#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 6.30 -0.35 1.61 0.15 -1.26 -4.92 113.70 115.23 2dic s SER 2 Ca 0.00 -0.55 -0.01 0.00 0.70 0.00 0.00 55.95 56.09 2dic s SER 2 Cb 0.00 -2.36 0.20 0.00 -1.71 0.00 0.00 66.02 62.15 2dic s SER 2 CO 0.00 -1.02 2.14 -1.20 1.20 0.00 0.00 173.24 174.36 2dic n SER 3 N 6.76 6.52 -4.31 5.45 7.64 -1.26 -4.83 113.62 129.59 2dic n SER 3 Ca -0.02 -3.11 -0.46 0.00 1.01 0.00 0.00 58.87 56.29 2dic n SER 3 Cb 0.47 -1.08 -0.04 0.00 -1.01 0.00 0.00 64.21 62.54 2dic n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dic s GLY 4 N 0.13 2.30 0.30 0.23 0.00 -1.26 -5.06 107.32 103.97 2dic s GLY 4 Ca 0.37 -2.84 -0.01 0.00 0.00 0.00 0.00 44.72 42.23 2dic s GLY 4 CO -0.04 1.21 0.52 -0.56 0.00 0.00 0.00 173.10 174.24 2dic s SER 5 N 2.96 6.35 -0.08 1.64 0.01 -1.26 -5.10 113.70 118.22 2dic s SER 5 Ca 0.09 0.51 -0.01 0.00 1.31 0.00 0.00 55.95 57.85 2dic s SER 5 Cb -0.22 -2.06 -0.03 0.00 0.21 0.00 0.00 66.02 63.92 2dic s SER 5 CO -0.02 -0.22 -0.03 -0.44 0.41 0.00 0.00 173.24 172.94 2dic s SER 6 N -3.64 4.95 0.47 2.44 0.01 -1.26 -5.07 113.70 111.59 2dic s SER 6 Ca 0.41 0.06 -0.19 0.00 1.31 0.00 0.00 55.95 57.53 2dic s SER 6 Cb -0.10 -1.35 -0.15 0.00 0.21 0.00 0.00 66.02 64.63 2dic s SER 6 CO 0.33 0.36 0.01 0.61 0.41 0.00 0.00 173.24 174.96 2dic n GLY 7 N 2.26 -2.89 0.00 3.44 0.00 -1.26 -4.95 105.19 101.79 2dic n GLY 7 Ca -0.18 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2dic n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dic n GLY 8 N 2.38 -1.93 3.54 -0.02 0.00 -1.26 -5.16 105.19 102.74 2dic n GLY 8 Ca 0.09 0.89 -0.34 0.00 0.00 0.00 0.00 46.02 46.67 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 -3.48 2.97 0.00 0.00 -1.52 0.63 -4.90 119.66 113.36 2dic s GLN 10 Ca 0.67 -2.32 0.16 0.00 -1.95 0.00 0.00 55.36 51.92 2dic s GLN 10 Cb -0.30 -4.07 0.91 0.00 -0.22 0.00 0.00 33.01 29.34 2dic s GLN 10 CO 0.57 -1.23 1.35 -0.35 -0.25 0.00 0.00 175.29 175.39 2dic n PRO 11 N 4.04 0.45 0.00 2.91 -0.04 -1.26 -2.08 135.00 139.02 2dic n PRO 11 Ca 0.06 0.02 0.08 0.00 -0.04 0.00 0.00 63.50 63.62 2dic n PRO 11 Cb 0.42 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.25 2dic n PRO 11 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dic n SER 12 N -1.04 0.21 0.13 3.54 7.64 -1.26 -3.87 113.62 118.97 2dic n SER 12 Ca 0.11 0.08 0.12 0.00 1.01 0.00 0.00 58.87 60.20 2dic n SER 12 Cb 0.06 1.48 0.47 0.00 -1.01 0.00 0.00 64.21 65.21 2dic n SER 12 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2dic n ARG 13 N -2.44 0.23 -2.91 1.43 5.12 -0.88 -4.76 116.66 112.44 2dic n ARG 13 Ca -0.07 0.36 -0.36 0.00 -1.93 0.00 0.00 57.85 55.84 2dic n ARG 13 Cb 0.66 -1.87 -0.06 0.00 -1.16 0.00 0.00 32.46 30.03 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 -3.26 4.37 0.06 1.55 1.01 -1.26 -4.81 120.40 118.07 2dic s VAL 14 Ca 0.06 1.58 0.03 0.00 0.00 0.00 0.00 61.98 63.66 2dic s VAL 14 Cb 0.10 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 2dic s VAL 14 CO 0.47 0.14 -0.09 0.00 0.00 0.00 0.00 175.10 175.62 2dic s GLN 15 N -2.09 0.68 -0.07 2.72 -2.07 -1.07 -4.72 119.66 113.04 2dic s GLN 15 Ca 0.48 -0.94 -0.01 0.00 -1.82 0.00 0.00 55.36 53.08 2dic s GLN 15 Cb -0.17 -0.44 0.03 0.00 -1.09 0.00 0.00 33.01 31.33 