#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 6.38 -0.03 1.61 0.01 -1.26 -5.02 113.70 115.40 2dic s SER 2 Ca 0.00 -0.22 -0.02 0.00 1.31 0.00 0.00 55.95 57.02 2dic s SER 2 Cb 0.00 -2.38 0.01 0.00 0.21 0.00 0.00 66.02 63.86 2dic s SER 2 CO 0.00 -0.95 0.07 -0.44 0.41 0.00 0.00 173.24 172.33 2dic s SER 3 N 2.26 -0.05 0.85 2.44 0.01 -1.26 -5.16 113.70 112.79 2dic s SER 3 Ca 0.28 0.13 -0.05 0.00 1.31 0.00 0.00 55.95 57.62 2dic s SER 3 Cb -0.13 0.10 0.09 0.00 0.21 0.00 0.00 66.02 66.29 2dic s SER 3 CO 0.21 -0.06 0.56 0.61 0.41 0.00 0.00 173.24 174.98 2dic n GLY 4 N 3.40 -0.64 2.79 3.44 0.00 -1.26 -5.07 105.19 107.85 2dic n GLY 4 Ca -0.17 -1.79 -0.30 0.00 0.00 0.00 0.00 46.02 43.77 2dic n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dic s SER 5 N -3.11 4.02 -0.07 1.61 0.01 -1.26 -5.10 113.70 109.80 2dic s SER 5 Ca 0.33 -2.26 0.05 0.00 1.31 0.00 0.00 55.95 55.38 2dic s SER 5 Cb -0.01 -1.13 -0.01 0.00 0.21 0.00 0.00 66.02 65.08 2dic s SER 5 CO 0.23 -0.33 -0.25 -0.44 0.41 0.00 0.00 173.24 172.86 2dic s SER 6 N 0.80 3.10 0.00 2.44 0.01 -1.26 -4.78 113.70 114.00 2dic s SER 6 Ca 0.14 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.88 2dic s SER 6 Cb -0.21 -1.01 0.00 0.00 0.21 0.00 0.00 66.02 65.00 2dic s SER 6 CO -0.09 0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.39 2dic n GLY 7 N 3.11 3.87 3.65 3.44 0.00 -1.26 -5.10 105.19 112.90 2dic n GLY 7 Ca -0.18 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 2dic n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dic s GLY 8 N 0.00 1.35 0.54 -0.02 0.00 -1.26 -4.93 107.32 103.00 2dic s GLY 8 Ca 0.00 1.02 0.08 0.00 0.00 0.00 0.00 44.72 45.82 2dic s GLY 8 CO 0.00 3.30 0.65 0.00 0.00 0.00 0.00 173.10 177.05 2dic s GLN 10 N -4.39 1.79 0.00 0.00 -0.21 0.93 -4.94 119.66 112.84 2dic s GLN 10 Ca 0.50 -2.44 0.15 0.00 0.02 0.00 0.00 55.36 53.58 2dic s GLN 10 Cb -0.04 -3.06 0.84 0.00 1.00 0.00 0.00 33.01 31.75 2dic s GLN 10 CO 0.31 -1.12 1.37 -0.35 -2.12 0.00 0.00 175.29 173.39 2dic n PRO 11 N 3.25 0.35 0.01 2.91 -0.04 -1.26 -2.48 135.00 137.75 2dic n PRO 11 Ca 0.06 0.07 -0.13 0.00 -0.04 0.00 0.00 63.50 63.46 2dic n PRO 11 Cb 0.33 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.15 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 0.19 0.44 3.54 0.02 -1.92 -3.31 113.55 112.51 2dic h SER 12 Ca 0.00 -0.34 -0.01 0.00 -0.84 0.00 0.00 61.79 60.60 2dic h SER 12 Cb 0.07 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2dic h SER 12 CO 0.00 1.30 -0.04 0.03 -1.14 0.00 0.00 176.83 176.97 2dic h ARG 13 N 0.03 0.00 -6.95 3.45 2.47 -1.74 -3.44 114.38 108.21 2dic h ARG 13 Ca -0.28 0.00 -0.51 0.00 -1.26 0.00 0.00 59.98 57.93 2dic h ARG 13 Cb 2.00 0.00 0.06 0.00 -1.65 0.00 0.00 29.97 30.38 2dic h ARG 13 CO 0.11 0.04 0.52 0.08 0.56 0.00 0.00 179.97 181.28 2dic s VAL 14 N -4.03 3.07 -0.02 2.04 1.01 -1.25 -4.83 120.40 116.40 2dic s VAL 14 Ca -0.02 0.90 0.01 0.00 0.00 0.00 0.00 61.98 62.87 2dic s VAL 14 Cb 0.12 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 33.01 2dic s VAL 14 CO 0.52 0.08 -0.04 -1.10 0.00 0.00 0.00 175.10 174.56 2dic s GLN 15 N -2.33 0.51 -0.14 2.72 -0.21 -0.96 -4.78 119.66 114.48 2dic s GLN 15 Ca 0.58 -0.09 0.00 0.00 0.02 0.00 0.00 55.36 55.87 2dic s GLN 15 Cb -0.31 -0.55 0.03 0.00 1.00 0.00 0.00 33.01 33.17 2dic s GLN 15 CO 0.40 -0.01 -0.11 0.00 -2.12 0.00 0.00 175.29 173.44 2dic s ALA 16 N 0.50 1.64 -0.11 6.09 0.00 -1.26 -0.66 121.76 127.97 2dic s ALA 16 Ca -0.06 -0.78 -0.13 0.00 0.00 0.00 0.00 51.96 50.99 2dic s ALA 16 Cb -0.09 -1.02 0.03 0.00 0.00 0.00 0.00 23.12 22.05 2dic s ALA 16 CO -0.00 -0.45 0.35 1.14 0.00 0.00 0.00 175.76 176.80 2dic s GLN 17 N 1.58 0.49 0.00 0.00 -2.07 -0.44 -4.98 119.66 114.24 2dic s GLN 17 Ca 0.04 0.34 0.00 0.00 -1.82 0.00 0.00 55.36 53.93 2dic s GLN 17 Cb -0.13 0.23 0.00 0.00 -1.09 0.00 0.00 33.01 32.02 2dic s GLN 17 CO -0.09 -0.08 0.00 0.41 -1.32 0.00 0.00 175.29 174.20 2dic n GLY 18 N 2.49 -1.07 0.11 2.60 0.00 -1.26 -0.36 105.19 107.70 2dic n GLY 18 Ca -0.15 -1.31 -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 1.00 0.25 0.00 1.61 0.13 -1.89 -2.17 132.00 130.93 2dic h PRO 19 Ca 0.00 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2dic h PRO 19 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2dic h PRO 19 CO 0.00 0.67 0.38 0.78 -0.23 0.00 0.00 178.00 179.60 2dic h GLY 20 N -0.15 0.00 0.00 1.56 0.00 -0.58 0.26 103.07 104.15 2dic h GLY 20 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.03 2dic h GLY 20 CO 0.03 0.00 -2.21 1.04 0.00 0.00 0.00 176.54 175.40 2dic n LEU 21 N -2.49 0.41 -0.02 3.11 4.77 -1.15 -4.60 117.00 117.03 2dic n LEU 21 Ca -0.01 -0.02 -0.12 0.00 -0.03 0.00 0.00 56.01 55.83 2dic n LEU 21 Cb 0.41 0.27 -0.10 0.00 -2.33 0.00 0.00 43.42 41.67 2dic n LEU 21 CO 0.09 0.49 0.45 0.50 -1.33 0.00 0.00 177.39 177.60 2dic h LYS 22 N 0.00 -0.05 -1.79 3.23 3.64 -0.01 -3.43 116.57 118.16 2dic h LYS 22 Ca -0.48 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 58.92 2dic h LYS 22 Cb 2.04 0.01 -0.22 0.00 -0.41 0.00 0.00 32.23 33.65 2dic h LYS 22 CO 0.01 0.60 0.33 -1.83 -2.27 0.00 0.00 179.45 176.30 2dic s GLU 23 N -3.14 0.76 0.25 1.90 -1.05 0.59 -4.66 118.70 113.35 2dic s GLU 23 Ca -0.16 0.46 0.04 0.00 -0.15 0.00 0.00 54.97 55.16 2dic s GLU 23 Cb -0.01 0.36 -0.01 0.00 -0.44 0.00 0.00 34.13 34.03 2dic s GLU 23 CO 0.60 -0.18 0.13 0.00 0.95 0.00 0.00 175.26 176.76 2dic n ALA 24 N 1.54 0.41 -2.63 -0.84 0.00 -1.19 -4.26 120.51 113.55 2dic n ALA 24 Ca -0.14 -1.31 -0.10 0.00 0.00 0.00 0.00 53.44 51.89 2dic n ALA 24 Cb 0.57 0.96 -0.07 0.00 0.00 0.00 0.00 19.45 20.90 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 -2.68 0.45 0.00 0.00 0.40 -1.26 -3.13 117.98 111.77 2dic s PHE 25 Ca 0.18 -0.82 -0.30 0.00 -0.60 0.00 0.00 56.93 55.39 2dic s PHE 25 Cb 0.01 -0.12 -0.04 0.00 0.51 0.00 0.00 43.02 43.38 2dic s PHE 25 CO 0.13 -0.68 1.14 0.95 0.70 0.00 0.00 175.22 177.46 2dic s THR 26 N -3.97 4.32 -1.46 0.64 -4.23 0.36 -3.21 115.64 108.09 2dic s THR 26 Ca 0.18 1.66 -0.04 0.00 -1.18 0.00 0.00 61.69 62.31 2dic s THR 26 Cb 0.04 -4.06 0.00 0.00 1.34 0.00 0.00 72.50 69.82 2dic s THR 26 CO -0.00 0.08 0.47 0.59 -0.54 0.00 0.00 174.62 175.21 2dic n ASN 27 N 4.39 -5.72 -4.23 3.99 3.02 -0.54 -4.68 115.26 111.48 2dic n ASN 27 Ca 0.09 -0.22 -0.24 0.00 -0.03 0.00 0.00 54.58 54.18 2dic n ASN 27 Cb 0.47 -4.58 -0.14 0.00 -0.61 0.00 0.00 39.78 34.92 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 -5.49 1.26 -0.24 3.52 1.02 -1.20 -5.01 119.74 113.59 2dic s LYS 28 Ca 