#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 6.83 0.04 1.61 0.15 -1.26 -5.08 113.70 115.99 2dic s SER 2 Ca 0.00 0.99 0.02 0.00 0.70 0.00 0.00 55.95 57.66 2dic s SER 2 Cb 0.00 -2.30 -0.02 0.00 -1.71 0.00 0.00 66.02 61.99 2dic s SER 2 CO 0.00 0.16 -0.08 -0.55 1.20 0.00 0.00 173.24 173.97 2dic s SER 3 N -0.28 0.89 -0.28 5.45 0.15 -1.26 -4.93 113.70 113.43 2dic s SER 3 Ca 0.27 -0.48 -0.01 0.00 0.70 0.00 0.00 55.95 56.43 2dic s SER 3 Cb -0.17 0.01 -0.01 0.00 -1.71 0.00 0.00 66.02 64.14 2dic s SER 3 CO 0.14 -0.15 0.25 0.61 1.20 0.00 0.00 173.24 175.29 2dic n GLY 4 N 1.71 -0.18 3.73 9.45 0.00 -1.26 -4.98 105.19 113.65 2dic n GLY 4 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.70 6.97 0.38 1.61 0.15 -1.26 -4.97 113.70 113.88 2dic s SER 5 Ca 0.07 2.26 -0.28 0.00 0.70 0.00 0.00 55.95 58.71 2dic s SER 5 Cb -0.01 -2.60 -0.10 0.00 -1.71 0.00 0.00 66.02 61.60 2dic s SER 5 CO 0.23 -0.50 1.44 -0.44 1.20 0.00 0.00 173.24 175.17 2dic s SER 6 N 0.59 6.33 0.00 5.45 0.01 -1.26 -4.77 113.70 120.05 2dic s SER 6 Ca 0.58 2.96 0.00 0.00 1.31 0.00 0.00 55.95 60.80 2dic s SER 6 Cb -0.34 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.23 2dic s SER 6 CO 0.34 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.73 2dic n GLY 7 N 0.54 -1.50 3.33 3.44 0.00 -1.26 -4.82 105.19 104.91 2dic n GLY 7 Ca 0.02 -1.46 -0.45 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.48 3.03 1.17 -0.02 0.00 -1.26 -5.05 107.32 102.71 2dic s GLY 8 Ca 0.00 -3.66 -0.15 0.00 0.00 0.00 0.00 44.72 40.90 2dic s GLY 8 CO 0.00 1.30 1.04 0.00 0.00 0.00 0.00 173.10 175.44 2dic s GLN 10 N -4.84 1.43 0.00 0.00 -0.21 0.40 -4.91 119.66 111.53 2dic s GLN 10 Ca 0.68 -2.00 0.15 0.00 0.02 0.00 0.00 55.36 54.20 2dic s GLN 10 Cb -0.19 -2.75 0.74 0.00 1.00 0.00 0.00 33.01 31.81 2dic s GLN 10 CO 0.60 -1.07 1.41 -0.35 -2.12 0.00 0.00 175.29 173.77 2dic n PRO 11 N 3.78 0.19 0.01 2.91 -0.04 -1.26 -2.40 135.00 138.21 2dic n PRO 11 Ca 0.05 0.15 -0.08 0.00 -0.04 0.00 0.00 63.50 63.58 2dic n PRO 11 Cb 0.37 -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 1.03 -0.04 0.00 0.00 175.50 176.49 2dic h SER 12 N 0.00 0.02 0.24 3.54 0.87 -1.91 -3.29 113.55 113.02 2dic h SER 12 Ca 0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2dic h SER 12 Cb 0.15 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2dic h SER 12 CO 0.00 1.03 0.00 0.54 -0.53 0.00 0.00 176.83 177.87 2dic n ARG 13 N -3.18 0.06 -2.79 2.24 5.12 -1.01 -4.71 116.66 112.40 2dic n ARG 13 Ca -0.11 0.28 -0.36 0.00 -1.93 0.00 0.00 57.85 55.73 2dic n ARG 13 Cb 1.01 -1.50 -0.07 0.00 -1.16 0.00 0.00 32.46 30.75 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 -2.79 4.25 -0.02 1.55 1.01 -1.24 -4.74 120.40 118.43 2dic s VAL 14 Ca 0.06 1.75 0.01 0.00 0.00 0.00 0.00 61.98 63.80 2dic s VAL 14 Cb 0.06 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.53 2dic s VAL 14 CO 0.15 0.05 -0.01 -1.10 0.00 0.00 0.00 175.10 174.19 2dic s GLN 15 N -2.28 0.25 -0.15 2.72 -0.21 -0.84 -4.81 119.66 114.34 2dic s GLN 15 Ca 0.52 0.01 0.01 0.00 0.02 0.00 0.00 55.36 55.92 2dic s GLN 15 Cb -0.17 -0.35 0.02 0.00 1.00 0.00 0.00 33.01 33.51 2dic s GLN 15 CO 0.22 -0.05 -0.18 0.00 -2.12 0.00 0.00 