2dic s GLN 15 CO 0.22 0.08 -0.01 0.00 -1.32 0.00 0.00 175.29 174.26 2dic s ALA 16 N -1.79 0.73 -0.10 2.60 0.00 -1.26 -2.18 121.76 119.75 2dic s ALA 16 Ca -0.03 -0.13 -0.09 0.00 0.00 0.00 0.00 51.96 51.71 2dic s ALA 16 Cb -0.07 -0.69 0.03 0.00 0.00 0.00 0.00 23.12 22.39 2dic s ALA 16 CO 0.00 -0.37 0.27 1.14 0.00 0.00 0.00 175.76 176.80 2dic s GLN 17 N 1.75 0.30 0.00 0.00 -2.07 -0.41 -4.98 119.66 114.25 2dic s GLN 17 Ca 0.02 0.40 0.00 0.00 -1.82 0.00 0.00 55.36 53.96 2dic s GLN 17 Cb -0.13 0.11 0.00 0.00 -1.09 0.00 0.00 33.01 31.90 2dic s GLN 17 CO -0.04 -0.06 0.00 0.41 -1.32 0.00 0.00 175.29 174.28 2dic n GLY 18 N 3.15 -1.60 0.13 2.60 0.00 -1.26 -0.03 105.19 108.17 2dic n GLY 18 Ca -0.15 -1.32 -0.13 0.00 0.00 0.00 0.00 46.02 44.42 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 0.71 0.33 0.00 1.61 0.13 -1.88 -2.37 132.00 130.53 2dic h PRO 19 Ca 0.00 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 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 0.72 0.24 0.78 -0.23 0.00 0.00 178.00 179.50 2dic h GLY 20 N -0.05 0.00 0.00 1.56 0.00 -1.49 0.44 103.07 103.52 2dic h GLY 20 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.00 2dic h GLY 20 CO 0.03 0.00 -2.33 1.04 0.00 0.00 0.00 176.54 175.29 2dic n LEU 21 N -2.39 0.04 -0.07 3.11 4.77 -1.14 -4.61 117.00 116.70 2dic n LEU 21 Ca -0.01 -0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.86 2dic n LEU 21 Cb 0.27 0.46 -0.08 0.00 -2.33 0.00 0.00 43.42 41.73 2dic n LEU 21 CO 0.10 0.48 0.09 0.11 -1.33 0.00 0.00 177.39 176.83 2dic h LYS 22 N 0.00 0.00 -2.07 3.23 1.57 -0.31 -3.42 116.57 115.57 2dic h LYS 22 Ca -0.52 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.20 2dic h LYS 22 Cb 2.19 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 34.29 2dic h LYS 22 CO 0.03 0.66 0.11 -1.83 -0.57 0.00 0.00 179.45 177.84 2dic s GLU 23 N -2.07 0.85 0.31 3.15 1.03 0.13 -4.48 118.70 117.62 2dic s GLU 23 Ca -0.15 0.81 0.03 0.00 0.03 0.00 0.00 54.97 55.69 2dic s GLU 23 Cb -0.00 0.41 -0.01 0.00 -0.80 0.00 0.00 34.13 33.73 2dic s GLU 23 CO 0.46 -0.14 0.11 0.00 -1.33 0.00 0.00 175.26 174.36 2dic n ALA 24 N 2.36 0.43 -2.39 -0.84 0.00 -1.17 -4.14 120.51 114.75 2dic n ALA 24 Ca -0.15 -1.58 -0.11 0.00 0.00 0.00 0.00 53.44 51.60 2dic n ALA 24 Cb 0.56 1.06 -0.09 0.00 0.00 0.00 0.00 19.45 20.98 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 -2.70 0.89 0.01 0.00 0.40 -1.26 -3.00 117.98 112.31 2dic s PHE 25 Ca 0.15 -1.18 -0.29 0.00 -0.60 0.00 0.00 56.93 55.02 2dic s PHE 25 Cb 0.01 -0.37 -0.04 0.00 0.51 0.00 0.00 43.02 43.13 2dic s PHE 25 CO 0.11 -0.67 0.92 0.95 0.70 0.00 0.00 175.22 177.23 2dic s THR 26 N -4.09 4.84 -1.82 0.64 -4.23 -0.28 -3.48 115.64 107.23 2dic s THR 26 Ca 0.31 1.95 0.00 0.00 -1.18 0.00 0.00 61.69 62.76 2dic s THR 26 Cb 0.06 -4.27 0.00 0.00 1.34 0.00 0.00 72.50 69.63 2dic s THR 26 CO 0.08 0.21 0.00 0.59 -0.54 0.00 0.00 174.62 174.95 2dic n ASN 27 N 3.67 -5.78 -4.30 3.99 3.02 -0.37 -4.70 115.26 110.79 2dic n ASN 27 Ca 0.04 0.06 -0.28 0.00 -0.03 0.00 0.00 54.58 54.36 2dic n ASN 27 Cb 0.51 -4.84 -0.14 0.00 -0.61 0.00 0.00 39.78 34.70 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 -4.84 1.62 -0.21 3.52 1.02 -1.23 -5.01 119.74 114.63 2dic s LYS 28 Ca 0.00 -1.03 -0.29 