83 -0.57 0.00 0.00 179.45 178.43 2dic s GLU 23 N -2.19 0.65 0.26 3.15 1.03 0.64 -4.68 118.70 117.56 2dic s GLU 23 Ca -0.18 0.46 0.03 0.00 0.03 0.00 0.00 54.97 55.30 2dic s GLU 23 Cb -0.03 0.31 -0.01 0.00 -0.80 0.00 0.00 34.13 33.60 2dic s GLU 23 CO 0.66 -0.14 0.12 0.00 -1.33 0.00 0.00 175.26 174.56 2dic n ALA 24 N 1.62 0.41 -2.31 -0.84 0.00 -1.18 -4.25 120.51 113.96 2dic n ALA 24 Ca -0.13 -1.36 -0.12 0.00 0.00 0.00 0.00 53.44 51.83 2dic n ALA 24 Cb 0.57 0.96 -0.09 0.00 0.00 0.00 0.00 19.45 20.88 2dic n ALA 24 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2dic s PHE 25 N -2.65 1.14 -0.05 0.00 0.40 -1.26 -2.39 117.98 113.17 2dic s PHE 25 Ca 0.17 -1.34 -0.28 0.00 -0.60 0.00 0.00 56.93 54.87 2dic s PHE 25 Cb 0.01 -0.50 -0.03 0.00 0.51 0.00 0.00 43.02 43.01 2dic s PHE 25 CO 0.12 -0.70 0.92 0.95 0.70 0.00 0.00 175.22 177.21 2dic s THR 26 N -4.07 4.89 -1.61 0.64 -4.23 -0.10 -3.48 115.64 107.69 2dic s THR 26 Ca 0.38 1.90 0.00 0.00 -1.18 0.00 0.00 61.69 62.79 2dic s THR 26 Cb 0.06 -4.25 0.00 0.00 1.34 0.00 0.00 72.50 69.65 2dic s THR 26 CO 0.13 0.13 0.00 0.59 -0.54 0.00 0.00 174.62 174.94 2dic n ASN 27 N 4.22 -5.27 -4.32 3.99 3.02 -0.50 -4.74 115.26 111.66 2dic n ASN 27 Ca 0.05 0.05 -0.29 0.00 -0.03 0.00 0.00 54.58 54.36 2dic n ASN 27 Cb 0.50 -4.34 -0.15 0.00 -0.61 0.00 0.00 39.78 35.19 2dic n ASN 27 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2dic s LYS 28 N -4.71 1.77 -0.25 3.52 1.02 -1.23 -5.00 119.74 114.86 2dic s LYS 28 Ca 0.00 -1.05 -0.29 0.00 0.02 0.00 0.00 55.97 54.65 2dic s LYS 28 Cb 0.00 -1.90 -0.02 0.00 -0.52 0.00 0.00 37.83 35.39 2dic s LYS 28 CO 0.00 0.49 1.63 -1.25 -0.92 0.00 0.00 175.35 175.30 2dic s PRO 29 N -1.13 3.71 -0.25 -1.68 0.04 -1.26 -4.43 135.00 130.00 2dic s PRO 29 Ca 0.11 1.58 0.02 0.00 0.04 0.00 0.00 61.00 62.74 2dic s PRO 29 Cb -0.10 -4.06 0.05 0.00 0.04 0.00 0.00 34.50 30.43 2dic s PRO 29 CO 0.02 -1.40 -0.11 -0.80 0.04 0.00 0.00 177.00 174.75 2dic s ASN 30 N 4.49 4.19 0.41 6.66 0.01 -0.67 -4.99 114.94 125.06 2dic s ASN 30 Ca 0.72 -1.16 0.06 0.00 -0.71 0.00 0.00 52.86 51.77 2dic s ASN 30 Cb -0.24 -1.56 -0.07 0.00 0.41 0.00 0.00 41.25 39.79 2dic s ASN 30 CO 0.30 -0.15 0.02 0.68 -1.51 0.00 0.00 177.10 176.44 2dic s VAL 31 N 1.18 1.74 0.13 1.60 -7.23 -1.26 -1.02 120.40 115.54 2dic s VAL 31 Ca -0.05 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 57.89 2dic s VAL 31 Cb -0.18 -2.84 0.06 0.00 0.56 0.00 0.00 36.38 33.99 2dic s VAL 31 CO -0.06 0.00 0.58 0.72 -0.31 0.00 0.00 175.10 176.03 2dic s PHE 32 N -2.83 -0.51 -0.10 2.82 -0.12 -1.17 -1.22 117.98 114.86 2dic s PHE 32 Ca 0.31 0.37 -0.16 0.00 -0.05 0.00 0.00 56.93 57.40 2dic s PHE 32 Cb 0.08 0.50 -0.05 0.00 -0.63 