175.29 173.15 2dic s ALA 16 N 0.55 2.11 -0.01 6.09 0.00 -1.26 -0.53 121.76 128.71 2dic s ALA 16 Ca -0.05 -1.05 -0.09 0.00 0.00 0.00 0.00 51.96 50.77 2dic s ALA 16 Cb -0.08 -1.06 0.01 0.00 0.00 0.00 0.00 23.12 21.99 2dic s ALA 16 CO -0.01 -0.24 0.18 1.14 0.00 0.00 0.00 175.76 176.83 2dic s GLN 17 N 1.18 0.47 0.00 0.00 -2.07 -0.65 -5.00 119.66 113.60 2dic s GLN 17 Ca 0.01 -0.24 0.00 0.00 -1.82 0.00 0.00 55.36 53.30 2dic s GLN 17 Cb -0.14 0.20 0.00 0.00 -1.09 0.00 0.00 33.01 31.98 2dic s GLN 17 CO -0.08 -0.11 0.00 0.41 -1.32 0.00 0.00 175.29 174.19 2dic n GLY 18 N 1.69 0.54 0.17 2.60 0.00 -1.26 0.09 105.19 109.02 2dic n GLY 18 Ca -0.21 -1.84 -0.13 0.00 0.00 0.00 0.00 46.02 43.85 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 5.90 0.52 0.00 1.61 0.13 -1.85 -2.08 132.00 136.23 2dic h PRO 19 Ca 0.00 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 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 0.85 0.15 0.41 -0.23 0.00 0.00 178.00 179.18 2dic n GLY 20 N 0.17 -0.55 0.02 1.56 0.00 -0.10 -0.17 105.19 106.13 2dic n GLY 20 Ca -0.05 0.08 0.01 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.77 0.00 -0.04 0.99 4.77 -1.13 -4.80 117.00 115.03 2dic n LEU 21 Ca -0.01 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.94 2dic n LEU 21 Cb 0.16 0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 2dic n LEU 21 CO 0.04 0.11 -0.22 1.17 -1.33 0.00 0.00 177.39 177.15 2dic n LYS 22 N -2.08 0.25 -4.21 3.23 4.81 0.25 -4.60 118.16 115.80 2dic n LYS 22 Ca -0.08 0.33 -0.16 0.00 -0.87 0.00 0.00 58.31 57.52 2dic n LYS 22 Cb 0.52 -1.18 -0.14 0.00 0.02 0.00 0.00 35.03 34.24 2dic n LYS 22 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2dic s GLU 23 N -1.74 0.52 0.25 1.64 2.56 0.76 -4.34 118.70 118.35 2dic s GLU 23 Ca -0.10 -0.27 0.01 0.00 0.00 0.00 0.00 54.97 54.61 2dic s GLU 23 Cb 0.01 -0.49 -0.05 0.00 2.00 0.00 0.00 34.13 35.61 2dic s GLU 23 CO 0.14 0.13 0.11 0.00 -0.56 0.00 0.00 175.26 175.08 2dic s ALA 24 N -0.25 1.64 0.16 6.30 0.00 -1.14 -4.04 121.76 124.42 2dic s ALA 24 Ca 0.02 -1.83 -0.01 0.00 0.00 0.00 0.00 51.96 50.14 2dic s ALA 24 Cb -0.03 1.13 -0.04 0.00 0.00 0.00 0.00 23.12 24.17 2dic s ALA 24 CO -0.00 -0.49 0.08 -0.06 0.00 0.00 0.00 175.76 175.29 2dic s PHE 25 N -3.82 0.98 0.07 0.00 0.40 -1.26 -2.65 117.98 111.69 2dic s PHE 25 Ca 0.38 -1.27 -0.30 0.00 -0.60 0.00 0.00 56.93 55.14 2dic s PHE 25 Cb 0.07 -0.52 -0.05 0.00 0.51 0.00 0.00 43.02 43.03 2dic s PHE 25 CO 0.14 -0.54 1.01 0.95 0.70 0.00 0.00 175.22 177.48 2dic s THR 26 N -4.06 4.52 -1.49 0.64 -4.23 0.26 -3.44 115.64 107.85 2dic s THR 26 Ca 0.29 1.94 -0.05 0.00 -1.18 0.00 0.00 61.69 62.69 2dic s THR 26 Cb 0.07 -4.24 0.02 0.00 1.34 0.00 0.00 72.50 69.69 2dic s THR 26 CO 0.05 0.22 0.46 0.59 -0.54 0.00 0.00 174.62 175.41 2dic n ASN 27 N 3.34 -5.40 -4.27 3.99 5.03 -0.01 -4.60 115.26 113.34 2dic n ASN 27 Ca 0.05 -0.24 -0.27 0.00 0.87 0.00 0.00 54.58 54.99 2dic n ASN 27 Cb 0.49 -4.41 -0.14 0.00 -1.02 0.00 0.00 39.78 34.70 2dic n ASN 27 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2dic s LYS 28 N -5.64 1.51 -0.41 3.52 1.02 -1.22 -5.00 119.74 113.52 2dic s LYS 28 Ca 0.26 -0.95 -0.28 0.00 0.02 0.00 0.00 55.97 