0.00 0.02 0.00 0.00 55.97 54.67 2dic s LYS 28 Cb 0.00 -1.77 -0.03 0.00 -0.52 0.00 0.00 37.83 35.51 2dic s LYS 28 CO 0.00 0.46 1.60 -1.25 -0.92 0.00 0.00 175.35 175.24 2dic s PRO 29 N -1.20 3.84 -0.21 -1.68 0.04 -1.26 -4.46 135.00 130.07 2dic s PRO 29 Ca 0.10 1.70 0.02 0.00 0.04 0.00 0.00 61.00 62.85 2dic s PRO 29 Cb -0.09 -4.02 0.04 0.00 0.04 0.00 0.00 34.50 30.46 2dic s PRO 29 CO 0.02 -1.23 -0.16 -0.80 0.04 0.00 0.00 177.00 174.87 2dic s ASN 30 N 4.06 3.62 0.30 6.66 0.01 -0.80 -5.00 114.94 123.79 2dic s ASN 30 Ca 0.71 -0.94 0.06 0.00 -0.71 0.00 0.00 52.86 51.98 2dic s ASN 30 Cb -0.25 -1.48 -0.06 0.00 0.41 0.00 0.00 41.25 39.87 2dic s ASN 30 CO 0.29 -0.08 -0.02 0.68 -1.51 0.00 0.00 177.10 176.45 2dic s VAL 31 N 1.24 1.57 0.15 1.60 -7.23 -1.26 -1.28 120.40 115.19 2dic s VAL 31 Ca -0.01 -2.08 -0.13 0.00 -1.81 0.00 0.00 61.98 57.95 2dic s VAL 31 Cb -0.16 -2.58 0.02 0.00 0.56 0.00 0.00 36.38 34.22 2dic s VAL 31 CO -0.10 -0.20 0.37 0.72 -0.31 0.00 0.00 175.10 175.58 2dic s PHE 32 N -3.05 0.03 -0.08 2.82 -0.71 -1.20 -1.73 117.98 114.05 2dic s PHE 32 Ca 0.32 -0.39 -0.16 0.00 -1.04 0.00 0.00 56.93 55.66 2dic s PHE 32 Cb 0.05 0.17 -0.05 0.00 -1.21 0.00 0.00 43.02 41.98 2dic s PHE 32 CO 0.13 -0.75 0.41 0.99 -1.34 0.00 0.00 175.22 174.67 2dic s THR 33 N -3.88 5.16 -0.31 -4.49 2.01 0.95 -4.13 115.64 110.95 2dic s THR 33 Ca 0.09 0.82 0.01 0.00 0.31 0.00 0.00 61.69 62.92 2dic s THR 33 Cb 0.02 -3.74 0.09 0.00 0.01 0.00 0.00 72.50 68.89 2dic s THR 33 CO -0.06 0.43 0.07 -0.69 -0.69 0.00 0.00 174.62 173.68 2dic s VAL 34 N -0.04 1.35 -0.48 3.82 1.01 -1.10 -1.28 120.40 123.67 2dic s VAL 34 Ca 0.23 -1.63 -0.26 0.00 0.00 0.00 0.00 61.98 60.31 2dic s VAL 34 Cb -0.15 -1.96 0.03 0.00 0.00 0.00 0.00 36.38 34.30 2dic s VAL 34 CO 0.10 -0.58 1.00 -0.69 0.00 0.00 0.00 175.10 174.93 2dic s VAL 35 N 1.39 4.37 -0.33 2.92 1.01 -0.93 -0.66 120.40 128.18 2dic s VAL 35 Ca 0.08 0.85 0.08 0.00 0.00 0.00 0.00 61.98 62.99 2dic s VAL 35 Cb -0.18 -4.51 0.45 0.00 0.00 0.00 0.00 36.38 32.15 2dic s VAL 35 CO -0.18 -0.93 1.16 0.35 0.00 0.00 0.00 175.10 175.50 2dic n THR 36 N 6.54 2.39 -2.66 3.92 -2.24 -1.26 -2.59 114.28 118.37 2dic n THR 36 Ca 0.08 -4.31 -0.42 0.00 -2.27 0.00 0.00 64.05 57.13 2dic n THR 36 Cb 0.49 -1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 67.68 2dic n THR 36 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dic s ARG 37 N -3.59 3.35 0.00 -0.78 1.70 -1.26 -3.32 118.95 115.04 2dic s ARG 37 Ca 0.48 -0.11 0.00 0.00 -0.47 0.00 0.00 55.73 55.63 2dic s ARG 37 Cb 0.40 -4.09 0.00 0.00 -0.57 0.00 0.00 34.95 30.70 2dic s ARG 37 CO -0.02 -1.77 0.00 0.41 -1.08 0.00 0.00 175.30 172.84 2dic n GLY 38 N 5.18 0.68 0.09 3.88 0.00 -1.26 -4.96 105.19 108.80 2dic n GLY 38 Ca 0.04 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 0.15 0.00 4.61 0.00 -1.85 -3.46 119.26 118.71 2dic h ALA 39 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2dic h ALA 39 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2dic h ALA 39 CO 0.00 -0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.41 2dic n GLY 40 N -0.64 -2.34 2.96 0.00 0.00 -1.26 -0.27 105.19 103.64 2dic n GLY 40 Ca -0.05 -1.24 -0.33 0.00 0.00 0.00 0.00 46.02 44.40 2dic n GLY 40 