#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aae h ASP 3 N 5.52 0.09 -3.78 0.00 3.32 -0.62 -3.45 116.42 117.50 2aae h ASP 3 Ca -0.47 -0.09 -0.39 0.00 0.02 0.00 0.00 57.03 56.09 2aae h ASP 3 Cb 1.19 -0.03 -0.31 0.00 0.22 0.00 0.00 39.33 40.41 2aae h ASP 3 CO 0.58 1.04 -0.77 -0.31 -1.72 0.00 0.00 179.24 178.06 2aae s TYR 4 N -2.78 0.76 -0.12 4.55 2.02 -0.72 -4.96 117.35 116.11 2aae s TYR 4 Ca -0.00 -0.18 -0.00 0.00 -0.37 0.00 0.00 57.07 56.52 2aae s TYR 4 Cb 0.10 -0.56 0.02 0.00 -0.40 0.00 0.00 41.96 41.12 2aae s TYR 4 CO 0.83 -0.09 -0.10 0.99 -1.57 0.00 0.00 175.55 175.61 2aae s THR 5 N 0.24 1.22 -0.36 -0.71 2.01 -1.26 -0.11 115.64 116.68 2aae s THR 5 Ca -0.03 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 61.56 2aae s THR 5 Cb -0.08 -1.19 0.09 0.00 0.01 0.00 0.00 72.50 71.33 2aae s THR 5 CO 0.00 0.40 0.10 0.00 -0.69 0.00 0.00 174.62 174.43 2aae n GLY 7 N 4.47 2.58 0.95 0.00 0.00 -1.26 -0.53 105.19 111.39 2aae n GLY 7 Ca -0.03 0.23 0.10 0.00 0.00 0.00 0.00 46.02 46.32 2aae n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2aae n SER 8 N 10.58 3.14 -4.72 1.61 3.41 -1.26 -4.95 113.62 121.42 2aae n SER 8 Ca 0.00 -1.91 -0.40 0.00 -0.26 0.00 0.00 58.87 56.31 2aae n SER 8 Cb 0.00 -0.22 -0.05 0.00 -0.26 0.00 0.00 64.21 63.69 2aae n SER 8 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2aae s ASN 9 N -1.28 7.01 -0.21 4.04 0.01 0.31 -5.07 114.94 119.76 2aae s ASN 9 Ca 0.32 1.21 -0.08 0.00 -0.71 0.00 0.00 52.86 53.60 2aae s ASN 9 Cb 0.19 -2.42 -0.04 0.00 0.41 0.00 0.00 41.25 39.39 2aae s ASN 9 CO 0.26 -0.10 0.08 0.00 -1.51 0.00 0.00 177.10 175.83 2aae s TYR 11 N 0.80 1.58 0.40 0.00 2.02 0.84 -5.01 117.35 117.99 2aae s TYR 11 Ca 0.04 -0.30 0.02 0.00 -0.37 0.00 0.00 57.07 56.47 2aae s TYR 11 Cb -0.13 -1.01 -0.01 0.00 -0.40 0.00 0.00 41.96 40.41 2aae s TYR 11 CO 0.02 -0.02 0.59 -1.54 -1.57 0.00 0.00 175.55 173.03 2aae s SER 12 N -0.43 5.92 0.41 2.29 1.04 -1.26 0.17 113.70 121.83 2aae s SER 12 Ca 0.07 0.14 0.12 0.00 0.48 0.00 0.00 55.95 56.77 2aae s SER 12 Cb -0.07 -1.48 0.96 0.00 0.10 0.00 0.00 66.02 65.53 2aae s SER 12 CO -0.01 -0.57 1.94 0.28 0.98 0.00 0.00 173.24 175.87 2aae h SER 13 N 0.60 0.46 -0.28 7.02 0.02 -1.97 -1.69 113.55 117.70 2aae h SER 13 Ca -0.46 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.51 2aae h SER 13 Cb 1.25 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.69 2aae h SER 13 CO 0.56 0.26 0.16 0.77 -1.14 0.00 0.00 176.83 177.44 2aae h SER 14 N 0.50 0.25 -0.71 3.07 4.64 -1.99 0.09 113.55 119.40 2aae h SER 14 Ca 0.33 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.66 2aae h SER 14 Cb 0.61 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 62.62 2aae h SER 14 CO -0.11 0.18 0.47 0.44 -0.87 0.00 0.00 176.83 176.95 2aae h ASP 15 N 0.32 0.81 -0.27 4.97 3.32 -1.72 -0.58 116.42 123.28 2aae h ASP 15 Ca 0.11 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 56.99 2aae h ASP 15 Cb 0.01 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 2aae h ASP 15 CO -0.06 0.59 -0.42 0.58 -1.72 0.00 0.00 179.24 178.21 2aae h VAL 16 N 0.96 1.30 -0.59 -1.35 2.07 -0.98 -2.32 116.25 115.33 2aae h VAL 16 Ca 0.26 -1.61 0.07 0.00 0.82 0.00 0.00 66.70 66.24 2aae h VAL 16 Cb -0.10 1.66 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 2aae h VAL 16 CO -0.06 0.52 0.28 0.28 0.02 0.00 0.00 177.57 178.60 2aae h SER 17 N 0.51 0.36 -0.09 0.57 0.02 -0.57 0.21 113.55 114.56 2aae h SER 17 Ca 0.02 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2aae h SER 17 Cb 1.01 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.54 2aae h SER 17 CO 0.10 0.23 0.02 0.74 -1.14 0.00 0.00 176.83 176.78 2aae h THR 18 N 