0.00 0.00 43.02 42.92 2dic s PHE 32 CO 0.15 -0.80 0.42 0.99 -0.05 0.00 0.00 175.22 175.94 2dic s THR 33 N -3.41 5.17 -0.27 -4.49 2.01 0.41 -3.89 115.64 111.18 2dic s THR 33 Ca -0.00 0.84 0.01 0.00 0.31 0.00 0.00 61.69 62.85 2dic s THR 33 Cb -0.01 -3.75 0.07 0.00 0.01 0.00 0.00 72.50 68.83 2dic s THR 33 CO -0.10 0.41 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.54 2dic s VAL 34 N 0.13 1.62 -0.34 3.82 1.01 -0.71 -1.91 120.40 124.03 2dic s VAL 34 Ca 0.23 -1.51 -0.24 0.00 0.00 0.00 0.00 61.98 60.47 2dic s VAL 34 Cb -0.15 -1.99 0.01 0.00 0.00 0.00 0.00 36.38 34.24 2dic s VAL 34 CO 0.10 -0.29 0.80 -0.69 0.00 0.00 0.00 175.10 175.02 2dic s VAL 35 N 1.31 4.74 -0.30 2.92 1.01 -0.54 -0.27 120.40 129.27 2dic s VAL 35 Ca -0.00 1.04 0.14 0.00 0.00 0.00 0.00 61.98 63.16 2dic s VAL 35 Cb -0.19 -4.20 0.47 0.00 0.00 0.00 0.00 36.38 32.47 2dic s VAL 35 CO -0.09 -0.37 1.12 0.35 0.00 0.00 0.00 175.10 176.10 2dic n THR 36 N 5.71 1.85 1.18 3.92 -2.24 -1.26 -2.18 114.28 121.25 2dic n THR 36 Ca 0.04 -3.67 0.13 0.00 -2.27 0.00 0.00 64.05 58.28 2dic n THR 36 Cb 0.48 -0.01 0.38 0.00 -2.10 0.00 0.00 70.33 69.08 2dic n THR 36 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2dic n ARG 37 N -0.56 0.52 -0.03 -0.78 -4.01 -1.26 -4.12 116.66 106.42 2dic n ARG 37 Ca 0.25 -0.29 -0.03 0.00 -1.04 0.00 0.00 57.85 56.74 2dic n ARG 37 Cb 0.85 -1.49 -0.05 0.00 -3.04 0.00 0.00 32.46 28.73 2dic n ARG 37 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2dic n GLY 38 N 1.39 -0.29 0.37 2.89 0.00 -1.26 -4.72 105.19 103.57 2dic n GLY 38 Ca 0.10 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2dic n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dic h ALA 39 N 0.28 -0.36 0.00 4.61 0.00 -1.72 -3.45 119.26 118.62 2dic h ALA 39 Ca -0.16 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2dic h ALA 39 Cb 1.37 0.80 0.00 0.00 0.00 0.00 0.00 17.79 19.96 2dic h ALA 39 CO 0.01 -0.82 0.00 0.41 0.00 0.00 0.00 179.25 178.84 2dic n GLY 40 N -1.42 0.64 2.80 0.00 0.00 -1.26 -1.58 105.19 104.38 2dic n GLY 40 Ca -0.01 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 45.03 2dic n GLY 40 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dic s ILE 41 N 0.00 0.25 0.00 -0.61 1.01 -1.26 -4.96 121.20 115.62 2dic s ILE 41 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.75 2dic s ILE 41 Cb 0.00 -0.36 0.00 0.00 0.01 0.00 0.00 42.46 42.11 2dic s ILE 41 CO 0.00 0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.74 2dic n GLY 42 N 4.47 0.72 3.64 6.18 0.00 -1.26 -4.90 105.19 114.04 2dic n GLY 42 Ca -0.19 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 2dic n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dic s GLY 43 N 0.00 