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2dic n ILE 41 N 0.61 2.72 0.00 -0.61 5.41 -1.26 -4.99 119.36 121.24 2dic n ILE 41 Ca 0.00 -5.12 0.00 0.00 1.00 0.00 0.00 62.75 58.63 2dic n ILE 41 Cb 0.00 -2.27 0.00 0.00 -0.71 0.00 0.00 39.64 36.66 2dic n ILE 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2dic n GLY 42 N 1.95 5.13 2.86 7.39 0.00 -1.26 -4.99 105.19 116.26 2dic n GLY 42 Ca 0.23 -0.70 -0.18 0.00 0.00 0.00 0.00 46.02 45.36 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 0.32 0.09 -0.02 0.00 -1.26 -4.92 107.32 101.54 2dic s GLY 43 Ca 0.00 0.07 -0.26 0.00 0.00 0.00 0.00 44.72 44.52 2dic s GLY 43 CO 0.00 0.49 0.81 -2.27 0.00 0.00 0.00 173.10 172.13 2dic s LEU 44 N 0.91 4.50 -0.28 0.66 2.96 -1.26 -0.38 118.68 125.79 2dic s LEU 44 Ca -0.10 1.58 -0.01 0.00 -0.22 0.00 0.00 54.13 55.38 2dic s LEU 44 Cb -0.14 -3.33 0.09 0.00 0.50 0.00 0.00 46.19 43.31 2dic s LEU 44 CO -0.01 0.05 0.07 -0.83 -1.32 0.00 0.00 176.35 174.31 2dic s GLY 45 N -0.34 1.03 -0.15 7.98 0.00 -0.29 -4.98 107.32 110.56 2dic s GLY 45 Ca 0.40 -1.43 -0.05 0.00 0.00 0.00 0.00 44.72 43.64 2dic s GLY 45 CO 0.25 1.49 0.01 -0.42 0.00 0.00 0.00 173.10 174.43 2dic s ILE 46 N 1.64 4.30 0.05 0.90 1.01 -1.26 -2.07 121.20 125.76 2dic s ILE 46 Ca 0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 60.65 60.45 2dic s ILE 46 Cb -0.17 -2.89 -0.02 0.00 0.01 0.00 0.00 42.46 39.39 2dic s ILE 46 CO -0.19 0.51 0.04 0.42 0.00 0.00 0.00 174.94 175.72 2dic s THR 47 N 0.10 0.17 -0.06 2.92 -4.23 0.09 -5.00 115.64 109.63 2dic s THR 47 Ca 0.02 -1.43 0.04 0.00 -1.18 0.00 0.00 61.69 59.14 2dic s THR 47 Cb -0.13 -1.20 -0.00 0.00 1.34 0.00 0.00 72.50 72.51 2dic s THR 47 CO 0.02 -0.79 -0.18 -0.69 -0.54 0.00 0.00 174.62 172.44 2dic s VAL 48 N -3.32 1.53 -0.07 2.29 1.01 -1.26 0.23 120.40 120.81 2dic s VAL 48 Ca 0.01 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.29 2dic s VAL 48 Cb 0.03 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 2dic s VAL 48 CO -0.08 0.44 -0.24 -1.61 0.00 0.00 0.00 175.10 173.61 2dic s GLU 49 N 0.18 2.70 0.01 2.72 2.02 -1.03 -4.74 118.70 120.56 2dic s GLU 49 Ca -0.08 -0.89 -0.01 0.00 0.02 0.00 0.00 54.97 54.01 2dic s GLU 49 Cb -0.13 -2.22 0.00 0.00 0.10 0.00 0.00 34.13 31.88 2dic s GLU 49 CO 0.04 0.33 0.04 0.41 0.02 0.00 0.00 175.26 176.09 2dic n GLY 50 N 3.10 1.15 0.00 -1.39 0.00 -1.26 -1.39 105.19 105.40 2dic n GLY 50 Ca -0.18 -0.91 0.08 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.03 0.40 -3.63 1.61 -0.04 -1.26 -4.72 135.00 127.33 2dic n PRO 51 Ca -0.00 0.05 -0.15 0.00 -0.04 0.00 0.00 63.50 63.36 2dic n PRO 51 Cb 0.02 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.91 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 -2.18 -0.40 -0.08 3.54 1.04 -1.26 -4.97 113.70 109.39 2dic s SER 52 Ca 0.20 0.30 -0.30 0.00 0.48 0.00 0.00 55.95 56.63 2dic s SER 52 Cb 0.10 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 2dic s SER 52 CO 0.19 -0.58 1.33 -0.70 0.98 0.00 0.00 173.24 174.46 2dic s GLU 53 N -1.66 4.27 -0.12 4.02 2.12 -1.26 -4.77 118.70 121.31 2dic s GLU 53 Ca -0.10 1.81 -0.06 0.00 0.36 0.00 0.00 54.97 56.98 2dic s GLU 53 Cb -0.02 -3.68 -0.04 0.00 0.26 0.00 0.00 34.13 30.65 2dic s GLU 53 CO 0.04 -0.62 0.11 -1.12 -0.54 0.00 0.00 175.26 173.13 2dic