55.02 2dic s LYS 28 Cb -0.12 -1.62 -0.01 0.00 -0.52 0.00 0.00 37.83 35.55 2dic s LYS 28 CO 0.33 0.42 1.74 -1.25 -0.92 0.00 0.00 175.35 175.66 2dic s PRO 29 N -1.10 3.22 -0.22 -1.68 0.04 -1.26 -4.40 135.00 129.60 2dic s PRO 29 Ca 0.08 1.14 -0.02 0.00 0.04 0.00 0.00 61.00 62.25 2dic s PRO 29 Cb -0.09 -4.21 0.01 0.00 0.04 0.00 0.00 34.50 30.25 2dic s PRO 29 CO 0.01 -2.00 -0.10 -0.80 0.04 0.00 0.00 177.00 174.15 2dic s ASN 30 N 6.13 3.93 0.40 6.66 0.01 -0.75 -4.99 114.94 126.34 2dic s ASN 30 Ca 0.73 -0.62 0.04 0.00 -0.71 0.00 0.00 52.86 52.30 2dic s ASN 30 Cb -0.18 -1.63 -0.05 0.00 0.41 0.00 0.00 41.25 39.79 2dic s ASN 30 CO 0.30 -0.05 0.05 0.68 -1.51 0.00 0.00 177.10 176.57 2dic s VAL 31 N 1.37 1.32 -0.06 1.60 -7.23 -1.26 -1.07 120.40 115.07 2dic s VAL 31 Ca 0.04 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.90 2dic s VAL 31 Cb -0.15 -2.65 0.07 0.00 0.56 0.00 0.00 36.38 34.21 2dic s VAL 31 CO -0.07 0.00 0.69 0.72 -0.31 0.00 0.00 175.10 176.14 2dic s PHE 32 N -3.03 -0.65 -0.10 2.82 -0.12 -1.22 -0.92 117.98 114.76 2dic s PHE 32 Ca 0.28 1.13 -0.23 0.00 -0.05 0.00 0.00 56.93 58.06 2dic s PHE 32 Cb 0.07 0.41 -0.03 0.00 -0.63 0.00 0.00 43.02 42.83 2dic s PHE 32 CO 0.14 -0.59 0.68 0.99 -0.05 0.00 0.00 175.22 176.38 2dic s THR 33 N -1.15 5.05 -0.31 -4.49 2.01 0.11 -4.01 115.64 112.86 2dic s THR 33 Ca -0.10 1.37 0.02 0.00 0.31 0.00 0.00 61.69 63.28 2dic s THR 33 Cb -0.00 -4.01 0.08 0.00 0.01 0.00 0.00 72.50 68.57 2dic s THR 33 CO 0.09 0.23 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.56 2dic s VAL 34 N 1.01 2.50 -0.66 3.82 1.01 -0.90 -1.64 120.40 125.54 2dic s VAL 34 Ca 0.35 -1.85 -0.25 0.00 0.00 0.00 0.00 61.98 60.23 2dic s VAL 34 Cb -0.17 -2.61 0.04 0.00 0.00 0.00 0.00 36.38 33.65 2dic s VAL 34 CO 0.16 -0.29 1.12 -0.69 0.00 0.00 0.00 175.10 175.39 2dic s VAL 35 N 1.08 4.05 -0.34 2.92 1.01 0.31 -1.33 120.40 128.09 2dic s VAL 35 Ca -0.00 0.24 0.06 0.00 0.00 0.00 0.00 61.98 62.28 2dic s VAL 35 Cb -0.20 -4.76 0.45 0.00 0.00 0.00 0.00 36.38 31.87 2dic s VAL 35 CO -0.05 -1.54 1.17 0.35 0.00 0.00 0.00 175.10 175.03 2dic n THR 36 N 6.26 2.48 0.00 3.92 -2.24 -1.26 -1.99 114.28 121.45 2dic n THR 36 Ca 0.02 -4.46 0.00 0.00 -2.27 0.00 0.00 64.05 57.34 2dic n THR 36 Cb 0.48 -1.18 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 2dic n THR 36 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2dic n ARG 37 N -0.63 0.00 -1.87 -0.78 5.12 -1.26 -3.78 116.66 113.46 2dic n ARG 37 Ca 0.42 0.30 -0.39 0.00 -1.93 0.00 0.00 57.85 56.26 2dic n ARG 37 Cb 0.86 -1.29 0.04 0.00 -1.16 0.00 0.00 32.46 30.91 2dic n ARG 37 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dic n GLY 38 N -0.79 5.59 0.46 -0.13 0.00 -1.26 -4.55 105.19 104.51 2dic n GLY 38 Ca 0.00 -2.47 0.13 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.59 2.56 0.00 4.61 0.00 -1.25 -4.64 120.51 121.21 2dic n ALA 39 Ca 0.54 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2dic n ALA 39 Cb 0.31 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 1.14 0.26 3.55 0.00 0.00 -1.26 -0.45 105.19 108.43 2dic n GLY 40 Ca 0.18 -1.53 -0.34 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.42 3.38 0.00 -0.61 -1.09 -1.26 -4.81 121.20 114.39 2dic s ILE 41 Ca 0.00 0.01 0.00 0.00 -2.23 0.00 0.00 60.65 58.43 2dic s ILE 41 Cb 0.00 -3.96 0.00 0.00 -1.58 0.00 0.00 42.46 36.92 2dic s ILE 41 CO 0.00 -0.92 0.00 0.61 -1.23 0.00 0.00 174.94 173.40 2dic n GLY 42 N 6.09 3.79 3.59 6.18 0.00 -1.26 -4.88 105.19 118.69 2dic n GLY 42 Ca 0.27 -0.67 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 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 2.28 -0.08 -0.02 0.00 -1.26 -4.91 107.32 103.33 2dic s GLY 43 Ca 0.00 -2.14 0.03 0.00 0.00 0.00 0.00 44.72 42.60 2dic s GLY 43 CO 0.00 -2.03 -0.15 -2.27 0.00 0.00 0.00 173.10 168.65 2dic s LEU 44 N -3.67 1.75 -0.44 0.66 2.96 -1.26 -0.12 118.68 118.57 2dic s LEU 44 Ca 0.34 -0.37 0.03 0.00 -0.22 0.00 0.00 54.13 53.91 2dic s LEU 44 Cb 0.04 -0.98 0.12 0.00 0.50 0.00 0.00 46.19 45.88 2dic s LEU 44 CO 0.18 0.06 0.20 -0.83 -1.32 0.00 0.00 176.35 174.64 2dic s GLY 45 N 0.61 2.02 -0.24 7.98 0.00 0.76 -5.00 107.32 113.45 2dic s GLY 45 Ca -0.15 -2.80 -0.12 0.00 0.00 0.00 0.00 44.72 41.65 2dic s GLY 45 CO 0.05 1.19 0.21 -0.42 0.00 0.00 0.00 173.10 174.13 2dic s ILE 46 N 0.29 5.32 0.06 0.90 1.01 -1.26 -2.30 121.20 125.22 2dic s ILE 46 Ca 0.15 0.27 0.00 0.00 0.00 0.00 0.00 60.65 61.08 2dic s ILE 46 Cb -0.23 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 2dic s ILE 46 CO -0.04 0.31 -0.05 0.42 0.00 0.00 0.00 174.94 175.58 2dic s THR 47 N 1.26 0.38 -0.06 2.92 -4.23 0.62 -4.99 115.64 111.53 2dic s THR 47 Ca 0.09 -1.56 0.06 0.00 -1.18 0.00 0.00 61.69 59.10 2dic s THR 47 Cb -0.14 -1.19 -0.01 0.00 1.34 0.00 0.00 72.50 72.50 2dic s THR 47 CO 0.06 -0.78 -0.24 -0.69 -0.54 0.00 0.00 174.62 172.43 2dic s VAL 48 N -2.99 2.14 -0.00 2.29 1.01 -1.26 0.49 120.40 122.07 2dic s VAL 48 Ca 0.01 -1.04 0.08 0.00 0.00 0.00 0.00 61.98 61.03 2dic s VAL 48 Cb 0.01 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 2dic s VAL 48 CO -0.05 0.57 -0.24 -1.61 0.00 0.00 0.00 175.10 173.77 2dic s GLU 49 N -0.17 1.84 -0.00 2.72 0.41 -1.13 -4.73 118.70 117.63 2dic s GLU 49 Ca -0.03 -0.90 -0.00 0.00 -0.41 0.00 0.00 54.97 53.62 2dic s GLU 49 Cb -0.14 -1.83 0.00 0.00 -1.78 0.00 0.00 34.13 30.38 2dic s GLU 49 CO 0.04 0.49 0.01 0.41 -0.49 0.00 0.00 175.26 175.72 2dic n GLY 50 N 2.30 0.45 0.00 -1.39 0.00 -1.26 -1.81 105.19 103.48 2dic n GLY 50 Ca -0.16 -0.81 0.08 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.01 0.49 -3.57 1.61 -0.04 -1.26 -4.72 135.00 127.49 2dic n PRO 51 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 2dic n PRO 51 Cb 0.01 -1.50 -0.06 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 -2.00 -0.50 -0.14 3.54 1.04 -1.26 -4.96 113.70 109.42 2dic s SER 52 Ca 0.23 0.37 -0.29 0.00 0.48 0.00 0.00 55.95 56.73 2dic s SER 52 Cb 0.11 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 66.70 2dic s SER 52 CO 0.18 -0.66 1.24 -1.61 0.98 0.00 0.00 173.24 173.37 2dic s GLU 53 N -1.89 4.27 -0.06 4.02 2.02 -1.26 -4.79 118.70 121.01 2dic s GLU 53 Ca -0.08 1.66 -0.09 0.00 0.02 0.00 0.00 54.97 56.47 2dic s GLU 53 Cb -0.01 -3.70 -0.05 0.00 0.10 0.00 0.00 34.13 30.47 2dic s GLU 53 CO 0.03 -0.63 0.24 -1.12 0.02 0.00 0.00 175.26 173.81 2dic s SER 54 N 1.81 6.54 -0.74 -0.19 0.01 -1.26 -4.45 113.70 