0.23 -0.92 -0.29 0.00 0.02 0.00 0.00 55.97 55.01 2dic s LYS 28 Cb -0.10 -1.36 -0.02 0.00 -0.52 0.00 0.00 37.83 35.82 2dic s LYS 28 CO 0.29 0.34 1.63 -1.25 -0.92 0.00 0.00 175.35 175.44 2dic s PRO 29 N -1.23 3.72 -0.15 -1.68 0.04 -1.26 -4.43 135.00 130.01 2dic s PRO 29 Ca 0.06 1.59 0.01 0.00 0.04 0.00 0.00 61.00 62.70 2dic s PRO 29 Cb -0.09 -4.06 0.02 0.00 0.04 0.00 0.00 34.50 30.42 2dic s PRO 29 CO 0.02 -1.38 -0.17 -0.80 0.04 0.00 0.00 177.00 174.70 2dic s ASN 30 N 4.47 2.84 0.33 6.66 0.01 -0.85 -5.00 114.94 123.39 2dic s ASN 30 Ca 0.72 -0.54 0.03 0.00 -0.71 0.00 0.00 52.86 52.36 2dic s ASN 30 Cb -0.24 -1.29 -0.05 0.00 0.41 0.00 0.00 41.25 40.08 2dic s ASN 30 CO 0.30 -0.01 0.10 0.68 -1.51 0.00 0.00 177.10 176.66 2dic s VAL 31 N 1.25 0.75 0.21 1.60 -7.23 -1.26 -0.90 120.40 114.81 2dic s VAL 31 Ca 0.01 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.02 2dic s VAL 31 Cb -0.14 -2.59 0.02 0.00 0.56 0.00 0.00 36.38 34.23 2dic s VAL 31 CO -0.09 0.00 0.52 0.72 -0.31 0.00 0.00 175.10 175.94 2dic s PHE 32 N -3.43 -0.03 -0.18 2.82 -0.71 -1.21 0.02 117.98 115.27 2dic s PHE 32 Ca 0.33 -0.33 -0.13 0.00 -1.04 0.00 0.00 56.93 55.77 2dic s PHE 32 Cb 0.06 0.36 -0.05 0.00 -1.21 0.00 0.00 43.02 42.18 2dic s PHE 32 CO 0.15 -0.94 0.24 0.99 -1.34 0.00 0.00 175.22 174.32 2dic s THR 33 N -3.90 5.34 -0.24 -4.49 2.01 0.51 -4.17 115.64 110.70 2dic s THR 33 Ca 0.12 0.43 0.02 0.00 0.31 0.00 0.00 61.69 62.56 2dic s THR 33 Cb -0.01 -3.58 0.06 0.00 0.01 0.00 0.00 72.50 68.98 2dic s THR 33 CO -0.00 0.40 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.55 2dic s VAL 34 N 0.48 1.85 -0.51 3.82 1.01 -1.10 -1.32 120.40 124.63 2dic s VAL 34 Ca 0.14 -1.41 -0.20 0.00 0.00 0.00 0.00 61.98 60.51 2dic s VAL 34 Cb -0.12 -2.02 0.05 0.00 0.00 0.00 0.00 36.38 34.28 2dic s VAL 34 CO 0.02 -0.04 0.70 -0.69 0.00 0.00 0.00 175.10 175.08 2dic s VAL 35 N 1.25 4.76 -0.37 2.92 1.01 0.17 -0.97 120.40 129.17 2dic s VAL 35 Ca -0.07 -0.28 0.06 0.00 0.00 0.00 0.00 61.98 61.69 2dic s VAL 35 Cb -0.19 -4.35 0.44 0.00 0.00 0.00 0.00 36.38 32.28 2dic s VAL 35 CO -0.06 -0.86 1.14 0.35 0.00 0.00 0.00 175.10 175.67 2dic n THR 36 N 5.76 2.37 0.20 3.92 -2.24 -1.26 -2.26 114.28 120.77 2dic n THR 36 Ca -0.04 -4.57 -0.12 0.00 -2.27 0.00 0.00 64.05 57.05 2dic n THR 36 Cb 0.46 -1.11 -0.06 0.00 -2.10 0.00 0.00 70.33 67.51 2dic n THR 36 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2dic h ARG 37 N 2.44 -0.54 -2.15 -0.78 3.08 -1.89 -3.36 114.38 111.18 2dic h ARG 37 Ca 0.31 0.04 -0.68 0.00 0.07 0.00 0.00 59.98 59.71 2dic h ARG 37 Cb 1.18 0.12 -0.36 0.00 0.08 0.00 0.00 29.97 30.99 2dic h ARG 37 CO 0.79 -0.25 0.07 0.41 -1.07 0.00 0.00 179.97 179.92 2dic n GLY 38 N 0.00 5.84 0.24 0.04 0.00 -1.26 -4.73 105.19 105.32 2dic n GLY 38 Ca -0.09 -2.69 -0.11 0.00 0.00 0.00 0.00 46.02 43.14 2dic n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dic n ALA 39 N -0.24 1.24 0.00 4.61 0.00 -1.26 -4.62 120.51 120.24 2dic n ALA 39 Ca 0.40 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2dic n ALA 39 Cb 0.37 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.90 2dic n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dic n GLY 40 N 1.72 -0.99 2.68 0.00 0.00 -1.26 -0.05 105.19 107.29 2dic n GLY 40 Ca -0.18 -0.99 -0.27 0.00 0.00 0.00 0.00 46.02 44.57 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 5.33 1.61 -0.55 -0.61 5.41 -1.26 -5.03 119.36 124.25 2dic n ILE 41 Ca 0.00 -4.86 0.00 0.00 1.00 0.00 0.00 62.75 58.89 2dic n ILE 41 Cb 0.00 -2.12 0.00 0.00 -0.71 0.00 0.00 39.64 36.81 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 1.63 5.29 3.04 7.39 0.00 -1.26 -5.01 105.19 116.27 2dic n GLY 42 Ca 0.24 -0.85 -0.27 0.00 0.00 0.00 0.00 46.02 45.15 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 0.92 -0.05 -0.02 0.00 -1.26 -4.89 107.32 102.02 2dic s GLY 43 Ca 0.00 -0.57 -0.26 0.00 0.00 0.00 0.00 44.72 43.89 2dic s GLY 43 CO 0.00 0.16 0.81 -2.27 0.00 0.00 0.00 173.10 171.80 2dic s LEU 44 N 0.80 4.32 -0.34 0.66 2.96 -1.26 -0.21 118.68 125.61 2dic s LEU 44 Ca -0.11 1.36 0.03 0.00 -0.22 0.00 0.00 54.13 55.19 2dic s LEU 44 Cb -0.16 -3.27 0.10 0.00 0.50 0.00 0.00 46.19 43.37 2dic s LEU 44 CO 0.02 -0.19 0.07 -0.83 -1.32 0.00 0.00 176.35 174.09 2dic s GLY 45 N 0.90 1.83 -0.30 7.98 0.00 0.27 -4.98 107.32 113.02 2dic s GLY 45 Ca 0.43 -2.44 -0.11 0.00 0.00 0.00 0.00 44.72 42.60 2dic s GLY 45 CO 0.21 1.05 0.17 -0.42 0.00 0.00 0.00 173.10 174.11 2dic s ILE 46 N 0.95 4.92 0.29 0.90 1.01 -1.26 -2.28 121.20 125.72 2dic s ILE 46 Ca 0.11 -0.19 0.05 0.00 0.00 0.00 0.00 60.65 60.62 2dic s ILE 46 Cb -0.19 -3.45 -0.06 0.00 0.01 0.00 0.00 42.46 38.78 2dic s ILE 46 CO -0.10 0.13 -0.01 0.42 0.00 0.00 0.00 174.94 175.37 2dic s THR 47 N 1.68 1.39 -0.03 2.92 -4.23 0.39 -4.98 115.64 112.78 2dic s THR 47 Ca 0.06 -2.06 0.02 0.00 -1.18 0.00 0.00 61.69 58.52 2dic s THR 47 Cb -0.17 -2.54 0.01 0.00 1.34 0.00 0.00 72.50 71.14 2dic s THR 47 CO 0.08 -0.21 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.19 2dic s VAL 48 N -3.17 0.65 -0.02 2.29 1.01 -1.26 -0.20 120.40 119.69 2dic s VAL 48 Ca 0.31 -0.28 0.07 0.00 0.00 0.00 0.00 61.98 62.09 2dic s VAL 48 Cb 0.06 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 2dic s VAL 48 CO 0.12 0.21 -0.24 -1.61 0.00 0.00 0.00 175.10 173.58 2dic s GLU 49 N 0.29 2.02 0.00 2.72 0.41 -0.96 -4.72 118.70 118.46 2dic s GLU 49 Ca -0.04 -0.87 0.00 0.00 -0.41 0.00 0.00 54.97 53.64 2dic s GLU 49 Cb -0.09 -1.93 0.00 0.00 -1.78 0.00 0.00 34.13 30.33 2dic s GLU 49 CO 0.00 0.51 0.00 0.41 -0.49 0.00 0.00 175.26 175.70 2dic n GLY 50 N 2.51 0.89 0.00 -1.39 0.00 -1.26 -1.52 105.19 104.42 2dic n GLY 50 Ca -0.16 -0.76 0.07 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 0.19 -3.65 1.61 -0.04 -1.26 -4.73 135.00 127.11 2dic n PRO 51 Ca 0.00 0.16 -0.15 0.00 -0.04 0.00 0.00 63.50 63.47 2dic n PRO 51 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 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 -2.62 -0.44 -0.04 3.54 1.04 -1.26 -4.97 113.70 108.95 2dic s SER 52 Ca 0.13 0.51 -0.30 0.00 0.48 0.00 0.00 55.95 56.77 2dic s SER 52 Cb 0.10 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.71 2dic s SER 52 CO 0.23 -0.46 1.38 -0.70 0.98 0.00 0.00 173.24 174.66 2dic s GLU 53 N -0.99 4.27 -0.04 4.02 2.12 -1.26 -4.74 118.70 122.08 2dic s GLU 53 Ca -0.10 1.90 -0.09 0.00 0.36 0.00 0.00 54.97 57.04 2dic s GLU 53 Cb -0.03 -3.66 -0.05 0.00 0.26 0.00 0.00 34.13 30.66 2dic s GLU 53 CO 0.06 -0.61 0.26 -1.12 -0.54 0.00 0.00 175.26 173.30 2dic s SER 54 