1.74 -0.10 -0.02 0.00 -1.26 -4.74 107.32 102.95 2dic s GLY 43 Ca 0.00 -0.12 -0.21 0.00 0.00 0.00 0.00 44.72 44.39 2dic s GLY 43 CO 0.00 1.85 0.60 -2.27 0.00 0.00 0.00 173.10 173.28 2dic s LEU 44 N 2.91 4.29 -0.31 0.66 2.96 -1.26 0.25 118.68 128.17 2dic s LEU 44 Ca 0.36 1.01 0.02 0.00 -0.22 0.00 0.00 54.13 55.30 2dic s LEU 44 Cb -0.15 -2.91 0.08 0.00 0.50 0.00 0.00 46.19 43.71 2dic s LEU 44 CO 0.08 -0.08 -0.00 -0.83 -1.32 0.00 0.00 176.35 174.20 2dic s GLY 45 N 0.75 1.81 -0.27 7.98 0.00 -0.39 -4.97 107.32 112.23 2dic s GLY 45 Ca 0.32 -2.11 -0.07 0.00 0.00 0.00 0.00 44.72 42.87 2dic s GLY 45 CO 0.14 0.78 0.07 -0.42 0.00 0.00 0.00 173.10 173.67 2dic s ILE 46 N 1.07 4.05 0.20 0.90 1.01 -1.26 -2.18 121.20 124.99 2dic s ILE 46 Ca 0.00 -0.48 0.05 0.00 0.00 0.00 0.00 60.65 60.22 2dic s ILE 46 Cb -0.20 -2.99 -0.05 0.00 0.01 0.00 0.00 42.46 39.23 2dic s ILE 46 CO -0.05 0.20 -0.07 0.42 0.00 0.00 0.00 174.94 175.44 2dic s THR 47 N 1.54 1.27 -0.08 2.92 -4.23 0.31 -4.98 115.64 112.38 2dic s THR 47 Ca 0.04 -2.08 0.02 0.00 -1.18 0.00 0.00 61.69 58.49 2dic s THR 47 Cb -0.16 -2.11 0.01 0.00 1.34 0.00 0.00 72.50 71.59 2dic s THR 47 CO 0.02 -0.54 -0.12 -0.69 -0.54 0.00 0.00 174.62 172.76 2dic s VAL 48 N -3.27 1.20 -0.08 2.29 1.01 -1.26 0.14 120.40 120.43 2dic s VAL 48 Ca 0.23 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.72 2dic s VAL 48 Cb 0.03 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 2dic s VAL 48 CO 0.05 0.37 -0.06 -1.61 0.00 0.00 0.00 175.10 173.86 2dic s GLU 49 N 0.86 2.88 0.00 2.72 2.02 -0.88 -4.70 118.70 121.60 2dic s GLU 49 Ca -0.11 -0.53 -0.06 0.00 0.02 0.00 0.00 54.97 54.29 2dic s GLU 49 Cb -0.15 -2.65 0.02 0.00 0.10 0.00 0.00 34.13 31.45 2dic s GLU 49 CO 0.01 0.62 0.26 0.41 0.02 0.00 0.00 175.26 176.58 2dic n GLY 50 N 2.38 0.67 0.00 -1.39 0.00 -1.26 -1.32 105.19 104.27 2dic n GLY 50 Ca -0.18 -0.90 0.07 0.00 0.00 0.00 0.00 46.02 45.02 2dic n GLY 50 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dic n PRO 51 N -0.19 0.14 -3.72 1.61 -0.04 -1.26 -4.71 135.00 126.83 2dic n PRO 51 Ca 0.01 0.18 -0.14 0.00 -0.04 0.00 0.00 63.50 63.51 2dic n PRO 51 Cb 0.12 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.99 2dic n PRO 51 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dic s SER 52 N -2.71 -0.36 -0.01 3.54 1.04 -1.26 -4.98 113.70 108.96 2dic s SER 52 Ca 0.12 0.55 -0.30 0.00 0.48 0.00 0.00 55.95 56.79 2dic s SER 52 Cb 0.10 0.62 -0.06 0.00 0.10 0.00 0.00 66.02 66.78 2dic s SER 52 CO 0.24 -0.30 1.56 -1.61 0.98 0.00 0.00 173.24 174.11 2dic s GLU 53 N -0.48 4.22 0.01 4.02 2.02 -1.26 -4.68 118.70 122.55 2dic s GLU 53 Ca -0.06 2.14 -0.07 0.00 0.02 0.00 0.00 54.97 57.00 2dic s GLU 53 Cb -0.03 -3.75 -0.05 0.00 0.10 0.00 0.00 34.13 30.40 2dic s GLU 53 CO 0.03 -0.73 0.27 -1.12 0.02 0.00 0.00 175.26 173.73 2dic s SER 54 N 2.59 6.49 -0.85 -0.19 0.01 -1.26 -4.42 113.70 116.08 2dic s SER 54 Ca 0.70 0.56 -0.25 0.00 1.31 0.00 0.00 55.95 58.26 2dic s SER 54 Cb -0.34 -2.09 0.03 0.00 0.21 0.00 0.00 66.02 63.83 2dic s SER 54 CO 0.29 0.25 1.39 -0.54 0.41 0.00 0.00 173.24 175.04 2dic s LYS 55 N -1.77 3.30 0.19 12.44 1.02 -0.39 -4.74 119.74 129.79 2dic s LYS 55 Ca 0.28 -0.54 -0.12 0.00 0.02 0.00 0.00 55.97 55.61 2dic s LYS 55 Cb -0.13 -4.67 -0.07 0.00 -0.52 0.00 0.00 37.83 32.44 2dic s LYS 55 CO 0.16 -2.24 0.55 0.42 -0.92 0.00 0.00 175.35 173.33 2dic s ILE 56 N 5.72 4.90 -0.25 2.17 1.01 -1.26 -2.17 121.20 131.33 2dic s ILE 56 Ca 0.42 0.63 -0.03 0.00 0.00 0.00 0.00 60.65 61.67 2dic s ILE 56 Cb -0.05 -3.67 0.14 0.00 0.01 0.00 0.00 42.46 38.89 2dic s ILE 56 CO 0.05 0.07 0.40 0.20 0.00 0.00 0.00 174.94 175.66 2dic s ASN 57 N -2.07 0.08 0.12 3.58 0.01 0.14 -4.97 114.94 111.84 2dic s ASN 57 Ca 0.43 0.32 -0.13 0.00 -0.71 0.00 0.00 52.86 52.77 2dic s ASN 57 Cb -0.13 1.21 -0.07 0.00 0.41 0.00 0.00 41.25 42.68 2dic s ASN 57 CO 0.20 -0.29 0.50 0.00 -1.51 0.00 0.00 177.10 176.00 2dic s ARG 59 N -1.89 1.56 -0.26 0.00 6.06 0.70 -5.00 118.95 120.13 2dic s ARG 59 Ca 0.36 -1.59 -0.08 0.00 -2.50 0.00 0.00 55.73 51.91 2dic s ARG 59 Cb -0.15 -1.83 -0.03 0.00 0.06 0.00 0.00 34.95 33.01 2dic s ARG 59 CO 0.19 0.38 0.09 0.34 -2.50 0.00 0.00 175.30 173.80 2dic s ASP 60 N -2.89 5.27 -0.26 -2.12 2.15 -1.26 -3.69 116.67 113.86 2dic s ASP 60 Ca 0.23 -0.24 -0.10 0.00 0.43 0.00 0.00 52.55 52.87 2dic s ASP 60 Cb -0.07 -1.95 -0.05 0.00 -0.30 0.00 0.00 42.92 40.55 2dic s ASP 60 CO 0.11 -0.06 0.17 0.20 -0.17 0.00 0.00 175.17 175.42 2dic s ASN 61 N 1.63 5.94 -0.27 -0.34 0.01 -1.26 -4.97 114.94 115.68 2dic s ASN 61 Ca 0.06 0.01 -0.02 0.00 -0.71 0.00 0.00 52.86 52.20 2dic s ASN 61 Cb -0.15 -2.09 0.12 0.00 0.41 0.00 0.00 41.25 39.54 2dic s ASN 61 CO 0.05 -0.01 2.25 1.17 -1.51 0.00 0.00 177.10 179.05 2dic n LYS 62 N 4.78 1.79 0.04 -0.60 4.81 -1.26 -3.99 118.16 123.73 2dic n LYS 62 Ca -0.15 -1.41 0.00 0.00 -0.87 0.00 0.00 58.31 55.88 2dic n LYS 62 Cb 0.52 -1.63 0.00 0.00 0.02 0.00 0.00 35.03 33.94 2dic n LYS 62 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2dic n ASP 63 N 0.76 0.09 0.00 3.14 5.68 -1.26 -5.08 116.55 119.88 2dic n ASP 63 Ca 0.29 0.12 0.00 0.00 -0.50 0.00 0.00 54.79 54.70 2dic n ASP 63 Cb 0.58 0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.61 2dic n ASP 63 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dic n GLY 64 N 2.10 -0.91 3.87 6.12 0.00 -1.26 -5.14 105.19 109.97 2dic n GLY 64 Ca 