115.41 2dic s SER 54 Ca 0.55 0.63 -0.27 0.00 1.31 0.00 0.00 55.95 58.17 2dic s SER 54 Cb -0.22 -2.13 0.03 0.00 0.21 0.00 0.00 66.02 63.91 2dic s SER 54 CO 0.16 0.35 1.34 -0.54 0.41 0.00 0.00 173.24 174.97 2dic s LYS 55 N -1.19 3.15 0.14 12.44 1.02 -0.77 -4.78 119.74 129.76 2dic s LYS 55 Ca 0.20 -0.20 -0.12 0.00 0.02 0.00 0.00 55.97 55.87 2dic s LYS 55 Cb -0.14 -4.25 -0.07 0.00 -0.52 0.00 0.00 37.83 32.86 2dic s LYS 55 CO 0.09 -2.21 0.51 0.42 -0.92 0.00 0.00 175.35 173.24 2dic s ILE 56 N 6.04 4.94 -0.23 2.17 1.01 -1.26 -2.14 121.20 131.73 2dic s ILE 56 Ca 0.39 0.65 -0.04 0.00 0.00 0.00 0.00 60.65 61.65 2dic s ILE 56 Cb -0.08 -3.69 0.12 0.00 0.01 0.00 0.00 42.46 38.82 2dic s ILE 56 CO 0.14 0.20 0.38 0.20 0.00 0.00 0.00 174.94 175.86 2dic s ASN 57 N -1.86 0.16 0.42 3.58 0.01 0.22 -4.97 114.94 112.50 2dic s ASN 57 Ca 0.38 0.38 -0.07 0.00 -0.71 0.00 0.00 52.86 52.85 2dic s ASN 57 Cb -0.14 1.14 -0.05 0.00 0.41 0.00 0.00 41.25 42.61 2dic s ASN 57 CO 0.19 -0.28 0.73 0.00 -1.51 0.00 0.00 177.10 176.23 2dic s ARG 59 N -4.20 0.87 -0.34 0.00 3.52 0.15 -4.96 118.95 113.98 2dic s ARG 59 Ca 0.48 -1.09 -0.12 0.00 -0.13 0.00 0.00 55.73 54.87 2dic s ARG 59 Cb -0.10 -0.72 -0.00 0.00 -1.56 0.00 0.00 34.95 32.57 2dic s ARG 59 CO 0.37 0.14 0.21 -0.51 -0.81 0.00 0.00 175.30 174.70 2dic s ASP 60 N -2.17 5.83 -0.23 -2.12 1.11 -1.26 -3.66 116.67 114.17 2dic s ASP 60 Ca 0.03 -0.57 -0.09 0.00 0.18 0.00 0.00 52.55 52.10 2dic s ASP 60 Cb -0.06 -2.07 -0.04 0.00 1.07 0.00 0.00 42.92 41.81 2dic s ASP 60 CO 0.02 -0.26 0.12 0.20 1.18 0.00 0.00 175.17 176.43 2dic s ASN 61 N 1.66 5.72 -0.31 0.27 0.01 -1.26 -4.98 114.94 116.04 2dic s ASN 61 Ca 0.05 0.00 -0.01 0.00 -0.71 0.00 0.00 52.86 52.19 2dic s ASN 61 Cb -0.18 -2.02 0.18 0.00 0.41 0.00 0.00 41.25 39.64 2dic s ASN 61 CO 0.08 0.05 2.12 0.29 -1.51 0.00 0.00 177.10 178.13 2dic n LYS 62 N 4.36 1.83 0.03 -0.60 4.76 -1.26 -4.09 118.16 123.18 2dic n LYS 62 Ca -0.16 -1.56 0.00 0.00 -2.87 0.00 0.00 58.31 53.72 2dic n LYS 62 Cb 0.52 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 2dic n LYS 62 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2dic n ASP 63 N 0.49 0.47 0.00 4.39 8.00 -1.26 -5.06 116.55 123.58 2dic n ASP 63 Ca 0.31 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.88 2dic n ASP 63 Cb 0.58 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 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 3.11 0.00 3.83 0.44 0.00 -1.26 -5.18 105.19 106.13 2dic n GLY 64 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 0.01 -0.02 1.61 1.04 -1.26 -4.41 113.70 110.66 2dic s SER 65 Ca 0.00 -1.00 0.04 0.00 0.48 0.00 0.00 55.95 55.47 2dic s SER 65 Cb 0.00 0.74 -0.01 0.00 0.10 0.00 0.00 66.02 66.85 2dic s SER 65 CO 0.00 -1.47 -0.14 0.00 0.98 0.00 0.00 173.24 172.61 2dic s SER 67 N -0.16 3.69 -0.07 0.00 0.15 -1.24 -2.11 113.70 113.96 2dic s SER 67 Ca 0.02 -0.30 -0.03 0.00 0.70 0.00 0.00 55.95 56.34 2dic s SER 67 Cb -0.08 -0.72 0.04 0.00 -1.71 0.00 0.00 66.02 63.55 2dic s SER 67 CO 0.00 0.33 0.13 0.00 1.20 0.00 0.00 173.24 174.90 2dic s ALA 68 N -0.63 -0.11 -0.06 5.45 0.00 -1.26 -0.68 121.76 124.48 2dic s ALA 68 Ca 0.09 0.51 0.03 0.00 0.00 0.00 0.00 51.96 