N 2.02 6.54 -0.81 -1.70 0.01 -1.26 -4.42 113.70 114.08 2dic s SER 54 Ca 0.62 0.63 -0.26 0.00 1.31 0.00 0.00 55.95 58.26 2dic s SER 54 Cb -0.29 -2.13 0.03 0.00 0.21 0.00 0.00 66.02 63.84 2dic s SER 54 CO 0.24 0.33 1.40 -0.54 0.41 0.00 0.00 173.24 175.09 2dic s LYS 55 N -1.29 3.22 0.19 12.44 1.02 -0.72 -4.77 119.74 129.83 2dic s LYS 55 Ca 0.22 -0.40 -0.11 0.00 0.02 0.00 0.00 55.97 55.69 2dic s LYS 55 Cb -0.14 -4.54 -0.07 0.00 -0.52 0.00 0.00 37.83 32.56 2dic s LYS 55 CO 0.11 -2.26 0.55 0.42 -0.92 0.00 0.00 175.35 173.24 2dic s ILE 56 N 6.00 4.91 -0.22 2.17 1.01 -1.26 -2.56 121.20 131.25 2dic s ILE 56 Ca 0.42 0.61 -0.04 0.00 0.00 0.00 0.00 60.65 61.65 2dic s ILE 56 Cb -0.06 -3.66 0.11 0.00 0.01 0.00 0.00 42.46 38.86 2dic s ILE 56 CO 0.08 0.06 0.33 0.20 0.00 0.00 0.00 174.94 175.61 2dic s ASN 57 N -2.09 0.49 0.48 3.58 0.01 0.42 -4.98 114.94 112.85 2dic s ASN 57 Ca 0.43 0.23 -0.18 0.00 -0.71 0.00 0.00 52.86 52.64 2dic s ASN 57 Cb -0.13 0.91 -0.09 0.00 0.41 0.00 0.00 41.25 42.35 2dic s ASN 57 CO 0.20 -0.29 0.97 0.00 -1.51 0.00 0.00 177.10 176.47 2dic s ARG 59 N -3.76 0.81 -0.20 0.00 0.52 0.15 -4.98 118.95 111.48 2dic s ARG 59 Ca 0.60 -1.29 -0.02 0.00 -0.52 0.00 0.00 55.73 54.49 2dic s ARG 59 Cb -0.10 -0.20 -0.00 0.00 0.52 0.00 0.00 34.95 35.17 2dic s ARG 59 CO 0.25 -0.01 -0.09 0.34 0.02 0.00 0.00 175.30 175.81 2dic s ASP 60 N -2.94 4.02 -0.24 0.23 -1.08 -1.26 -3.28 116.67 112.11 2dic s ASP 60 Ca 0.10 -0.43 -0.11 0.00 -0.52 0.00 0.00 52.55 51.59 2dic s ASP 60 Cb 0.04 -1.67 -0.05 0.00 -1.46 0.00 0.00 42.92 39.79 2dic s ASP 60 CO -0.05 0.01 0.20 0.20 0.52 0.00 0.00 175.17 176.06 2dic s ASN 61 N 1.26 6.15 -0.14 -0.34 0.01 -1.24 -4.96 114.94 115.66 2dic s ASN 61 Ca 0.03 0.15 0.01 0.00 -0.71 0.00 0.00 52.86 52.34 2dic s ASN 61 Cb -0.14 -2.13 0.17 0.00 0.41 0.00 0.00 41.25 39.56 2dic s ASN 61 CO -0.04 0.02 1.49 1.17 -1.51 0.00 0.00 177.10 178.23 2dic n LYS 62 N 4.45 1.39 0.01 -0.60 3.00 -1.26 -3.88 118.16 121.27 2dic n LYS 62 Ca -0.14 -0.87 0.00 0.00 -0.00 0.00 0.00 58.31 57.31 2dic n LYS 62 Cb 0.52 -1.34 0.00 0.00 0.00 0.00 0.00 35.03 34.21 2dic n LYS 62 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2dic n ASP 63 N 0.28 0.18 0.00 3.14 8.00 -1.26 -5.06 116.55 121.82 2dic n ASP 63 Ca 0.17 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.70 2dic n ASP 63 Cb 0.74 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.79 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 3.05 -0.27 3.46 0.44 0.00 -1.25 -5.18 105.19 105.44 2dic n GLY 64 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 2dic n GLY 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dic n SER 65 N 0.00 -1.35 -4.22 1.61 3.41 -1.26 -4.61 113.62 107.20 2dic n SER 65 Ca 0.00 -1.57 -0.25 0.00 -0.26 0.00 0.00 58.87 56.79 2dic n SER 65 Cb 0.00 2.16 -0.14 0.00 -0.26 0.00 0.00 64.21 65.96 2dic n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dic s SER 67 N -0.96 3.73 -0.05 0.00 0.01 -1.21 -2.71 113.70 112.52 2dic s SER 67 Ca 0.07 -0.32 -0.02 0.00 1.31 0.00 0.00 55.95 56.98 2dic s SER 67 Cb -0.08 -0.98 0.03 0.00 0.21 0.00 0.00 66.02 65.20 2dic s SER 67 CO 0.01 0.28 0.08 0.00 0.41 0.00 0.00 173.24 174.02 2dic s ALA 68 N -0.35 0.15 0.02 1.44 0.00 -1.26 -0.67 121.76 121.10 2dic s