#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yua s SER 2 N 0.00 1.27 -0.54 1.61 1.04 -1.26 -4.97 113.70 110.85 2yua s SER 2 Ca 0.00 0.56 0.01 0.00 0.48 0.00 0.00 55.95 57.00 2yua s SER 2 Cb 0.00 -0.76 0.45 0.00 0.10 0.00 0.00 66.02 65.81 2yua s SER 2 CO 0.00 -3.90 1.74 -1.54 0.98 0.00 0.00 173.24 170.51 2yua n SER 3 N -4.60 6.72 -1.69 7.02 3.41 -1.26 -5.00 113.62 118.22 2yua n SER 3 Ca 0.14 -3.78 0.00 0.00 -0.26 0.00 0.00 58.87 54.97 2yua n SER 3 Cb 0.59 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 2yua n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yua n GLY 4 N -0.83 -4.84 3.74 5.00 0.00 -1.26 -4.67 105.19 102.32 2yua n GLY 4 Ca 0.56 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 46.01 2yua n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yua s SER 5 N -0.37 4.28 -0.29 1.61 0.01 -1.26 -4.82 113.70 112.86 2yua s SER 5 Ca 0.00 -1.26 -0.16 0.00 1.31 0.00 0.00 55.95 55.84 2yua s SER 5 Cb 0.00 -0.19 0.16 0.00 0.21 0.00 0.00 66.02 66.20 2yua s SER 5 CO 0.00 -0.64 1.04 -0.55 0.41 0.00 0.00 173.24 173.50 2yua s SER 6 N -3.90 -0.43 0.85 2.44 0.15 -1.26 -5.07 113.70 106.48 2yua s SER 6 Ca 0.33 0.65 -0.01 0.00 0.70 0.00 0.00 55.95 57.62 2yua s SER 6 Cb 0.04 1.31 0.02 0.00 -1.71 0.00 0.00 66.02 65.69 2yua s SER 6 CO 0.18 -0.10 0.14 0.61 1.20 0.00 0.00 173.24 175.28 2yua n GLY 7 N 4.08 -0.68 0.08 9.45 0.00 -1.26 -5.06 105.19 111.80 2yua n GLY 7 Ca -0.15 -1.75 -0.07 0.00 0.00 0.00 0.00 46.02 44.06 2yua n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yua n SER 8 N -3.07 1.84 -3.47 1.61 3.41 -1.26 -4.93 113.62 107.75 2yua n SER 8 Ca 0.02 0.55 -0.49 0.00 -0.26 0.00 0.00 58.87 58.69 2yua n SER 8 Cb 0.07 -0.84 -0.07 0.00 -0.26 0.00 0.00 64.21 63.10 2yua n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2yua n GLN 9 N -4.57 0.00 0.00 4.33 6.02 -1.26 -4.82 117.38 117.08 2yua n GLN 9 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.88 2yua n GLN 9 Cb 0.35 -1.10 0.00 0.00 1.02 0.00 0.00 30.24 30.51 2yua n GLN 9 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2yua n GLY 10 N 2.67 3.55 2.90 1.08 0.00 -1.26 -5.09 105.19 109.04 2yua n GLY 10 Ca 0.22 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 2yua n GLY 10 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2yua s ASP 11 N 0.00 4.39 0.89 1.61 1.01 -1.26 -5.10 116.67 118.21 2yua s ASP 11 Ca 0.00 -3.31 -0.13 0.00 0.71 0.00 0.00 52.55 49.81 2yua s ASP 11 Cb 0.00 -1.56 0.13 0.00 1.01 0.00 0.00 42.92 42.50 2yua s ASP 11 CO 0.00 -0.18 1.20 0.00 0.21 0.00 0.00 175.17 176.41 2yua n SER 13 N -3.60 0.03 -4.51 0.00 2.88 -1.26 -4.99 113.62 102.17 2yua n SER 13 Ca 0.10 0.01 -0.43 0.00 -1.33 0.00 0.00 58.87 57.22 2yua n SER 13 Cb 0.60 -0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.02 2yua n SER 13 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 2yua s TYR 14 N -2.00 2.64 -0.38 0.66 1.13 -1.26 -4.96 117.35 113.19 2yua s TYR 14 Ca 0.00 -0.19 -0.35 0.00 -1.41 0.00 0.00 57.07 55.12 2yua s TYR 14 Cb 0.00 -4.28 -0.15 0.00 -1.10 0.00 0.00 41.96 36.42 2yua s TYR 14 CO 0.00 -1.61 1.22 -1.13 -2.51 0.00 0.00 175.55 171.52 2yua n SER 15 N 7.97 0.90 0.07 -0.18 3.41 -1.26 -4.77 113.62 119.75 2yua n SER 15 Ca 0.00 0.89 0.00 0.00 -0.26 0.00 0.00 58.87 59.50 2yua