52.59 2dic s ALA 68 Cb -0.11 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 2dic s ALA 68 CO 0.00 -0.43 -0.13 -1.83 0.00 0.00 0.00 175.76 173.38 2dic s GLU 69 N 1.93 2.67 0.04 0.00 -1.05 -0.01 -3.42 118.70 118.86 2dic s GLU 69 Ca -0.00 -0.67 0.01 0.00 -0.15 0.00 0.00 54.97 54.15 2dic s GLU 69 Cb -0.12 -2.45 -0.03 0.00 -0.44 0.00 0.00 34.13 31.10 2dic s GLU 69 CO -0.05 0.57 -0.06 1.52 0.95 0.00 0.00 175.26 178.19 2dic s TYR 70 N -0.58 0.53 -0.22 4.83 -0.85 -0.23 0.70 117.35 121.52 2dic s TYR 70 Ca 0.08 -0.60 -0.05 0.00 -0.52 0.00 0.00 57.07 55.99 2dic s TYR 70 Cb -0.11 -0.33 0.08 0.00 0.38 0.00 0.00 41.96 41.97 2dic s TYR 70 CO 0.01 -0.15 0.11 0.42 -1.52 0.00 0.00 175.55 174.42 2dic s ILE 71 N -1.83 -0.09 1.01 -3.49 1.01 -0.91 -1.80 121.20 115.10 2dic s ILE 71 Ca -0.09 -0.39 -0.12 0.00 0.00 0.00 0.00 60.65 60.05 2dic s ILE 71 Cb -0.07 -0.73 0.20 0.00 0.01 0.00 0.00 42.46 41.87 2dic s ILE 71 CO -0.01 -0.45 1.09 -2.16 0.00 0.00 0.00 174.94 173.41 2dic s PRO 72 N 2.13 0.32 0.00 2.79 0.04 -1.26 -1.84 135.00 137.18 2dic s PRO 72 Ca 0.05 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.57 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 -0.20 -2.80 0.00 1.19 0.04 0.00 0.00 177.00 175.24 2dic n PHE 73 N -4.22 0.00 -3.87 0.56 3.01 -1.26 -0.83 117.46 110.85 2dic n PHE 73 Ca 0.05 0.00 -0.11 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 39.92 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 -1.50 -0.17 0.57 4.37 0.00 -1.26 -4.79 121.76 118.99 2dic s ALA 74 Ca 0.00 0.03 -0.18 0.00 0.00 0.00 0.00 51.96 51.80 2dic s ALA 74 Cb 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 23.12 23.03 2dic s ALA 74 CO 0.00 -0.09 1.12 -1.25 0.00 0.00 0.00 175.76 175.55 2dic s PRO 75 N -0.46 3.24 0.00 0.00 0.04 -1.26 -4.82 135.00 131.74 2dic s PRO 75 Ca -0.05 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.55 2dic s PRO 75 Cb -0.03 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2dic s PRO 75 CO 0.00 -0.93 0.00 0.41 0.04 0.00 0.00 177.00 176.52 2dic n GLY 76 N 0.00 -0.45 3.41 0.56 0.00 -0.10 -4.91 105.19 103.70 2dic n GLY 76 Ca 0.11 -1.41 -0.44 0.00 0.00 0.00 0.00 46.02 44.29 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 6.15 0.41 1.61 -4.77 -1.26 -0.72 116.67 114.08 2dic s ASP 77 Ca 0.00 -1.18 0.04 0.00 -3.30 0.00 0.00 52.55 48.11 2dic s ASP 77 Cb 0.00 -2.19 -0.00 0.00 -1.09 0.00 0.00 42.92 39.64 2dic s ASP 77 CO 0.00 -0.61 0.58 -0.31 0.70 0.00 0.00 175.17 175.53 2dic s TYR 78 N 1.73 3.12 -0.23 2.11 1.51 -1.13 -4.79 117.35 119.67 2dic s TYR 78 Ca 0.05 -0.02 -0.03 0.00 -1.01 0.00 0.00 57.07 56.06 2dic s TYR 78 Cb -0.22 -2.21 0.08 0.00 -0.11 0.00 0.00 41.96 39.49 2dic s TYR 78 CO 0.08 -0.25 0.07 -0.51 -1.11 0.00 0.00 175.55 173.84 2dic s ASP 79 N -4.22 3.15 -0.49 2.29 1.01 -0.75 -2.30 116.67 115.37 2dic s ASP 79 Ca 0.48 -1.03 -0.28 0.00 0.71 0.00 0.00 52.55 52.42 2dic s ASP 79 Cb -0.10 -0.54 -0.00 0.00 1.01 0.00 0.00 42.92 43.29 2dic s ASP 79 CO 0.35 -0.36 1.59 -0.69 0.21 0.00 0.00 175.17 176.26 2dic s VAL 80 N 1.90 3.66 -0.26 -1.27 1.01 -1.08 -2.86 120.40 121.51 2dic s VAL 80 Ca 0.03 0.59 -0.23 0.00 0.00 0.00 0.00 61.98 62.37 2dic s VAL 80 Cb -0.17 