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 46.02 46.23 2dic n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dic s SER 65 N 0.00 -0.02 -0.03 1.61 1.04 -1.26 -4.51 113.70 110.53 2dic s SER 65 Ca 0.00 -0.42 0.01 0.00 0.48 0.00 0.00 55.95 56.02 2dic s SER 65 Cb 0.00 0.34 0.01 0.00 0.10 0.00 0.00 66.02 66.47 2dic s SER 65 CO 0.00 -0.66 -0.05 0.00 0.98 0.00 0.00 173.24 173.50 2dic s SER 67 N 0.55 3.87 -0.03 0.00 0.01 -1.24 -1.74 113.70 115.13 2dic s SER 67 Ca -0.07 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 56.86 2dic s SER 67 Cb -0.11 -1.36 0.03 0.00 0.21 0.00 0.00 66.02 64.79 2dic s SER 67 CO 0.00 0.21 0.01 0.00 0.41 0.00 0.00 173.24 173.88 2dic s ALA 68 N 0.06 0.23 0.02 1.44 0.00 -1.25 -0.22 121.76 122.04 2dic s ALA 68 Ca -0.06 0.22 0.08 0.00 0.00 0.00 0.00 51.96 52.20 2dic s ALA 68 Cb -0.15 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 2dic s ALA 68 CO 0.05 -0.09 -0.23 -1.83 0.00 0.00 0.00 175.76 173.66 2dic s GLU 69 N 1.06 1.64 0.04 0.00 -1.05 -0.61 -3.05 118.70 116.72 2dic s GLU 69 Ca -0.09 -0.92 0.00 0.00 -0.15 0.00 0.00 54.97 53.81 2dic s GLU 69 Cb -0.13 -1.70 -0.03 0.00 -0.44 0.00 0.00 34.13 31.83 2dic s GLU 69 CO -0.02 0.45 -0.04 1.52 0.95 0.00 0.00 175.26 178.12 2dic s TYR 70 N -0.69 0.41 -0.22 4.83 -0.85 -0.19 0.28 117.35 120.93 2dic s TYR 70 Ca 0.09 -0.70 -0.04 0.00 -0.52 0.00 0.00 57.07 55.89 2dic s TYR 70 Cb -0.09 -0.29 0.08 0.00 0.38 0.00 0.00 41.96 42.04 2dic s TYR 70 CO 0.01 -0.23 0.13 0.42 -1.52 0.00 0.00 175.55 174.36 2dic s ILE 71 N -2.27 -0.13 0.99 -3.49 1.01 -0.92 -1.67 121.20 114.72 2dic s ILE 71 Ca -0.07 -0.36 -0.12 0.00 0.00 0.00 0.00 60.65 60.09 2dic s ILE 71 Cb -0.04 -0.73 0.18 0.00 0.01 0.00 0.00 42.46 41.88 2dic s ILE 71 CO -0.04 -0.42 1.09 -2.16 0.00 0.00 0.00 174.94 173.41 2dic s PRO 72 N 2.16 0.52 0.00 2.79 0.04 -1.26 -1.26 135.00 137.98 2dic s PRO 72 Ca 0.05 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.65 2dic s PRO 72 Cb -0.16 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2dic s PRO 72 CO -0.19 -2.68 0.04 1.19 0.04 0.00 0.00 177.00 175.39 2dic n PHE 73 N -4.15 0.00 -3.79 0.56 3.01 -1.26 -1.41 117.46 110.42 2dic n PHE 73 Ca 0.05 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.39 2dic n PHE 73 Cb 0.57 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.93 2dic n PHE 73 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2dic s ALA 74 N -0.79 -0.65 0.31 4.37 0.00 -1.26 -4.84 121.76 118.90 2dic s ALA 74 Ca 0.00 0.56 -0.29 0.00 0.00 0.00 0.00 51.96 52.24 2dic s ALA 74 Cb 0.00 -0.27 -0.10 0.00 0.00 0.00 0.00 23.12 22.75 2dic s ALA 74 CO 0.00 -0.16 1.23 -1.25 0.00 0.00 0.00 175.76 175.57 2dic s PRO 75 N -0.34 4.46 0.00 0.00 0.04 -1.26 -4.80 135.00 133.10 2dic s PRO 75 Ca -0.05 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.06 2dic s PRO 75 Cb -0.03 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.39 2dic s PRO 75 CO 0.01 -0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.42 2dic n GLY 76 N 0.95 -1.57 3.63 0.56 0.00 -1.12 -4.96 105.19 102.69 2dic n GLY 76 Ca -0.00 -1.23 -0.40 0.00 0.00 0.00 0.00 46.02 44.39 2dic n GLY 76 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dic s ASP 77 N -3.50 6.46 0.27 1.61 1.47 -1.26 -2.11 116.67 119.60 2dic s ASP 77 Ca 0.00 0.55 0.09 0.00 1.18 0.00 0.00 52.55 54.37 2dic s ASP 77 Cb 0.00 -2.28 -0.04 0.00 -0.34 0.00 0.00 42.92 40.26 2dic s ASP 77 CO 0.00 -0.25 0.03 -0.31 0.68 0.00 0.00 175.17 175.32 2dic s TYR 78 N 2.11 2.76 -0.19 2.11 1.51 -1.18 -4.65 117.35 119.81 2dic s TYR 78 Ca 0.22 -0.22 -0.01 0.00 -1.01 0.00 0.00 57.07 56.05 2dic s TYR 78 Cb -0.16 -1.25 0.05 0.00 -0.11 0.00 0.00 41.96 40.49 2dic s TYR 78 CO 0.09 0.59 -0.02 -0.51 -1.11 0.00 0.00 175.55 174.59 2dic s ASP 79 N -3.71 3.13 -0.60 2.29 1.01 -0.44 -2.39 116.67 115.97 2dic s ASP 79 Ca 0.32 -0.85 -0.28 0.00 0.71 0.00 0.00 52.55 52.45 2dic s ASP 79 Cb -0.06 -0.88 0.02 0.00 1.01 0.00 0.00 42.92 43.01 2dic s ASP 79 CO 0.21 -0.24 1.32 -0.69 0.21 0.00 0.00 175.17 175.98 2dic s VAL 80 N 1.64 3.85 -0.39 -1.27 1.01 -1.01 -2.08 120.40 122.16 2dic s VAL 80 Ca -0.02 0.70 -0.24 0.00 0.00 0.00 0.00 61.98 62.43 2dic s VAL 80 Cb -0.17 -4.62 0.01 0.00 0.00 0.00 0.00 36.38 31.60 2dic s VAL 80 CO -0.07 -1.35 0.83 0.20 0.00 0.00 0.00 175.10 174.70 2dic s ASN 81 N 3.83 6.55 -0.21 3.32 0.01 0.12 -2.67 114.94 125.89 2dic s ASN 81 Ca 0.46 0.30 0.01 0.00 -0.71 0.00 0.00 52.86 52.92 2dic s ASN 81 Cb -0.09 -2.41 0.04 0.00 0.41 0.00 0.00 41.25 39.20 2dic s ASN 81 CO 0.23 -0.82 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.27 2dic s ILE 82 N 3.27 1.71 -0.06 0.60 1.01 -1.26 -0.53 121.20 125.94 2dic s ILE 82 Ca 0.33 -1.09 0.04 0.00 0.00 0.00 0.00 60.65 59.93 2dic s ILE 82 Cb -0.12 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.56 2dic s ILE 82 CO 0.19 0.15 -0.17 0.42 0.00 0.00 0.00 174.94 175.53 2dic s THR 83 N 1.36 1.45 -0.49 2.92 -4.23 -0.92 -2.38 115.64 113.34 2dic s THR 83 Ca -0.02 -0.70 -0.19 0.00 -1.18 0.00 0.00 61.69 59.61 2dic s THR 83 Cb -0.17 -1.26 0.06 0.00 1.34 0.00 0.00 72.50 72.47 2dic s THR 83 CO -0.08 0.42 0.58 -0.47 -0.54 0.00 0.00 174.62 174.53 2dic s TYR 84 N 0.26 3.08 0.00 3.99 5.04 0.13 -1.26 117.35 128.60 2dic s TYR 84 Ca -0.09 -0.55 0.00 0.00 -2.44 0.00 0.00 57.07 53.99 2dic s TYR 84 Cb -0.14 -3.43 0.00 0.00 0.35 0.00 0.00 41.96 38.74 2dic s TYR 84 CO 0.04 -0.97 0.00 0.41 -1.34 0.00 0.00 175.55 173.69 2dic n