ALA 68 Ca 0.03 0.26 0.07 0.00 0.00 0.00 0.00 51.96 52.32 2dic s ALA 68 Cb -0.12 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 2dic s ALA 68 CO 0.02 -0.50 -0.20 -1.83 0.00 0.00 0.00 175.76 173.26 2dic s GLU 69 N 2.18 2.09 0.04 0.00 -1.05 -0.93 -3.32 118.70 117.71 2dic s GLU 69 Ca 0.04 -0.96 -0.03 0.00 -0.15 0.00 0.00 54.97 53.87 2dic s GLU 69 Cb -0.12 -2.17 -0.02 0.00 -0.44 0.00 0.00 34.13 31.39 2dic s GLU 69 CO -0.04 0.55 0.04 1.52 0.95 0.00 0.00 175.26 178.29 2dic s TYR 70 N -0.85 0.29 -0.25 4.83 1.13 -0.08 -0.44 117.35 121.98 2dic s TYR 70 Ca 0.13 -0.66 -0.02 0.00 -1.41 0.00 0.00 57.07 55.12 2dic s TYR 70 Cb -0.10 -0.21 0.12 0.00 -1.10 0.00 0.00 41.96 40.66 2dic s TYR 70 CO 0.04 -0.34 0.27 0.42 -2.51 0.00 0.00 175.55 173.42 2dic s ILE 71 N -2.78 -0.38 1.08 -3.49 1.01 -1.06 -2.01 121.20 113.57 2dic s ILE 71 Ca -0.04 -0.31 -0.15 0.00 0.00 0.00 0.00 60.65 60.16 2dic s ILE 71 Cb -0.00 -0.85 0.23 0.00 0.01 0.00 0.00 42.46 41.85 2dic s ILE 71 CO -0.06 -0.34 1.10 -2.16 0.00 0.00 0.00 174.94 173.48 2dic s PRO 72 N 2.36 -0.27 0.00 2.79 0.04 -1.26 -1.75 135.00 136.91 2dic s PRO 72 Ca 0.09 0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.41 2dic s PRO 72 Cb -0.15 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.71 2dic s PRO 72 CO -0.23 -3.15 0.00 1.19 0.04 0.00 0.00 177.00 174.85 2dic n PHE 73 N -4.43 0.00 -3.87 0.56 3.01 -1.26 -1.47 117.46 110.00 2dic n PHE 73 Ca 0.08 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.42 2dic n PHE 73 Cb 0.58 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 -1.04 -0.17 0.44 4.37 0.00 -1.26 -4.82 121.76 119.28 2dic s ALA 74 Ca 0.00 0.04 -0.24 0.00 0.00 0.00 0.00 51.96 51.77 2dic s ALA 74 Cb 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 23.12 22.99 2dic s ALA 74 CO 0.00 -0.08 1.17 -1.25 0.00 0.00 0.00 175.76 175.60 2dic s PRO 75 N -0.42 3.86 0.00 0.00 0.04 -1.26 -4.80 135.00 132.42 2dic s PRO 75 Ca -0.05 1.81 0.00 0.00 0.04 0.00 0.00 61.00 62.81 2dic s PRO 75 Cb -0.03 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 32.00 2dic s PRO 75 CO 0.00 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 176.97 2dic n GLY 76 N 0.52 -1.08 3.62 0.56 0.00 -0.36 -4.93 105.19 103.51 2dic n GLY 76 Ca 0.06 -1.43 -0.40 0.00 0.00 0.00 0.00 46.02 44.25 2dic n GLY 76 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dic s ASP 77 N -2.94 6.51 0.25 1.61 1.01 -1.26 -1.37 116.67 120.48 2dic s ASP 77 Ca 0.00 0.57 0.08 0.00 0.71 0.00 0.00 52.55 53.91 2dic s ASP 77 Cb 0.00 -2.31 -0.04 0.00 1.01 0.00 0.00 42.92 41.58 2dic s ASP 77 CO 0.00 -0.37 0.08 -0.31 0.21 0.00 0.00 175.17 174.78 2dic s TYR 78 N 2.46 2.89 -0.19 4.23 1.51 -1.15 -4.66 117.35 122.43 2dic s TYR 78 Ca 0.24 -0.16 -0.00 0.00 -1.01 0.00 0.00 57.07 56.13 2dic s TYR 78 Cb -0.15 -1.30 0.05 0.00 -0.11 0.00 0.00 41.96 40.44 2dic s TYR 78 CO 0.09 0.57 -0.04 -0.51 -1.11 0.00 0.00 175.55 174.55 2dic s ASP 79 N -3.64 3.18 -0.64 2.29 1.01 -0.58 -2.19 116.67 116.10 2dic s ASP 79 Ca 0.32 -0.86 -0.28 0.00 0.71 0.00 0.00 52.55 52.44 2dic s ASP 79 Cb -0.07 -0.95 0.03 0.00 1.01 0.00 0.00 42.92 42.93 2dic s ASP 79 CO 0.22 -0.22 1.24 -0.69 0.21 0.00 0.00 175.17 175.93 2dic s VAL 80 N 1.59 3.89 -0.45 -1.27 1.01 -1.12 -2.28 120.40 121.78 2dic s VAL 80 Ca -0.02 0.71 -0.24 0.00 0.00 0.00 0.00 61.98 62.43 2dic s VAL 80 Cb -0.17 -4.77 0.02 0.00 0.00 0.00 0.00 36.38 31.46 2dic s VAL 80 CO -0.07 -1.52 0.82 0.20 0.00 0.00 0.00 175.10 174.53 2dic s ASN 81 N 3.38 6.44 -0.14 3.32 0.01 0.72 -2.44 114.94 126.24 2dic s ASN 81 Ca 0.41 -0.02 0.01 0.00 -0.71 0.00 0.00 52.86 52.55 2dic s ASN 81 Cb -0.08 -2.40 -0.00 0.00 0.41 0.00 0.00 41.25 39.18 2dic s ASN 81 CO 0.22 -0.93 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.07 2dic s ILE 82 N 3.38 2.51 0.00 0.60 1.01 -1.26 -0.46 121.20 126.98 2dic s ILE 82 Ca 0.32 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 60.14 2dic s ILE 82 Cb -0.12 -2.03 -0.00 0.00 0.01 0.00 0.00 42.46 40.32 2dic s ILE 82 CO 0.23 0.53 -0.03 0.42 0.00 0.00 0.00 174.94 176.09 2dic s THR 83 N 0.67 0.20 -0.39 2.92 -4.23 -0.97 -2.60 115.64 111.25 2dic s THR 83 Ca -0.09 -0.20 -0.07 0.00 -1.18 0.00 0.00 61.69 60.15 2dic s THR 83 Cb -0.16 -0.19 0.07 0.00 1.34 0.00 0.00 72.50 73.56 2dic s THR 83 CO 0.02 -0.00 0.19 -0.47 -0.54 0.00 0.00 174.62 173.82 2dic s TYR 84 N -0.21 3.34 0.00 3.99 5.04 -0.12 -0.56 117.35 128.83 2dic s TYR 84 Ca -0.01 -1.63 0.00 0.00 -2.44 0.00 0.00 57.07 52.99 2dic s TYR 84 Cb -0.02 -2.74 0.00 0.00 0.35 0.00 0.00 41.96 39.55 2dic s TYR 84 CO -0.00 -0.82 0.00 0.41 -1.34 0.00 0.00 175.55 173.79 2dic n GLY 85 N 4.83 2.02 0.62 8.97 0.00 0.71 -3.04 105.19 119.30 2dic n GLY 85 Ca -0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 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 0.87 3.15 -0.02 0.00 -1.26 -4.78 105.19 103.15 2dic n GLY 86 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 0.89 -0.12 4.61 0.00 -1.17 -5.15 121.76 120.83 2dic s ALA 87 Ca 0.00 -1.32 -0.13 0.00 0.00 0.00 0.00 51.96 50.52 2dic s ALA 87 Cb 0.01 0.18 -0.05 0.00 0.00 0.00 0.00 23.12 23.25 2dic s ALA 87 CO -0.00 -0.25 0.31 -1.01 0.00 0.00 0.00 175.76 174.80 2dic s HIS 88 N -3.63 3.55 0.52 0.00 0.09 -1.26 -0.95 115.29 113.60 2dic s HIS 88 Ca 0.11 0.69 -0.19 0.00 -0.00 0.00 0.00 55.06 55.67 2dic s HIS 88 Cb 0.05 -2.28 -0.07 0.00 -0.00 0.00 0.00 32.58 30.28 2dic s HIS 88 CO -0.06 0.40 1.05 0.96 -0.00 0.00 0.00 174.74 177.09 2dic s ILE 89 N -0.10 3.78 -0.91 0.60 -4.36 -1.07 -4.84 121.20 114.31 2dic s ILE 89 Ca 0.18 1.03 -0.24 0.00 -0.26 0.00 0.00 60.65 61.36 2dic s ILE 89 Cb -0.14 -3.43 -0.05 0.00 1.25 0.00 0.00 42.46 40.09 2dic s ILE 89 CO 0.06 -0.32 1.95 -2.16 0.24 0.00 0.00 174.94 174.71 2dic s PRO 90 N -3.48 2.55 0.00 0.37 0.04 -1.25 -2.70 135.00 130.54 2dic s PRO 90 Ca 0.66 -0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.39 2dic s PRO 90 Cb -0.16 -5.07 0.00 0.00 0.04 0.00 0.00 34.50 29.31 2dic s PRO 90 CO 0.25 -3.40 0.00 0.41 0.04 0.00 0.00 177.00 174.30 2dic n GLY 91 N 6.82 0.19 3.85 0.56 0.00 -1.26 -4.97 105.19 110.38 2dic n GLY 91 Ca 0.40 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.15 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 5.85 0.52 1.61 0.15 -1.10 -3.74 113.70 116.99 2dic s SER 92 Ca 0.00 0.03 -0.20 0.00 0.70 0.00 0.00 55.95 56.48 2dic s SER 92 Cb 0.00 -1.64 -0.06 0.00 -1.71 0.00 0.00 66.02 62.60 2dic s SER 92 CO 0.00 0.10 1.14 -2.16 1.20 0.00 0.00 173.24 173.52 2dic s PRO 93 N -2.90 3.46 -0.51 5.44 0.04 -1.26 -4.89 135.00 134.37 2dic s PRO 93 