n SER 15 Cb 0.47 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 2yua n SER 15 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2yua n ARG 16 N 3.09 0.00 -1.31 4.33 0.63 -1.26 -4.87 116.66 117.27 2yua n ARG 16 Ca 0.24 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.88 2yua n ARG 16 Cb -0.04 -0.14 0.12 0.00 0.45 0.00 0.00 32.46 32.84 2yua n ARG 16 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2yua n THR 17 N -3.11 3.35 -0.03 5.15 -2.24 -1.26 -4.61 114.28 111.52 2yua n THR 17 Ca 0.00 -2.70 -0.01 0.00 -2.27 0.00 0.00 64.05 59.07 2yua n THR 17 Cb 0.06 -0.88 -0.00 0.00 -2.10 0.00 0.00 70.33 67.40 2yua n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2yua h ALA 18 N 1.63 0.00 -0.89 6.98 0.00 -1.96 -3.13 119.26 121.89 2yua h ALA 18 Ca 0.58 -0.16 0.33 0.00 0.00 0.00 0.00 54.91 55.66 2yua h ALA 18 Cb 1.57 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 19.36 2yua h ALA 18 CO 1.30 0.11 0.54 1.28 0.00 0.00 0.00 179.25 182.49 2yua n LEU 19 N -3.58 0.20 0.03 0.00 4.77 -1.26 0.12 117.00 117.28 2yua n LEU 19 Ca -0.02 1.09 -0.11 0.00 -0.03 0.00 0.00 56.01 56.95 2yua n LEU 19 Cb 0.06 -0.54 -0.08 0.00 -2.33 0.00 0.00 43.42 40.53 2yua n LEU 19 CO 0.02 -1.20 0.41 1.88 -1.33 0.00 0.00 177.39 177.17 2yua h TYR 20 N 0.00 -0.16 -1.00 -1.77 -1.99 -1.87 -3.26 116.97 106.92 2yua h TYR 20 Ca 0.63 -0.00 0.23 0.00 2.00 0.00 0.00 58.73 61.58 2yua h TYR 20 Cb 1.89 0.05 -0.10 0.00 2.00 0.00 0.00 36.73 40.58 2yua h TYR 20 CO -0.01 0.32 0.63 0.22 -0.00 0.00 0.00 178.16 179.32 2yua h ASP 21 N -0.84 0.58 -0.28 3.88 3.58 0.96 0.69 116.42 125.00 2yua h ASP 21 Ca -0.02 0.09 0.08 0.00 0.42 0.00 0.00 57.03 57.60 2yua h ASP 21 Cb 0.55 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.57 2yua h ASP 21 CO 0.03 0.17 0.20 -0.07 -2.88 0.00 0.00 179.24 176.69 2yua h LEU 22 N 0.54 0.00 0.00 2.28 4.07 -1.13 -3.28 115.31 117.79 2yua h LEU 22 Ca 0.57 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.53 2yua h LEU 22 Cb 1.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.94 2yua h LEU 22 CO -0.32 0.00 -0.78 0.18 -1.08 0.00 0.00 178.44 176.43 2yua n LEU 23 N -4.44 1.64 0.00 1.67 4.32 0.15 -5.00 117.00 115.34 2yua n LEU 23 Ca 0.04 0.27 0.00 0.00 -0.02 0.00 0.00 56.01 56.30 2yua n LEU 23 Cb 0.36 -0.67 0.00 0.00 -1.62 0.00 0.00 43.42 41.50 2yua n LEU 23 CO 0.35 -0.35 0.00 0.61 -1.22 0.00 0.00 177.39 176.79 2yua n GLY 24 N 1.70 1.46 3.62 -0.72 0.00 0.19 -4.96 105.19 106.48 2yua n GLY 24 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 2yua n GLY 24 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2yua s VAL 25 N -1.46 3.55 0.83 1.61 -7.23 -1.24 -5.03 120.40 111.43 2yua s VAL 25 Ca 0.00 -1.28 -0.14 0.00 -1.81 0.00 0.00 61.98 58.75 2yua s VAL 25 Cb 0.00 -2.70 0.21 0.00 0.56 0.00 0.00 36.38 34.45 2yua s VAL 25 CO 0.00 0.05 0.73 -0.81 -0.31 0.00 0.00 175.10 174.76 2yua n PRO 26 N 0.46 -2.46 0.11 4.82 -0.04 -1.26 -4.68 135.00 131.95 2yua n PRO 26 Ca -0.12 -1.17 0.13 0.00 -0.04 0.00 0.00 63.50 62.30 2yua n PRO 26 Cb 0.53 -1.10 0.38 0.00 -0.04 0.00 0.00 33.50 33.27 2yua n PRO 26 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2yua h SER 27 N -2.17 0.00 -0.01 3.54 0.87 -1.87 -3.21 113.55 110.69 2yua h SER 27 Ca -0.28 