s SER 54 N 1.97 6.09 -0.63 -1.70 0.01 -1.26 -4.41 113.70 113.78 2dic s SER 54 Ca 0.60 0.37 -0.28 0.00 1.31 0.00 0.00 55.95 57.95 2dic s SER 54 Cb -0.27 -1.93 0.03 0.00 0.21 0.00 0.00 66.02 64.06 2dic s SER 54 CO 0.22 0.39 1.29 -0.54 0.41 0.00 0.00 173.24 175.00 2dic s LYS 55 N -0.90 3.34 0.09 12.44 1.02 -0.89 -4.78 119.74 130.07 2dic s LYS 55 Ca 0.14 0.15 -0.06 0.00 0.02 0.00 0.00 55.97 56.23 2dic s LYS 55 Cb -0.12 -4.10 -0.05 0.00 -0.52 0.00 0.00 37.83 33.04 2dic s LYS 55 CO 0.03 -1.91 0.34 0.42 -0.92 0.00 0.00 175.35 173.31 2dic s ILE 56 N 5.55 5.21 -0.13 2.17 1.01 -1.26 -2.20 121.20 131.55 2dic s ILE 56 Ca 0.43 0.09 -0.06 0.00 0.00 0.00 0.00 60.65 61.11 2dic s ILE 56 Cb -0.08 -3.61 0.06 0.00 0.01 0.00 0.00 42.46 38.83 2dic s ILE 56 CO 0.22 0.17 0.30 0.20 0.00 0.00 0.00 174.94 175.83 2dic s ASN 57 N -2.14 -0.15 -0.15 3.58 0.01 0.43 -4.98 114.94 111.54 2dic s ASN 57 Ca 0.36 0.66 -0.08 0.00 -0.71 0.00 0.00 52.86 53.09 2dic s ASN 57 Cb -0.13 0.65 -0.04 0.00 0.41 0.00 0.00 41.25 42.14 2dic s ASN 57 CO 0.22 -0.20 0.12 0.00 -1.51 0.00 0.00 177.10 175.73 2dic s ARG 59 N -0.49 1.93 -0.19 0.00 0.52 -0.15 -5.02 118.95 115.56 2dic s ARG 59 Ca 0.12 -1.01 -0.15 0.00 -0.52 0.00 0.00 55.73 54.17 2dic s ARG 59 Cb -0.12 -1.98 -0.04 0.00 0.52 0.00 0.00 34.95 33.33 2dic s ARG 59 CO 0.02 0.53 0.35 0.16 0.02 0.00 0.00 175.30 176.37 2dic s ASP 60 N -0.92 6.42 0.14 0.23 -4.77 -1.26 -2.86 116.67 113.65 2dic s ASP 60 Ca 0.11 0.49 0.04 0.00 -3.30 0.00 0.00 52.55 49.89 2dic s ASP 60 Cb -0.10 -2.21 -0.04 0.00 -1.09 0.00 0.00 42.92 39.49 2dic s ASP 60 CO 0.01 -0.00 0.17 0.20 0.70 0.00 0.00 175.17 176.24 2dic s ASN 61 N 0.83 5.80 -0.43 2.11 0.01 -1.26 -5.02 114.94 116.97 2dic s ASN 61 Ca 0.18 -0.00 0.04 0.00 -0.71 0.00 0.00 52.86 52.37 2dic s ASN 61 Cb -0.14 -1.61 0.52 0.00 0.41 0.00 0.00 41.25 40.43 2dic s ASN 61 CO 0.06 0.09 1.69 0.29 -1.51 0.00 0.00 177.10 177.72 2dic n LYS 62 N -0.22 2.46 0.01 -0.60 5.02 -1.26 -4.64 118.16 118.94 2dic n LYS 62 Ca -0.08 -3.34 -0.00 0.00 -2.02 0.00 0.00 58.31 52.87 2dic n LYS 62 Cb 0.54 -2.11 -0.00 0.00 -0.02 0.00 0.00 35.03 33.44 2dic n LYS 62 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2dic n ASP 63 N -1.01 0.33 0.00 4.39 8.00 -1.26 -5.07 116.55 121.93 2dic n ASP 63 Ca 0.50 0.04 0.00 0.00 0.71 0.00 0.00 54.79 56.04 2dic n ASP 63 Cb 1.07 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 42.04 2dic n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dic n GLY 64 N 3.35 -0.03 2.41 0.44 0.00 -1.26 -5.16 105.19 104.94 2dic n GLY 64 Ca -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 2dic n GLY 64 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dic n SER 65 N 0.00 -1.00 -4.24 1.61 7.64 -1.26 -4.19 113.62 112.17 2dic n SER 65 Ca 0.00 -1.47 -0.23 0.00 1.01 0.00 0.00 58.87 58.18 2dic n SER 65 Cb 0.00 1.62 -0.13 0.00 -1.01 0.00 0.00 64.21 64.69 2dic n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dic s SER 67 N -1.70 3.09 -0.04 0.00 0.15 -1.14 -2.71 113.70 111.35 2dic s SER 67 Ca 0.04 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.16 2dic s SER 67 Cb -0.10 -1.11 0.03 0.00 -1.71 0.00 0.00 66.02 63.12 2dic s SER 67 CO 0.03 0.20 -0.01 0.00 1.20 0.00 0.00 173.24 174.66 2dic s ALA 68 N 0.07 