Ca 0.32 1.66 -0.15 0.00 0.04 0.00 0.00 61.00 62.86 2dic s PRO 93 Cb -0.11 -2.11 0.11 0.00 0.04 0.00 0.00 34.50 32.43 2dic s PRO 93 CO 0.25 -0.77 0.45 -0.06 0.04 0.00 0.00 177.00 176.91 2dic s PHE 94 N -1.71 3.26 0.16 0.56 0.40 -1.02 -4.78 117.98 114.84 2dic s PHE 94 Ca 0.70 -1.24 -0.31 0.00 -0.60 0.00 0.00 56.93 55.48 2dic s PHE 94 Cb -0.25 -3.58 -0.10 0.00 0.51 0.00 0.00 43.02 39.60 2dic s PHE 94 CO 0.29 -0.95 1.64 0.50 0.70 0.00 0.00 175.22 177.40 2dic s ARG 95 N 1.59 4.18 -0.05 0.44 3.00 -1.26 -2.79 118.95 124.06 2dic s ARG 95 Ca 0.03 2.44 -0.01 0.00 -1.00 0.00 0.00 55.73 57.19 2dic s ARG 95 Cb -0.28 -3.25 0.03 0.00 0.00 0.00 0.00 34.95 31.45 2dic s ARG 95 CO 0.04 -0.68 0.02 0.08 0.00 0.00 0.00 175.30 174.75 2dic s VAL 96 N 1.54 0.20 -0.40 7.11 1.01 -0.93 -4.90 120.40 124.03 2dic s VAL 96 Ca 0.73 0.19 -0.28 0.00 0.00 0.00 0.00 61.98 62.62 2dic s VAL 96 Cb -0.45 -0.36 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 2dic s VAL 96 CO 0.32 0.21 1.73 -2.16 0.00 0.00 0.00 175.10 175.20 2dic s PRO 97 N 1.77 3.25 -0.62 2.72 0.04 -1.26 -2.93 135.00 137.98 2dic s PRO 97 Ca 0.01 1.17 -0.20 0.00 0.04 0.00 0.00 61.00 62.02 2dic s PRO 97 Cb -0.13 -4.20 0.10 0.00 0.04 0.00 0.00 34.50 30.31 2dic s PRO 97 CO -0.04 -1.96 0.78 0.08 0.04 0.00 0.00 177.00 175.90 2dic s VAL 98 N 6.99 4.70 0.48 -0.36 1.01 -0.47 -3.20 120.40 129.55 2dic s VAL 98 Ca 0.73 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 2dic s VAL 98 Cb -0.19 -4.55 -0.01 0.00 0.00 0.00 0.00 36.38 31.63 2dic s VAL 98 CO 0.31 -1.22 0.75 -0.54 0.00 0.00 0.00 175.10 174.40 2dic s LYS 99 N 3.01 3.22 -0.19 2.72 1.02 -1.18 -1.22 119.74 127.11 2dic s LYS 99 Ca 0.14 -0.13 -0.06 0.00 0.02 0.00 0.00 55.97 55.94 2dic s LYS 99 Cb -0.22 -2.44 -0.03 0.00 -0.52 0.00 0.00 37.83 34.62 2dic s LYS 99 CO 0.07 -0.32 0.04 0.16 -0.92 0.00 0.00 175.35 174.38 2dic s ASP 100 N -4.19 5.28 0.15 2.83 1.47 -1.26 -0.49 116.67 120.47 2dic s ASP 100 Ca 0.48 -0.05 -0.29 0.00 1.18 0.00 0.00 52.55 53.88 2dic s ASP 100 Cb -0.10 -1.90 -0.03 0.00 -0.34 0.00 0.00 42.92 40.55 2dic s ASP 100 CO 0.42 0.12 1.56 0.58 0.68 0.00 0.00 175.17 178.52 2dic h VAL 101 N 5.11 0.04 -4.72 2.11 2.07 -1.98 -3.45 116.25 115.44 2dic h VAL 101 Ca -0.36 0.00 -0.37 0.00 0.82 0.00 0.00 66.70 66.80 2dic h VAL 101 Cb 1.18 0.04 -0.13 0.00 -1.52 0.00 0.00 31.29 30.85 2dic h VAL 101 CO 0.65 0.00 -0.52 0.68 0.02 0.00 0.00 177.57 178.41 2dic s VAL 102 N -5.72 0.00 -0.15 2.57 -7.23 -1.26 -5.17 120.40 103.43 2dic s VAL 102 Ca -0.14 -1.97 -0.20 0.00 -1.81 0.00 0.00 61.98 57.86 2dic s VAL 102 Cb 0.11 -2.50 0.05 0.00 0.56 0.00 0.00 36.38 34.60 2dic s VAL 102 CO 0.64 0.00 0.53 1.51 -0.31 0.00 0.00 175.10 177.47 2dic s ASP 103 N -3.28 -0.52 0.43 4.85 -4.77 -1.26 -5.16 116.67 106.96 2dic s ASP 103 Ca 0.39 0.89 -0.24 0.00 -3.30 0.00 0.00 52.55 50.29 2dic s ASP 103 Cb 0.04 0.90 -0.08 0.00 -1.09 0.00 0.00 42.92 42.69 2dic s ASP 103 CO 0.21 -0.29 1.18 -2.16 0.70 0.00 0.00 175.17 174.81 2dic s PRO 104 N -0.17 3.90 0.00 2.11 0.04 -1.26 -5.28 135.00 134.34 2dic s PRO 104 Ca -0.04 1.83 0.00 0.00 0.04 0.00 0.00 61.00 62.83 2dic s PRO 104 Cb -0.03 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.96 2dic s PRO 104 CO 0.03 -0.45 0.04 -1.13 0.04 0.00 0.00 177.00 175.53