GLY 85 N 5.16 0.90 0.72 8.97 0.00 0.14 -2.31 105.19 118.77 2dic n GLY 85 Ca -0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 45.93 2dic n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dic n GLY 86 N 0.00 0.79 2.96 -0.02 0.00 -1.26 -4.82 105.19 102.84 2dic n GLY 86 Ca 0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 2dic n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dic s ALA 87 N 0.00 0.15 -0.01 4.61 0.00 -0.98 -5.14 121.76 120.39 2dic s ALA 87 Ca 0.02 -0.46 -0.24 0.00 0.00 0.00 0.00 51.96 51.29 2dic s ALA 87 Cb 0.03 0.10 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 2dic s ALA 87 CO -0.01 -0.10 0.72 -1.01 0.00 0.00 0.00 175.76 175.36 2dic s HIS 88 N -1.07 3.66 0.54 0.00 0.09 -1.26 0.22 115.29 117.48 2dic s HIS 88 Ca -0.11 1.35 -0.19 0.00 -0.00 0.00 0.00 55.06 56.11 2dic s HIS 88 Cb -0.07 -2.79 -0.06 0.00 -0.00 0.00 0.00 32.58 29.66 2dic s HIS 88 CO -0.01 0.20 1.09 0.96 -0.00 0.00 0.00 174.74 176.99 2dic s ILE 89 N 0.29 3.45 -0.79 0.60 -4.36 -1.00 -4.89 121.20 114.50 2dic s ILE 89 Ca 0.37 0.85 -0.25 0.00 -0.26 0.00 0.00 60.65 61.36 2dic s ILE 89 Cb -0.19 -3.33 -0.04 0.00 1.25 0.00 0.00 42.46 40.15 2dic s ILE 89 CO 0.20 -0.25 1.91 -2.16 0.24 0.00 0.00 174.94 174.89 2dic s PRO 90 N -3.45 2.59 0.00 0.37 0.04 -1.26 -2.62 135.00 130.67 2dic s PRO 90 Ca 0.69 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.79 2dic s PRO 90 Cb -0.20 -4.80 0.00 0.00 0.04 0.00 0.00 34.50 29.54 2dic s PRO 90 CO 0.27 -3.12 0.00 0.41 0.04 0.00 0.00 177.00 174.60 2dic n GLY 91 N 6.40 0.40 3.78 0.56 0.00 -1.26 -5.00 105.19 110.07 2dic n GLY 91 Ca 0.32 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.07 2dic n GLY 91 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dic s SER 92 N 0.00 5.48 0.50 1.61 0.15 -1.08 -3.68 113.70 116.67 2dic s SER 92 Ca 0.00 -0.10 -0.21 0.00 0.70 0.00 0.00 55.95 56.34 2dic s SER 92 Cb 0.00 -1.43 -0.07 0.00 -1.71 0.00 0.00 66.02 62.81 2dic s SER 92 CO 0.00 0.11 1.15 -2.16 1.20 0.00 0.00 173.24 173.54 2dic s PRO 93 N -2.83 3.58 -0.34 5.44 0.04 -1.26 -4.90 135.00 134.74 2dic s PRO 93 Ca 0.30 1.70 -0.14 0.00 0.04 0.00 0.00 61.00 62.90 2dic s PRO 93 Cb -0.11 -2.23 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 2dic s PRO 93 CO 0.23 -0.68 0.30 -0.06 0.04 0.00 0.00 177.00 176.83 2dic s PHE 94 N -1.64 3.22 0.22 0.56 0.40 -1.09 -4.79 117.98 114.85 2dic s PHE 94 Ca 0.68 -0.08 -0.31 0.00 -0.60 0.00 0.00 56.93 56.62 2dic s PHE 94 Cb -0.27 -2.57 -0.10 0.00 0.51 0.00 0.00 43.02 40.59 2dic s PHE 94 CO 0.31 -0.38 1.51 0.50 0.70 0.00 0.00 175.22 177.86 2dic s ARG 95 N 1.89 4.23 -0.23 0.44 6.06 -1.26 -2.39 118.95 127.68 2dic s ARG 95 Ca 0.09 2.35 -0.04 0.00 -2.50 0.00 