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.27 2yua h SER 27 Cb 0.84 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.80 2yua h SER 27 CO 0.18 0.00 -0.24 1.07 -0.53 0.00 0.00 176.83 177.31 2yua n THR 28 N -2.32 2.06 -0.36 2.23 5.66 -1.26 -5.06 114.28 115.22 2yua n THR 28 Ca 0.05 -2.74 -0.26 0.00 -3.05 0.00 0.00 64.05 58.05 2yua n THR 28 Cb 0.44 -0.24 0.24 0.00 -1.55 0.00 0.00 70.33 69.22 2yua n THR 28 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2yua n ALA 29 N -1.27 -3.41 -2.46 1.79 0.00 -1.22 -5.04 120.51 108.90 2yua n ALA 29 Ca 0.18 -1.55 -0.24 0.00 0.00 0.00 0.00 53.44 51.82 2yua n ALA 29 Cb 0.68 -1.37 -0.10 0.00 0.00 0.00 0.00 19.45 18.65 2yua n ALA 29 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2yua s THR 30 N -2.13 2.45 0.21 0.00 -4.23 -1.26 -4.97 115.64 105.71 2yua s THR 30 Ca 0.56 -2.37 -0.12 0.00 -1.18 0.00 0.00 61.69 58.58 2yua s THR 30 Cb -0.11 -2.27 0.21 0.00 1.34 0.00 0.00 72.50 71.66 2yua s THR 30 CO 0.50 -0.38 1.64 -0.61 -0.54 0.00 0.00 174.62 175.23 2yua h GLN 31 N 2.37 0.05 -0.74 3.99 4.15 -1.96 0.45 115.11 123.43 2yua h GLN 31 Ca -0.41 -0.00 0.20 0.00 0.77 0.00 0.00 58.65 59.21 2yua h GLN 31 Cb 1.25 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.90 2yua h GLN 31 CO 0.59 0.03 0.52 0.00 -1.93 0.00 0.00 178.83 178.04 2yua h ALA 32 N 1.59 2.55 0.00 3.38 0.00 -1.99 -0.90 119.26 123.89 2yua h ALA 32 Ca 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2yua h ALA 32 Cb 0.50 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2yua h ALA 32 CO -0.59 -0.76 -0.05 1.96 0.00 0.00 0.00 179.25 179.81 2yua h GLN 33 N 0.10 0.00 -1.02 0.00 4.20 -0.61 -2.80 115.11 114.98 2yua h GLN 33 Ca 0.36 0.00 0.30 0.00 0.06 0.00 0.00 58.65 59.36 2yua h GLN 33 Cb 1.27 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.01 2yua h GLN 33 CO -0.04 0.00 1.12 0.82 -0.67 0.00 0.00 178.83 180.07 2yua h ILE 34 N -0.28 0.06 0.00 2.54 2.04 -0.85 0.13 117.51 121.16 2yua h ILE 34 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2yua h ILE 34 Cb 0.05 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.23 2yua h ILE 34 CO 0.00 0.00 -0.10 0.50 0.00 0.00 0.00 178.15 178.55 2yua h LYS 35 N 0.00 0.00 -0.27 2.37 3.64 -1.29 -3.15 116.57 117.86 2yua h LYS 35 Ca 0.48 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.94 2yua h LYS 35 Cb 2.73 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 34.54 2yua h LYS 35 CO -0.01 0.00 0.45 0.00 -2.27 0.00 0.00 179.45 177.63 2yua h ALA 36 N -1.24 1.86 0.08 5.00 0.00 -0.74 -1.01 119.26 123.22 2yua h ALA 36 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2yua h ALA 36 Cb 0.10 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2yua h ALA 36 CO 0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 179.25 178.62 2yua h ALA 37 N 1.36 -0.11 -0.07 0.00 0.00 -0.95 -2.80 119.26 116.69 2yua h ALA 37 Ca 0.13 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.78 2yua h ALA 37 Cb 1.03 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2yua h ALA 37 CO -0.00 -0.22 0.13 -0.92 0.00 0.00 0.00 179.25 178.23 2yua h TYR 38 N -0.80 0.00 0.17 0.00 3.20 -1.15 -2.81 116.97 115.58 2yua h TYR 38 Ca -0.01 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2yua h TYR 38 Cb 0.59 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.86 