0.53 0.09 5.45 0.00 -1.26 -0.98 121.76 125.67 2dic s ALA 68 Ca -0.11 0.02 0.09 0.00 0.00 0.00 0.00 51.96 51.96 2dic s ALA 68 Cb -0.16 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 2dic s ALA 68 CO 0.06 -0.16 -0.24 -1.83 0.00 0.00 0.00 175.76 173.60 2dic s GLU 69 N 1.25 1.39 0.02 0.00 1.03 -0.40 -3.26 118.70 118.72 2dic s GLU 69 Ca -0.06 -1.17 -0.08 0.00 0.03 0.00 0.00 54.97 53.69 2dic s GLU 69 Cb -0.13 -1.68 -0.00 0.00 -0.80 0.00 0.00 34.13 31.51 2dic s GLU 69 CO -0.02 0.41 0.14 1.52 -1.33 0.00 0.00 175.26 175.98 2dic s TYR 70 N -0.99 0.08 -0.23 4.83 1.13 -0.40 -0.43 117.35 121.34 2dic s TYR 70 Ca 0.10 -0.25 -0.04 0.00 -1.41 0.00 0.00 57.07 55.47 2dic s TYR 70 Cb -0.10 -0.06 0.08 0.00 -1.10 0.00 0.00 41.96 40.78 2dic s TYR 70 CO 0.04 -0.34 0.13 0.42 -2.51 0.00 0.00 175.55 173.29 2dic s ILE 71 N -1.95 -0.12 1.00 -3.49 1.01 -0.93 -1.91 121.20 114.82 2dic s ILE 71 Ca -0.10 -0.44 -0.12 0.00 0.00 0.00 0.00 60.65 59.98 2dic s ILE 71 Cb -0.05 -0.78 0.19 0.00 0.01 0.00 0.00 42.46 41.83 2dic s ILE 71 CO -0.01 -0.49 1.09 -2.16 0.00 0.00 0.00 174.94 173.38 2dic s PRO 72 N 2.15 0.39 0.00 2.79 0.04 -1.26 -2.09 135.00 137.02 2dic s PRO 72 Ca 0.06 0.51 0.00 0.00 0.04 0.00 0.00 61.00 61.61 2dic s PRO 72 Cb -0.16 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2dic s PRO 72 CO -0.23 -2.75 0.00 1.19 0.04 0.00 0.00 177.00 175.24 2dic n PHE 73 N -4.19 0.00 -3.86 0.56 3.01 -1.26 -1.24 117.46 110.48 2dic n PHE 73 Ca 0.05 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.40 2dic n PHE 73 Cb 0.57 0.00 -0.12 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 -1.39 -0.26 0.53 4.37 0.00 -1.26 -4.79 121.76 118.95 2dic s ALA 74 Ca 0.00 0.07 -0.20 0.00 0.00 0.00 0.00 51.96 51.83 2dic s ALA 74 Cb 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 23.12 23.01 2dic s ALA 74 CO 0.00 -0.12 1.14 -1.25 0.00 0.00 0.00 175.76 175.52 2dic s PRO 75 N -0.62 3.42 0.00 0.00 0.04 -1.26 -4.82 135.00 131.76 2dic s PRO 75 Ca -0.07 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.61 2dic s PRO 75 Cb -0.04 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2dic s PRO 75 CO 0.01 -0.80 0.00 0.41 0.04 0.00 0.00 177.00 176.66 2dic n GLY 76 N 0.21 -0.40 3.60 0.56 0.00 -0.47 -4.92 105.19 103.76 2dic n GLY 76 Ca 0.11 -1.50 -0.40 0.00 0.00 0.00 0.00 46.02 44.22 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 -4.00 6.40 0.14 1.61 1.47 -1.26 -1.49 116.67 119.54 2dic s ASP 77 Ca 0.00 0.34 0.07 0.00 1.18 0.00 0.00 52.55 54.13 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 -0.37 -0.02 -0.31 0.68 0.00 0.00 175.17 175.15 2dic s TYR 78 N 2.38 2.86 -0.27 2.11 1.51 -1.18 -4.67 117.35 120.09 2dic s TYR 78 Ca 0.21 -0.11 0.02 0.00 -1.01 0.00 0.00 57.07 56.17 2dic s TYR 78 Cb -0.15 -1.42 0.07 0.00 -0.11 0.00 0.00 41.96 40.35 2dic s TYR 78 CO 0.11 0.49 -0.02 -0.51 -1.11 0.00 0.00 175.55 174.51 2dic s ASP 79 N -2.67 4.17 -0.45 2.29 1.11 -0.49 -2.28 116.67 118.35 2dic s ASP 79 Ca 0.26 -1.49 -0.29 0.00 0.18 0.00 0.00 52.55 51.21 2dic s ASP 79 Cb -0.10 -1.30 0.02 0.00 1.07 0.00 0.00 42.92 42.61 2dic s ASP 79 CO 0.18 -0.28 1.20 -0.69 1.18 0.00 0.00 175.17 176.75 2dic s VAL 80 N 1.27 4.15 -0.08 -1.27 1.01 -1.11 -2.46 120.40 121.91 2dic s VAL 80 Ca -0.01 1.18 -0.19 