0.00 55.73 55.63 2dic s ARG 95 Cb -0.17 -3.12 0.08 0.00 0.06 0.00 0.00 34.95 31.80 2dic s ARG 95 CO 0.11 -0.52 0.11 0.08 -2.50 0.00 0.00 175.30 172.58 2dic s VAL 96 N 0.50 -0.03 -0.39 7.11 1.01 -1.00 -4.81 120.40 122.78 2dic s VAL 96 Ca 0.64 -0.49 -0.28 0.00 0.00 0.00 0.00 61.98 61.85 2dic s VAL 96 Cb -0.43 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 2dic s VAL 96 CO 0.38 -0.50 1.73 -2.16 0.00 0.00 0.00 175.10 174.55 2dic s PRO 97 N 2.09 3.28 -0.43 2.72 0.04 -1.26 -3.13 135.00 138.31 2dic s PRO 97 Ca 0.05 1.20 -0.22 0.00 0.04 0.00 0.00 61.00 62.07 2dic s PRO 97 Cb -0.16 -4.19 0.02 0.00 0.04 0.00 0.00 34.50 30.21 2dic s PRO 97 CO -0.23 -1.92 0.73 0.08 0.04 0.00 0.00 177.00 175.70 2dic s VAL 98 N 6.90 4.72 0.22 -0.36 1.01 -0.90 -3.11 120.40 128.89 2dic s VAL 98 Ca 0.74 0.39 0.06 0.00 0.00 0.00 0.00 61.98 63.16 2dic s VAL 98 Cb -0.19 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 2dic s VAL 98 CO 0.31 -0.63 0.25 -0.54 0.00 0.00 0.00 175.10 174.49 2dic s LYS 99 N 3.10 3.15 -0.22 2.72 1.02 -1.01 -2.79 119.74 125.72 2dic s LYS 99 Ca 0.28 -0.88 -0.15 0.00 0.02 0.00 0.00 55.97 55.23 2dic s LYS 99 Cb -0.13 -2.72 -0.04 0.00 -0.52 0.00 0.00 37.83 34.42 2dic s LYS 99 CO 0.21 0.43 0.37 -0.51 -0.92 0.00 0.00 175.35 174.93 2dic s ASP 100 N -3.72 6.38 0.20 2.83 1.11 -1.26 -0.92 116.67 121.28 2dic s ASP 100 Ca 0.33 0.44 -0.21 0.00 0.18 0.00 0.00 52.55 53.29 2dic s ASP 100 Cb -0.09 -2.22 0.13 0.00 1.07 0.00 0.00 42.92 41.82 2dic s ASP 100 CO 0.26 -0.08 1.57 0.58 1.18 0.00 0.00 175.17 178.68 2dic h VAL 101 N 5.09 0.08 -1.32 -1.27 2.07 -1.97 -3.44 116.25 115.48 2dic h VAL 101 Ca -0.35 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.30 2dic h VAL 101 Cb 1.16 0.08 -0.30 0.00 -1.52 0.00 0.00 31.29 30.71 2dic h VAL 101 CO 0.70 0.00 0.64 0.54 0.02 0.00 0.00 177.57 179.47 2dic s VAL 102 N -5.91 0.00 0.00 2.57 0.11 -1.26 -5.17 120.40 110.75 2dic s VAL 102 Ca -0.14 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 58.95 2dic s VAL 102 Cb 0.16 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.98 2dic s VAL 102 CO 0.69 0.00 -0.12 1.51 -3.33 0.00 0.00 175.10 173.85 2dic s ASP 103 N 0.42 4.25 -0.39 3.54 -4.77 -1.26 -5.07 116.67 113.39 2dic s ASP 103 Ca 0.02 -0.24 -0.28 0.00 -3.30 0.00 0.00 52.55 48.74 2dic s ASP 103 Cb -0.04 -0.89 -0.01 0.00 -1.09 0.00 0.00 42.92 40.88 2dic s ASP 103 CO -0.12 0.29 1.72 -2.16 0.70 0.00 0.00 175.17 175.61 2dic s PRO 104 N -1.28 3.29 0.00 2.11 0.04 -1.26 -5.27 135.00 132.63 2dic s PRO 104 Ca 0.15 1.21 0.02 0.00 0.04 0.00 0.00 61.00 62.42 2dic s PRO 104 Cb -0.11 -4.19 0.02 0.00 0.04 0.00 0.00 34.50 30.26 2dic s PRO 104 CO 0.05 -1.91 0.57 -1.13 0.04 0.00 0.00 177.00 174.62