2yua h TYR 38 CO 0.12 0.00 -0.08 1.88 -1.64 0.00 0.00 178.16 178.44 2yua h TYR 39 N 0.00 -0.21 -0.79 -3.82 0.05 -1.45 -3.18 116.97 107.57 2yua h TYR 39 Ca 0.03 -0.00 0.23 0.00 0.05 0.00 0.00 58.73 59.04 2yua h TYR 39 Cb 0.28 0.07 -0.03 0.00 1.01 0.00 0.00 36.73 38.06 2yua h TYR 39 CO 0.00 -0.13 1.08 0.07 -1.05 0.00 0.00 178.16 178.13 2yua h ARG 40 N -0.90 0.00 0.09 4.88 0.11 -1.23 1.44 114.38 118.77 2yua h ARG 40 Ca -0.02 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.81 2yua h ARG 40 Cb 0.17 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.28 2yua h ARG 40 CO 0.04 0.00 -1.03 1.96 0.10 0.00 0.00 179.97 181.04 2yua h GLN 41 N 0.00 0.55 -0.57 0.08 1.08 -1.57 -3.00 115.11 111.67 2yua h GLN 41 Ca 0.38 -0.70 0.12 0.00 -1.45 0.00 0.00 58.65 56.99 2yua h GLN 41 Cb 2.53 0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 30.16 2yua h GLN 41 CO -0.00 1.30 0.39 0.00 -0.95 0.00 0.00 178.83 179.56 2yua h PHE 43 N 0.26 -0.02 -1.29 0.00 3.57 -1.55 -3.21 116.94 114.70 2yua h PHE 43 Ca 0.27 -0.00 0.38 0.00 3.53 0.00 0.00 57.97 62.14 2yua h PHE 43 Cb 0.70 0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.37 2yua h PHE 43 CO -0.00 0.71 0.89 -0.07 -2.23 0.00 0.00 178.31 177.62 2yua h LEU 44 N -0.79 0.15 -6.60 0.59 3.38 -1.28 -3.33 115.31 107.44 2yua h LEU 44 Ca -0.00 0.05 -0.28 0.00 0.09 0.00 0.00 57.88 57.73 2yua h LEU 44 Cb 0.74 0.03 -0.33 0.00 0.09 0.00 0.00 40.66 41.18 2yua h LEU 44 CO 0.00 -0.02 -0.60 -0.31 0.09 0.00 0.00 178.44 177.61 2yua s TYR 45 N -5.13 -0.48 0.31 1.13 2.02 -1.05 -5.13 117.35 109.02 2yua s TYR 45 Ca -0.06 0.22 0.03 0.00 -0.37 0.00 0.00 57.07 56.88 2yua s TYR 45 Cb 0.25 -0.31 -0.03 0.00 -0.40 0.00 0.00 41.96 41.48 2yua s TYR 45 CO 0.82 -0.75 0.48 -1.01 -1.57 0.00 0.00 175.55 173.52 2yua s HIS 46 N 2.39 3.43 0.02 2.71 3.76 -1.21 -4.65 115.29 121.73 2yua s HIS 46 Ca 0.09 0.15 -0.22 0.00 -0.15 0.00 0.00 55.06 54.93 2yua s HIS 46 Cb -0.15 -1.81 -0.17 0.00 1.11 0.00 0.00 32.58 31.56 2yua s HIS 46 CO -0.21 0.19 1.32 -1.00 -0.85 0.00 0.00 174.74 174.19 2yua h PRO 47 N 0.89 0.22 0.10 8.40 0.13 -1.90 -3.19 132.00 136.66 2yua h PRO 47 Ca -0.50 -0.12 -0.01 0.00 -0.87 0.00 0.00 66.00 64.51 2yua h PRO 47 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2yua h PRO 47 CO 0.60 0.64 -0.05 0.38 -0.23 0.00 0.00 178.00 179.34 2yua h ASP 48 N -0.19 -0.12 -0.82 1.44 3.04 -2.01 -3.31 116.42 114.45 2yua h ASP 48 Ca 0.01 -0.46 0.14 0.00 -3.24 0.00 0.00 57.03 53.49 2yua h ASP 48 Cb 0.60 0.03 -0.14 0.00 -1.04 0.00 0.00 39.33 38.78 2yua h ASP 48 CO 0.02 0.49 -0.27 0.54 -2.04 0.00 0.00 179.24 177.98 2yua n ARG 49 N -4.86 -0.14 -2.97 4.15 1.74 -1.26 -4.28 116.66 109.05 2yua n ARG 49 Ca -0.08 1.27 -0.34 0.00 -0.77 0.00 0.00 57.85 57.93 2yua n ARG 49 Cb 0.28 -1.89 -0.06 0.00 -1.02 0.00 0.00 32.46 29.77 2yua n ARG 49 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2yua s ASN 50 N -5.26 6.99 -0.05 0.55 0.01 -1.21 -5.00 114.94 110.97 2yua s ASN 50 Ca -0.12 1.54 -0.06 0.00 -0.71 0.00 0.00 52.86 53.51 2yua s ASN 50 Cb 0.19 -2.47 -0.03 0.00 0.41 0.00 0.00 41.25 39.35 2yua s ASN 50 CO 0.61 -0.18 -0.12 -1.20 -1.51 0.00 0.00 177.10 174.69 2yua n SER 51 N -0.06 1.03 -3.20 -1.22 7.64 -1.26 -4.89 113.62 111.66 2yua n SER 51 Ca 0.03 