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 2dic s VAL 80 CO -0.17 -0.87 0.78 0.20 0.00 0.00 0.00 175.10 175.04 2dic s ASN 81 N 5.40 6.75 -0.17 3.32 0.01 0.18 -2.55 114.94 127.88 2dic s ASN 81 Ca 0.63 0.90 0.00 0.00 -0.71 0.00 0.00 52.86 53.68 2dic s ASN 81 Cb -0.14 -2.41 0.04 0.00 0.41 0.00 0.00 41.25 39.15 2dic s ASN 81 CO 0.28 -0.50 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.65 2dic s ILE 82 N 2.80 1.33 -0.05 0.60 1.01 -1.26 -0.28 121.20 125.35 2dic s ILE 82 Ca 0.33 -0.73 0.03 0.00 0.00 0.00 0.00 60.65 60.28 2dic s ILE 82 Cb -0.15 -1.44 0.00 0.00 0.01 0.00 0.00 42.46 40.89 2dic s ILE 82 CO 0.08 0.19 -0.15 0.42 0.00 0.00 0.00 174.94 175.49 2dic s THR 83 N 1.54 1.29 -0.28 2.92 -4.23 -0.97 -2.20 115.64 113.70 2dic s THR 83 Ca 0.01 -0.62 -0.01 0.00 -1.18 0.00 0.00 61.69 59.89 2dic s THR 83 Cb -0.15 -1.13 0.04 0.00 1.34 0.00 0.00 72.50 72.60 2dic s THR 83 CO -0.08 0.38 -0.02 -0.47 -0.54 0.00 0.00 174.62 173.88 2dic s TYR 84 N 0.26 3.21 -1.02 3.99 5.04 0.12 -0.17 117.35 128.78 2dic s TYR 84 Ca -0.08 -1.83 -0.01 0.00 -2.44 0.00 0.00 57.07 52.72 2dic s TYR 84 Cb -0.13 -2.08 0.00 0.00 0.35 0.00 0.00 41.96 40.10 2dic s TYR 84 CO 0.03 -0.79 0.11 0.41 -1.34 0.00 0.00 175.55 173.97 2dic n GLY 85 N 4.62 -0.11 1.79 8.97 0.00 0.84 -2.40 105.19 118.89 2dic n GLY 85 Ca -0.14 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.07 0.52 3.14 -0.02 0.00 -1.26 -4.81 105.19 101.68 2dic n GLY 86 Ca -0.12 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.00 1.88 -0.12 4.61 0.00 -1.01 -5.10 121.76 120.02 2dic s ALA 87 Ca 0.00 -0.82 -0.29 0.00 0.00 0.00 0.00 51.96 50.85 2dic s ALA 87 Cb 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 2dic s ALA 87 CO 0.00 0.13 1.41 -1.01 0.00 0.00 0.00 175.76 176.29 2dic s HIS 88 N 0.61 2.52 0.63 0.00 0.09 -1.26 0.11 115.29 117.99 2dic s HIS 88 Ca -0.14 0.70 -0.18 0.00 -0.00 0.00 0.00 55.06 55.45 2dic s HIS 88 Cb -0.17 -3.66 -0.02 0.00 -0.00 0.00 0.00 32.58 28.74 2dic s HIS 88 CO 0.04 -2.51 1.21 0.96 -0.00 0.00 0.00 174.74 174.44 2dic s ILE 89 N 3.69 2.56 -1.02 0.60 -4.36 -0.94 -4.87 121.20 116.86 2dic s ILE 89 Ca 0.62 0.33 -0.24 0.00 -0.26 0.00 0.00 60.65 61.10 2dic s ILE 89 Cb -0.26 -3.05 -0.06 0.00 1.25 0.00 0.00 42.46 40.33 2dic s ILE 89 CO 0.20 -0.10 1.94 -2.16 0.24 0.00 0.00 174.94 175.07 2dic s PRO 90 N -3.51 2.52 0.00 0.37 0.04 -1.26 -2.69 135.00 130.47 2dic s PRO 90 Ca 0.76 -0.65 0.00 0.00 0.04 0.00 0.00 61.00 61.15 2dic s PRO 90 Cb -0.30 -5.14 0.00 0.00 0.04 0.00 0.00 34.50 29.10 2dic s PRO 90 CO 0.37 -3.64 0.00 0.41 0.04 0.00 0.00 177.00 174.18 2dic n GLY 91 N 6.42 0.00 3.83 0.56 0.00 -1.26 -4.99 105.19 109.75 2dic n GLY 91 Ca 0.42 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.16 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 5.75 0.63 1.61 0.15 -1.10 -3.84 113.70 116.90 2dic s SER 92 Ca 0.00 -0.01 -0.16 0.00 0.70 0.00 0.00 55.95 56.48 2dic s SER 92 Cb 0.00 -1.58 -0.02 0.00 -1.71 0.00 0.00 66.02 62.71 2dic s SER 92 CO 0.00 0.10 1.12 -2.16 1.20 0.00 0.00 173.24 173.50 2dic s PRO 93 N -2.88 2.94 -0.47 5.44 0.04 -1.26 -4.90 135.00 133.92 2dic s PRO 93 Ca 0.31 1.45 -0.11 0.00 0.04 0.00 0.00 61.00 62.70 2dic s PRO 