0.00 0.00 0.00 0.00 61.98 62.97 2dic s VAL 80 Cb -0.19 -4.50 -0.05 0.00 0.00 0.00 0.00 36.38 31.64 2dic s VAL 80 CO -0.09 -0.93 0.50 0.20 0.00 0.00 0.00 175.10 174.79 2dic s ASN 81 N 2.75 6.77 -0.05 3.32 0.01 0.14 -1.68 114.94 126.20 2dic s ASN 81 Ca 0.51 0.92 -0.00 0.00 -0.71 0.00 0.00 52.86 53.58 2dic s ASN 81 Cb -0.09 -2.30 0.03 0.00 0.41 0.00 0.00 41.25 39.29 2dic s ASN 81 CO 0.31 0.05 -0.00 -0.63 -1.51 0.00 0.00 177.10 175.32 2dic s ILE 82 N 0.26 0.32 0.07 0.60 1.01 -1.26 -0.73 121.20 121.47 2dic s ILE 82 Ca 0.27 0.09 0.03 0.00 0.00 0.00 0.00 60.65 61.04 2dic s ILE 82 Cb -0.16 -0.44 -0.03 0.00 0.01 0.00 0.00 42.46 41.84 2dic s ILE 82 CO 0.12 0.22 -0.09 0.42 0.00 0.00 0.00 174.94 175.61 2dic s THR 83 N 1.53 0.75 -0.33 2.92 -4.23 -0.88 -2.10 115.64 113.30 2dic s THR 83 Ca -0.02 -1.41 0.03 0.00 -1.18 0.00 0.00 61.69 59.10 2dic s THR 83 Cb -0.13 -1.06 0.10 0.00 1.34 0.00 0.00 72.50 72.74 2dic s THR 83 CO -0.03 -0.50 0.05 -0.47 -0.54 0.00 0.00 174.62 173.14 2dic s TYR 84 N -2.05 3.30 0.00 3.99 5.04 -0.49 -1.14 117.35 126.00 2dic s TYR 84 Ca -0.01 -2.70 0.00 0.00 -2.44 0.00 0.00 57.07 51.92 2dic s TYR 84 Cb -0.05 -2.62 0.00 0.00 0.35 0.00 0.00 41.96 39.63 2dic s TYR 84 CO -0.00 -0.93 0.00 0.41 -1.34 0.00 0.00 175.55 173.69 2dic n GLY 85 N 4.39 1.85 0.43 8.97 0.00 0.48 -3.58 105.19 117.73 2dic n GLY 85 Ca 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 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 0.23 3.12 -0.02 0.00 -1.26 -4.82 105.19 102.44 2dic n GLY 86 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.71 -0.18 4.61 0.00 -1.24 -5.14 121.76 120.52 2dic s ALA 87 Ca 0.00 -1.22 -0.16 0.00 0.00 0.00 0.00 51.96 50.58 2dic s ALA 87 Cb 0.00 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 2dic s ALA 87 CO 0.00 -0.28 0.38 -1.01 0.00 0.00 0.00 175.76 174.85 2dic s HIS 88 N -3.53 3.41 0.59 0.00 0.09 -1.26 -1.40 115.29 113.19 2dic s HIS 88 Ca 0.07 0.64 -0.18 0.00 -0.00 0.00 0.00 55.06 55.59 2dic s HIS 88 Cb 0.05 -2.48 -0.04 0.00 -0.00 0.00 0.00 32.58 30.11 2dic s HIS 88 CO -0.07 0.08 1.15 0.96 -0.00 0.00 0.00 174.74 176.86 2dic s ILE 89 N 1.01 2.97 -0.77 0.60 -4.36 -0.89 -4.88 121.20 114.87 2dic s ILE 89 Ca 0.19 0.57 -0.25 0.00 -0.26 0.00 0.00 60.65 60.89 2dic s ILE 89 Cb -0.14 -3.18 -0.04 0.00 1.25 0.00 0.00 42.46 40.35 2dic s ILE 89 CO 0.07 -0.17 1.91 -2.16 0.24 0.00 0.00 174.94 174.84 2dic s PRO 90 N -3.48 2.58 0.00 0.37 0.04 -1.25 -2.66 135.00 130.60 2dic s PRO 90 Ca 0.73 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.88 2dic s PRO 90 Cb -0.25 -4.77 0.00 0.00 0.04 0.00 0.00 34.50 29.52 2dic s PRO 90 CO 0.32 -3.10 0.00 0.41 0.04 0.00 0.00 177.00 174.67 2dic n GLY 91 N 6.35 0.31 3.62 0.56 0.00 -1.26 -4.94 105.19 109.82 2dic n GLY 91 Ca 0.32 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.06 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 4.55 0.49 1.61 0.15 -1.09 -3.63 113.70 115.78 2dic s SER 92 Ca 0.00 -0.43 -0.22 0.00 0.70 0.00 0.00 55.95 56.01 2dic s SER 92 Cb 0.00 -0.90 -0.07 0.00 -1.71 0.00 0.00 66.02 63.34 2dic s SER 92 CO 0.00 0.12 1.15 -2.16 1.20 0.00 0.00 173.24 173.55 2dic s PRO 93 N -2.67 3.62 -0.46 5.44 0.04 -1.26 -4.88 135.00 134.83 2dic s PRO 93 Ca 0.25 1.71 -0.18 0.00 0.04 0.00 0.00 