0.16 -0.22 0.00 1.01 0.00 0.00 58.87 59.85 2yua n SER 51 Cb 0.52 -0.38 -0.07 0.00 -1.01 0.00 0.00 64.21 63.28 2yua n SER 51 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yua n GLY 52 N 2.58 2.09 2.84 0.23 0.00 -1.26 -5.08 105.19 106.58 2yua n GLY 52 Ca -0.12 -1.18 -0.28 0.00 0.00 0.00 0.00 46.02 44.43 2yua n GLY 52 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yua s SER 53 N -0.60 3.13 0.04 1.61 0.15 -1.26 -5.03 113.70 111.74 2yua s SER 53 Ca 0.34 -0.86 -0.29 0.00 0.70 0.00 0.00 55.95 55.83 2yua s SER 53 Cb 0.11 -0.84 -0.17 0.00 -1.71 0.00 0.00 66.02 63.41 2yua s SER 53 CO -0.15 -0.25 1.42 0.00 1.20 0.00 0.00 173.24 175.46 2yua h ALA 54 N 8.13 -0.73 -0.99 5.45 0.00 -1.99 -2.40 119.26 126.73 2yua h ALA 54 Ca -0.19 -0.19 0.25 0.00 0.00 0.00 0.00 54.91 54.78 2yua h ALA 54 Cb 1.10 0.28 -0.19 0.00 0.00 0.00 0.00 17.79 18.99 2yua h ALA 54 CO 0.37 -0.83 -0.07 0.39 0.00 0.00 0.00 179.25 179.11 2yua n GLU 55 N -5.35 -0.08 -0.21 0.00 1.02 -1.26 0.11 120.64 114.88 2yua n GLU 55 Ca -0.12 1.50 -0.09 0.00 -0.02 0.00 0.00 57.16 58.44 2yua n GLU 55 Cb 0.32 -2.34 0.02 0.00 -0.02 0.00 0.00 31.44 29.43 2yua n GLU 55 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yua h ALA 56 N 1.98 0.77 0.88 0.62 0.00 -1.97 -2.11 119.26 119.43 2yua h ALA 56 Ca 0.56 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 2yua h ALA 56 Cb 1.06 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.64 2yua h ALA 56 CO -0.96 0.51 -0.45 0.00 0.00 0.00 0.00 179.25 178.35 2yua h ALA 57 N 1.01 -1.23 -0.64 0.00 0.00 0.13 0.10 119.26 118.64 2yua h ALA 57 Ca 0.18 -0.26 0.15 0.00 0.00 0.00 0.00 54.91 54.97 2yua h ALA 57 Cb 0.40 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 2yua h ALA 57 CO 0.01 -1.19 0.44 1.05 0.00 0.00 0.00 179.25 179.56 2yua h GLU 58 N -1.22 0.21 0.00 0.00 4.11 -1.02 -2.33 114.58 114.34 2yua h GLU 58 Ca -0.12 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.30 2yua h GLU 58 Cb 0.94 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.15 2yua h GLU 58 CO 0.18 0.14 0.00 -2.13 0.07 0.00 0.00 179.01 177.27 2yua n ARG 59 N -4.43 0.00 -0.47 1.06 3.00 -0.80 -2.38 116.66 112.65 2yua n ARG 59 Ca 0.12 0.48 0.38 0.00 -0.00 0.00 0.00 57.85 58.83 2yua n ARG 59 Cb 0.56 -1.18 0.63 0.00 0.00 0.00 0.00 32.46 32.47 2yua n ARG 59 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2yua n PHE 60 N -1.95 0.48 0.01 -0.14 7.35 0.32 0.12 117.46 123.65 2yua n PHE 60 Ca 0.00 0.48 -0.13 0.00 -0.76 0.00 0.00 57.45 57.04 2yua n PHE 60 Cb 0.00 -0.91 -0.09 0.00 0.35 0.00 0.00 39.48 38.83 2yua n PHE 60 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 2yua h THR 61 N 0.00 1.24 0.59 -2.13 2.02 -1.47 -3.14 112.91 110.02 2yua h THR 61 Ca 0.79 -1.09 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 2yua h THR 61 Cb 2.69 1.95 0.01 0.00 -1.74 0.00 0.00 68.15 71.06 2yua h THR 61 CO -0.32 0.27 -0.28 0.03 0.37 0.00 0.00 175.52 175.59 2yua h ARG 62 N -0.57 -0.77 -0.87 6.66 3.08 0.13 -3.06 114.38 118.98 2yua h ARG 62 Ca -0.01 0.05 0.21 0.00 0.07 0.00 0.00 59.98 60.31 2yua h ARG 62 Cb 0.50 0.17 -0.16 0.00 0.08 0.00 0.00 29.97 30.56 2yua h ARG 62 CO 0.01 -0.46 -0.08 -0.89 -1.07 0.00 0.00 179.97 177.48 2yua n ILE 63 N -5.38 -0.37 -0.13 2.04 5.41 -0.06 0.12 119.36 121.00 