93 Cb -0.11 -1.96 0.11 0.00 0.04 0.00 0.00 34.50 32.57 2dic s PRO 93 CO 0.24 -1.15 0.35 -0.06 0.04 0.00 0.00 177.00 176.43 2dic s PHE 94 N -2.19 3.36 0.12 0.56 0.40 -1.06 -4.83 117.98 114.34 2dic s PHE 94 Ca 0.68 -1.59 -0.31 0.00 -0.60 0.00 0.00 56.93 55.11 2dic s PHE 94 Cb -0.21 -3.38 -0.09 0.00 0.51 0.00 0.00 43.02 39.85 2dic s PHE 94 CO 0.38 -0.94 1.62 0.50 0.70 0.00 0.00 175.22 177.48 2dic s ARG 95 N 1.45 4.20 -0.05 0.44 3.00 -1.26 -2.63 118.95 124.09 2dic s ARG 95 Ca 0.04 2.37 -0.01 0.00 -1.00 0.00 0.00 55.73 57.13 2dic s ARG 95 Cb -0.26 -3.37 0.03 0.00 0.00 0.00 0.00 34.95 31.34 2dic s ARG 95 CO 0.01 -0.68 0.01 0.08 0.00 0.00 0.00 175.30 174.73 2dic s VAL 96 N 1.90 0.21 -0.36 7.11 1.01 -0.97 -4.83 120.40 124.46 2dic s VAL 96 Ca 0.72 0.19 -0.28 0.00 0.00 0.00 0.00 61.98 62.61 2dic s VAL 96 Cb -0.42 -0.38 -0.01 0.00 0.00 0.00 0.00 36.38 35.57 2dic s VAL 96 CO 0.32 0.21 1.71 -2.16 0.00 0.00 0.00 175.10 175.18 2dic s PRO 97 N 1.77 3.36 -0.56 2.72 0.04 -1.26 -2.86 135.00 138.22 2dic s PRO 97 Ca 0.01 1.27 -0.19 0.00 0.04 0.00 0.00 61.00 62.13 2dic s PRO 97 Cb -0.13 -4.16 0.09 0.00 0.04 0.00 0.00 34.50 30.34 2dic s PRO 97 CO -0.04 -1.82 0.66 0.08 0.04 0.00 0.00 177.00 175.92 2dic s VAL 98 N 6.62 4.86 0.65 -0.36 1.01 0.10 -2.90 120.40 130.39 2dic s VAL 98 Ca 0.75 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.85 2dic s VAL 98 Cb -0.20 -4.40 0.04 0.00 0.00 0.00 0.00 36.38 31.82 2dic s VAL 98 CO 0.33 -0.98 0.95 -0.54 0.00 0.00 0.00 175.10 174.86 2dic s LYS 99 N 2.61 2.44 -0.22 2.72 1.02 -1.09 -0.92 119.74 126.31 2dic s LYS 99 Ca 0.12 -0.24 -0.07 0.00 0.02 0.00 0.00 55.97 55.80 2dic s LYS 99 Cb -0.22 -2.23 -0.03 0.00 -0.52 0.00 0.00 37.83 34.82 2dic s LYS 99 CO 0.08 -1.02 0.05 0.16 -0.92 0.00 0.00 175.35 173.70 2dic s ASP 100 N -4.45 5.22 0.19 2.83 1.47 -1.26 -0.58 116.67 120.10 2dic s ASP 100 Ca 0.58 -0.12 -0.13 0.00 1.18 0.00 0.00 52.55 54.05 2dic s ASP 100 Cb -0.11 -1.92 0.21 0.00 -0.34 0.00 0.00 42.92 40.76 2dic s ASP 100 CO 0.44 0.04 1.67 0.58 0.68 0.00 0.00 175.17 178.58 2dic h VAL 101 N 5.33 0.55 -4.03 2.11 2.07 -1.97 -3.42 116.25 116.89 2dic h VAL 101 Ca -0.37 -0.03 -0.40 0.00 0.82 0.00 0.00 66.70 66.73 2dic h VAL 101 Cb 1.18 0.46 -0.27 0.00 -1.52 0.00 0.00 31.29 31.14 2dic h VAL 101 CO 0.61 0.02 -0.78 0.68 0.02 0.00 0.00 177.57 178.12 2dic s VAL 102 N -6.18 0.82 0.12 2.57 -7.23 -1.26 -5.14 120.40 104.09 2dic s VAL 102 Ca -0.14 -0.64 -0.18 0.00 -1.81 0.00 0.00 61.98 59.21 2dic s VAL 102 Cb 0.17 -0.73 -0.07 0.00 0.56 0.00 0.00 36.38 36.31 2dic s VAL 102 CO 0.73 0.09 0.58 -1.81 -0.31 0.00 0.00 175.10 174.38 2dic s ASP 103 N -0.63 6.99 0.47 4.85 1.01 -1.26 -5.06 116.67 123.04 2dic s ASP 103 Ca 0.02 1.23 -0.23 0.00 0.71 0.00 0.00 52.55 54.28 2dic s ASP 103 Cb -0.05 -2.35 -0.07 0.00 1.01 0.00 0.00 42.92 41.46 2dic s ASP 103 CO 0.00 0.19 1.16 -2.16 0.21 0.00 0.00 175.17 174.57 2dic s PRO 104 N -1.48 3.73 0.00 8.23 0.04 -1.26 -5.25 135.00 139.01 2dic s PRO 104 Ca 0.34 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.14 2dic s PRO 104 Cb -0.18 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 31.98 2dic s PRO 104 CO 0.19 -0.57 0.26 0.43 0.04 0.00 0.00 177.00 177.35