61.00 62.82 2dic s PRO 93 Cb -0.10 -2.26 0.04 0.00 0.04 0.00 0.00 34.50 32.22 2dic s PRO 93 CO 0.16 -0.66 0.51 -0.06 0.04 0.00 0.00 177.00 177.00 2dic s PHE 94 N -1.63 3.13 0.06 0.56 0.40 -0.67 -4.79 117.98 115.04 2dic s PHE 94 Ca 0.67 -0.47 -0.31 0.00 -0.60 0.00 0.00 56.93 56.23 2dic s PHE 94 Cb -0.27 -3.17 -0.08 0.00 0.51 0.00 0.00 43.02 40.01 2dic s PHE 94 CO 0.32 -0.83 1.62 0.50 0.70 0.00 0.00 175.22 177.53 2dic s ARG 95 N 2.29 4.21 -0.10 0.44 6.06 -1.26 -2.76 118.95 127.83 2dic s ARG 95 Ca 0.13 2.28 -0.01 0.00 -2.50 0.00 0.00 55.73 55.63 2dic s ARG 95 Cb -0.18 -3.61 0.03 0.00 0.06 0.00 0.00 34.95 31.25 2dic s ARG 95 CO 0.13 -0.72 -0.03 0.08 -2.50 0.00 0.00 175.30 172.26 2dic s VAL 96 N 2.66 0.70 -0.43 7.11 1.01 -0.97 -4.83 120.40 125.66 2dic s VAL 96 Ca 0.73 -0.12 -0.28 0.00 0.00 0.00 0.00 61.98 62.31 2dic s VAL 96 Cb -0.38 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 2dic s VAL 96 CO 0.31 0.28 1.75 -2.16 0.00 0.00 0.00 175.10 175.28 2dic s PRO 97 N 1.84 3.17 -0.54 2.72 0.04 -1.26 -3.11 135.00 137.85 2dic s PRO 97 Ca 0.05 1.09 -0.22 0.00 0.04 0.00 0.00 61.00 61.96 2dic s PRO 97 Cb -0.13 -4.22 0.05 0.00 0.04 0.00 0.00 34.50 30.24 2dic s PRO 97 CO -0.07 -2.07 0.79 0.08 0.04 0.00 0.00 177.00 175.77 2dic s VAL 98 N 7.28 4.63 0.55 -0.36 1.01 -0.56 -3.04 120.40 129.91 2dic s VAL 98 Ca 0.73 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.54 2dic s VAL 98 Cb -0.18 -4.43 0.02 0.00 0.00 0.00 0.00 36.38 31.79 2dic s VAL 98 CO 0.30 -0.98 0.81 -0.54 0.00 0.00 0.00 175.10 174.68 2dic s LYS 99 N 3.30 2.70 -0.20 2.72 1.02 -1.16 -1.37 119.74 126.74 2dic s LYS 99 Ca 0.22 -0.48 -0.05 0.00 0.02 0.00 0.00 55.97 55.68 2dic s LYS 99 Cb -0.16 -2.42 -0.02 0.00 -0.52 0.00 0.00 37.83 34.71 2dic s LYS 99 CO 0.15 -0.67 -0.00 0.16 -0.92 0.00 0.00 175.35 174.07 2dic s ASP 100 N -4.36 4.78 0.34 2.83 -4.77 -1.26 -1.12 116.67 113.12 2dic s ASP 100 Ca 0.55 -0.22 0.13 0.00 -3.30 0.00 0.00 52.55 49.70 2dic s ASP 100 Cb -0.10 -1.82 1.09 0.00 -1.09 0.00 0.00 42.92 40.99 2dic s ASP 100 CO 0.40 0.05 1.58 0.58 0.70 0.00 0.00 175.17 178.48 2dic h VAL 101 N 5.43 0.02 -4.04 2.11 2.07 -1.98 -3.42 116.25 116.43 2dic h VAL 101 Ca -0.37 -0.01 -0.18 0.00 0.82 0.00 0.00 66.70 66.97 2dic h VAL 101 Cb 1.18 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.85 2dic h VAL 101 CO 0.61 0.00 -0.26 0.68 0.02 0.00 0.00 177.57 178.61 2dic s VAL 102 N -5.73 0.00 -0.15 2.57 -7.23 -1.26 -5.16 120.40 103.44 2dic s VAL 102 Ca -0.11 -1.62 -0.03 0.00 -1.81 0.00 0.00 61.98 58.41 2dic s VAL 102 Cb 0.32 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.81 2dic s VAL 102 CO 0.78 0.00 -0.04 1.51 -0.31 0.00 0.00 175.10 177.04 2dic s ASP 103 N -3.13 4.76 1.19 4.85 -4.77 -1.26 -5.12 116.67 113.20 2dic s ASP 103 Ca 0.29 -0.14 -0.16 0.00 -3.30 0.00 0.00 52.55 49.25 2dic s ASP 103 Cb 0.01 -1.77 0.24 0.00 -1.09 0.00 0.00 42.92 40.31 2dic s ASP 103 CO 0.14 0.17 0.84 -0.81 0.70 0.00 0.00 175.17 176.21 2dic n PRO 104 N 3.51 -2.67 0.00 2.11 -0.04 -1.26 -5.26 135.00 131.39 2dic n PRO 104 Ca -0.17 -1.35 0.00 0.00 -0.04 0.00 0.00 63.50 61.94 2dic n PRO 104 Cb 0.52 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 2dic n PRO 104 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91