2yua n ILE 63 Ca -0.12 1.94 -0.04 0.00 1.00 0.00 0.00 62.75 65.53 2yua n ILE 63 Cb 0.34 -2.78 0.04 0.00 -0.71 0.00 0.00 39.64 36.54 2yua n ILE 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2yua h SER 64 N 0.00 -0.03 -0.84 4.38 0.02 -1.48 -1.51 113.55 114.08 2yua h SER 64 Ca 0.48 0.08 0.20 0.00 -0.84 0.00 0.00 61.79 61.71 2yua h SER 64 Cb 0.90 0.12 -0.12 0.00 0.14 0.00 0.00 62.40 63.44 2yua h SER 64 CO -0.85 0.02 0.31 1.56 -1.14 0.00 0.00 176.83 176.73 2yua h GLN 65 N 0.20 0.35 -0.20 3.45 1.08 0.90 0.43 115.11 121.31 2yua h GLN 65 Ca 0.21 -0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.35 2yua h GLN 65 Cb 0.28 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 2yua h GLN 65 CO -0.29 0.23 -0.08 0.00 -0.95 0.00 0.00 178.83 177.74 2yua h ALA 66 N 1.67 1.50 0.00 3.87 0.00 -1.08 -1.02 119.26 124.20 2yua h ALA 66 Ca 0.50 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2yua h ALA 66 Cb 0.91 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2yua h ALA 66 CO -0.52 0.36 0.00 0.98 0.00 0.00 0.00 179.25 180.06 2yua n TYR 67 N -4.29 0.00 -0.00 0.00 9.36 0.15 -3.11 117.16 119.26 2yua n TYR 67 Ca -0.00 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.22 2yua n TYR 67 Cb 0.25 0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 38.96 2yua n TYR 67 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2yua n VAL 68 N -0.81 0.06 -0.20 2.97 0.31 -0.42 -3.44 118.33 116.80 2yua n VAL 68 Ca 0.14 0.33 0.01 0.00 -0.01 0.00 0.00 64.34 64.82 2yua n VAL 68 Cb 0.07 -1.37 0.11 0.00 -0.91 0.00 0.00 33.84 31.73 2yua n VAL 68 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2yua h VAL 69 N -0.03 0.52 0.00 2.52 2.07 -1.63 -0.59 116.25 119.11 2yua h VAL 69 Ca 0.00 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 2yua h VAL 69 Cb 0.03 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 2yua h VAL 69 CO 0.00 0.03 -0.74 -0.07 0.02 0.00 0.00 177.57 176.80 2yua h LEU 70 N 0.15 0.00 -0.89 2.57 3.38 -1.79 -3.07 115.31 115.65 2yua h LEU 70 Ca 0.32 0.00 0.34 0.00 0.09 0.00 0.00 57.88 58.64 2yua h LEU 70 Cb 0.52 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.11 2yua h LEU 70 CO -0.50 0.19 0.37 0.61 0.09 0.00 0.00 178.44 179.20 2yua n GLY 71 N 1.21 -0.79 3.76 0.83 0.00 -0.23 -4.41 105.19 105.56 2yua n GLY 71 Ca -0.00 0.75 -0.23 0.00 0.00 0.00 0.00 46.02 46.54 2yua n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yua s SER 72 N -4.67 4.81 -0.12 1.61 0.01 -1.24 -4.98 113.70 109.11 2yua s SER 72 Ca -0.09 -0.73 -0.26 0.00 1.31 0.00 0.00 55.95 56.19 2yua s SER 72 Cb 0.29 -0.76 -0.23 0.00 0.21 0.00 0.00 66.02 65.53 2yua s SER 72 CO 0.69 -0.33 0.76 0.00 0.41 0.00 0.00 173.24 174.77 2yua h ALA 73 N 1.46 -0.01 -0.19 1.44 0.00 -1.90 -3.27 119.26 116.80 2yua h ALA 73 Ca -0.44 -0.42 0.05 0.00 0.00 0.00 0.00 54.91 54.10 2yua h ALA 73 Cb 1.25 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 2yua h ALA 73 CO 0.62 -0.04 -0.41 1.15 0.00 0.00 0.00 179.25 180.57 2yua h THR 74 N -0.94 0.16 -0.42 0.00 2.02 -1.95 -2.62 112.91 109.16 2yua h THR 74 Ca -0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 2yua h THR 74 Cb 0.84 0.16 -0.07 0.00 -1.74 0.00 0.00 68.15 67.34 2yua h THR 74 CO 0.00 0.00 -0.48 -0.07 0.37 0.00 0.00 175.52 175.35 2yua h LEU 75 N -0.45 -1.61 -0.76 2.58 3.38 -1.80 -0.55 115.31 116.11 2yua h LEU 75 Ca 0.09 0.22 0.14 0.00 0.09 0.00 0.00 57.88 58.42 2yua h LEU 75 Cb 0.61 0.67 -0.14 0.00 0.09 0.00 0.00 40.66 41.89 2yua h LEU 75 CO -0.43 -0.32 -0.22 0.54 0.09 0.00 0.00 178.44 178.10 2yua n ARG 76 N -4.94 -0.10 -0.02 1.13 1.74 -1.00 0.13 116.66 113.60 2yua n ARG 76 Ca -0.02 1.17 -0.10 0.00 -0.77 0.00 0.00 57.85 58.13 2yua n ARG 76 Cb 0.28 -1.75 -0.04 0.00 -1.02 0.00 0.00 32.46 29.93 2yua n ARG 76 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2yua h ARG 77 N 0.00 0.11 -0.42 5.56 3.08 -0.98 -2.61 114.38 119.12 2yua h ARG 77 Ca 0.33 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.42 2yua h ARG 77 Cb 0.52 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.48 2yua h ARG 77 CO -0.77 0.07 -0.42 0.87 -1.07 0.00 0.00 179.97 178.66 2yua h LYS 78 N 0.11 -0.20 -0.99 0.04 1.57 0.16 0.20 116.57 117.46 2yua h LYS 78 Ca 0.06 0.01 0.20 0.00 -1.87 0.00 0.00 60.65 59.06 2yua h LYS 78 Cb 0.04 0.05 -0.10 0.00 0.08 0.00 0.00 32.23 32.29 2yua h LYS 78 CO -0.06 -0.14 0.62 -0.92 -0.57 0.00 0.00 179.45 178.38 2yua h TYR 79 N -0.21 0.92 -0.22 -1.35 3.20 -1.37 0.82 116.97 118.76 2yua h TYR 79 Ca 0.07 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.03 2yua h TYR 79 Cb 0.40 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 2yua h TYR 79 CO -0.78 0.19 0.16 0.22 -1.64 0.00 0.00 178.16 176.32 2yua h ASP 80 N 0.65 0.00 -0.01 -2.11 1.82 -0.24 -1.14 116.42 115.38 2yua h ASP 80 Ca 0.56 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.20 2yua h ASP 80 Cb 1.03 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.04 2yua h ASP 80 CO -0.34 0.00 -0.02 0.54 -1.61 0.00 0.00 179.24 177.82 2yua n ARG 81 N -4.44 0.67 -1.39 0.28 5.12 0.13 -4.98 116.66 112.06 2yua n ARG 81 Ca 0.02 -1.12 -0.03 0.00 -1.93 0.00 0.00 57.85 54.79 2yua n ARG 81 Cb 0.31 -1.20 -0.01 0.00 -1.16 0.00 0.00 32.46 30.39 2yua n ARG 81 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2yua n GLY 82 N 0.65 0.50 0.15 -0.13 0.00 0.24 -4.92 105.19 101.68 2yua n GLY 82 Ca 0.06 -0.88 0.12 0.00 0.00 0.00 0.00 46.02 45.32 2yua n GLY 82 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2yua h LEU 83 N 0.00 0.00 -9.34 0.99 3.38 -0.92 -3.46 115.31 105.96 2yua h LEU 83 Ca -0.07 -0.03 -0.54 0.00 0.09 0.00 0.00 57.88 57.33 2yua h LEU 83 Cb 0.46 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 2yua h LEU 83 CO 0.09 0.02 0.97 -0.22 0.09 0.00 0.00 178.44 179.39 2yua s LEU 84 N -5.42 4.32 0.28 1.67 2.96 -1.25 -4.91 118.68 116.34 2yua s LEU 84 Ca 0.05 2.22 -0.09 0.00 -0.22 0.00 0.00 54.13 56.09 2yua s LEU 84 Cb 0.09 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 43.16 2yua s LEU 84 CO 0.71 -0.84 0.61 -0.55 -1.32 0.00 0.00 176.35 174.96 2yua s SER 85 N 2.54 6.59 0.27 3.68 0.15 -1.26 -4.91 113.70 120.76 2yua s SER 85 Ca 0.69 0.95 -0.01 0.00 0.70 0.00 0.00 55.95 58.28 2yua s SER 85 Cb -0.33 -2.24 0.58 0.00 -1.71 0.00 0.00 66.02 62.32 2yua s SER 85 CO 0.28 -0.17 1.69 0.44 1.20 0.00 0.00 173.24 176.68 2yua h ASP 86 N 2.11 0.14 -0.98 5.45 3.32 -2.00 0.25 116.42 124.71 2yua h ASP 86 Ca -0.47 0.15 0.21 0.00 0.02 0.00 0.00 57.03 56.94 2yua h ASP 86 Cb 1.18 0.18 -0.09 0.00 0.22 0.00 0.00 39.33 40.81 2yua h ASP 86 CO 0.67 -0.03 0.62 -0.33 -1.72 0.00 0.00 179.24 178.45 2yua h GLU 87 N 0.32 0.55 0.15 3.56 4.39 -1.97 -1.07 114.58 120.51 2yua h GLU 87 Ca 0.48 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 60.14 2yua h GLU 87 Cb 0.87 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 2yua h GLU 87 CO -0.53 0.37 -0.07 -0.44 -1.16 0.00 0.00 179.01 177.18 2yua h ASP 88 N 0.57 -0.17 -0.56 1.42 3.32 -0.85 0.19 116.42 120.35 2yua h ASP 88 Ca 0.55 -0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.63 2yua h ASP 88 Cb 1.12 0.04 -0.08 0.00 0.22 0.00 0.00 39.33 40.63 2yua h ASP 88 CO -0.30 -0.08 -0.48 -0.07 -1.72 0.00 0.00 179.24 176.59 2yua h LEU 89 N -0.25 -1.68 -0.56 1.55 3.38 -1.12 -0.90 115.31 115.74 2yua h LEU 89 Ca -0.02 0.24 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 2yua h LEU 89 Cb 0.19 0.71 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 2yua h LEU 89 CO 0.03 -0.27 0.13 0.08 0.09 0.00 0.00 178.44 178.50 2yua h ARG 90 N -0.19 0.89 0.00 1.13 0.11 -1.51 -3.46 114.38 111.36 2yua h ARG 90 Ca 0.09 -0.22 0.00 0.00 0.10 0.00 0.00 59.98 59.96 2yua h ARG 90 Cb 0.43 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.39 2yua h ARG 90 CO -0.63 0.84 0.00 0.41 0.10 0.00 0.00 179.97 180.69 2yua n GLY 91 N -0.62 2.20 3.59 0.08 0.00 0.68 -5.07 105.19 106.04 2yua n GLY 91 Ca 0.02 -1.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.06 2yua n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yua s PRO 92 N -4.36 -1.36 0.21 1.61 0.04 -1.26 -4.93 135.00 124.95 2yua s PRO 92 Ca 0.00 -0.11 0.00 0.00 0.04 0.00 0.00 61.00 60.93 2yua s PRO 92 Cb 0.00 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.96 2yua s PRO 92 CO 0.00 -3.79 0.00 0.41 0.04 0.00 0.00 177.00 173.66 2yua n GLY 93 N -0.94 -0.22 3.57 0.56 0.00 -1.26 -5.08 105.19 101.82 2yua n GLY 93 Ca 0.14 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.67 2yua n GLY 93 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yua n SER 94 N -3.35 1.19 0.00 1.61 7.64 -1.26 -4.72 113.62 114.73 2yua n SER 94 Ca 0.00 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.03 2yua n SER 94 Cb 0.02 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.01 2yua n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yua n GLY 95 N 1.89 -1.87 3.62 0.23 0.00 -1.26 -5.16 105.19 102.63 2yua n GLY 95 Ca 0.14 0.77 -0.30 0.00 0.00 0.00 0.00 46.02 46.64 2yua n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yua s PRO 96 N 0.49 -0.76 0.12 1.61 0.04 -1.26 -4.91 135.00 130.33 2yua s PRO 96 Ca 0.00 0.10 -0.35 0.00 0.04 0.00 0.00 61.00 60.78 2yua s PRO 96 Cb 0.00 -1.64 -0.16 0.00 0.04 0.00 0.00 34.50 32.75 2yua s PRO 96 CO 0.00 -3.44 1.37 -1.13 0.04 0.00 0.00 177.00 173.84 2yua n SER 97 N -4.60 1.97 -3.99 6.66 3.41 -1.26 -4.97 113.62 110.84 2yua n SER 97 Ca 0.11 1.12 -0.08 0.00 -0.26 0.00 0.00 58.87 59.75 2yua n SER 97 Cb 0.59 -1.26 -0.09 0.00 -0.26 0.00 0.00 64.21 63.20 2yua n SER 97 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2yua s SER 98 N 0.50 0.27 0.00 4.04 0.15 -1.26 -5.22 113.70 112.18 2yua s SER 98 Ca 0.81 -0.88 0.00 0.00 0.70 0.00 0.00 55.95 56.58 2yua s SER 98 Cb -0.87 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 63.74 2yua s SER 98 CO 0.46 -0.70 0.00 0.61 1.20 0.00 0.00 173.24 174.80