0.51 1.20 -0.38 -2.27 2.02 -1.14 -1.64 112.91 111.22 2aae h THR 18 Ca 0.28 -0.62 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 2aae h THR 18 Cb 0.25 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 2aae h THR 18 CO -0.23 0.18 0.11 0.00 0.37 0.00 0.00 175.52 175.95 2aae h ALA 19 N 0.80 0.49 -0.39 6.16 0.00 -1.18 -2.73 119.26 122.42 2aae h ALA 19 Ca 0.03 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2aae h ALA 19 Cb 0.26 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2aae h ALA 19 CO 0.00 0.14 0.22 0.37 0.00 0.00 0.00 179.25 179.98 2aae h GLN 20 N 0.46 0.43 -0.71 0.00 4.15 -0.55 -1.75 115.11 117.14 2aae h GLN 20 Ca 0.12 -0.03 0.09 0.00 0.77 0.00 0.00 58.65 59.61 2aae h GLN 20 Cb 0.27 -0.10 -0.07 0.00 0.21 0.00 0.00 27.48 27.79 2aae h GLN 20 CO -0.00 0.28 0.35 0.00 -1.93 0.00 0.00 178.83 177.53 2aae h ALA 21 N 1.18 0.97 -0.44 3.38 0.00 -1.24 0.13 119.26 123.25 2aae h ALA 21 Ca 0.16 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 2aae h ALA 21 Cb 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2aae h ALA 21 CO -0.09 -0.04 -0.07 0.00 0.00 0.00 0.00 179.25 179.05 2aae h ALA 22 N 1.43 0.60 -0.50 0.00 0.00 -1.12 -2.33 119.26 117.33 2aae h ALA 22 Ca 0.35 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2aae h ALA 22 Cb 0.36 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2aae h ALA 22 CO -0.27 0.45 -0.06 0.78 0.00 0.00 0.00 179.25 180.16 2aae h GLY 23 N 0.65 1.00 1.11 0.00 0.00 -0.89 -2.42 103.07 102.52 2aae h GLY 23 Ca 0.11 -0.78 -0.12 0.00 0.00 0.00 0.00 47.33 46.55 2aae h GLY 23 CO 0.04 0.72 -0.12 -1.82 0.00 0.00 0.00 176.54 175.36 2aae h TYR 24 N 0.79 1.16 -0.75 5.60 3.20 -0.75 -0.33 116.97 125.88 2aae h TYR 24 Ca 0.13 -0.24 -0.02 0.00 3.14 0.00 0.00 58.73 61.74 2aae h TYR 24 Cb 0.60 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 2aae h TYR 24 CO 0.04 1.07 0.38 -0.22 -1.64 0.00 0.00 178.16 177.80 2aae h LYS 25 N 0.92 1.07 -0.60 1.82 1.63 -1.32 -0.40 116.57 119.69 2aae h LYS 25 Ca 0.14 -0.15 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 2aae h LYS 25 Cb 0.69 -0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 32.09 2aae h LYS 25 CO 0.05 0.82 0.31 -0.07 -3.45 0.00 0.00 179.45 177.10 2aae h LEU 26 N 1.05 0.76 -0.58 5.20 3.38 -1.21 -1.82 115.31 122.08 2aae h LEU 26 Ca 0.26 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.19 2aae h LEU 26 Cb 0.09 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 2aae h LEU 26 CO -0.04 0.66 0.26 -0.74 0.09 0.00 0.00 178.44 178.67 2aae h HIS 27 N 0.81 0.47 -0.64 1.13 2.76 -0.19 -1.60 115.15 117.88 2aae h HIS 27 Ca 0.21 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.33 2aae h HIS 27 Cb 0.08 -0.12 -0.03 0.00 1.55 0.00 0.00 27.41 28.89 2aae h HIS 27 CO -0.01 0.18 0.11 0.93 -1.30 0.00 0.00 177.93 177.85 2aae h GLU 28 N 0.48 1.04 0.00 5.26 5.08 -0.73 -3.06 114.58 122.66 2aae h GLU 28 Ca 0.28 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2aae h GLU 28 Cb 0.26 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2aae h GLU 28 CO -0.23 0.95 0.00 -0.25 -1.00 0.00 0.00 179.01 178.48 2aae n ASP 29 N -4.22 0.50 -1.56 1.42 8.00 -0.72 -4.90 116.55 115.06 2aae n ASP 29 Ca 0.04 0.58 -0.11 0.00 0.71 0.00 0.00 54.79 56.01 2aae n ASP 29 Cb 0.28 -0.70 0.01 0.00 -0.02 0.00 0.00 41.12 40.69 2aae n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2aae n GLY 30 N 0.72 0.01 3.51 0.44 0.00 -0.67 -5.02 105.19 104.19 2aae n GLY 30 Ca 0.04 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 2aae n GLY 30 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2aae s GLU 31 N -4.97 1.79 0.05 1.61 2.56 -0.82 -5.06 118.70 113.86 2aae s GLU 31 Ca 0.11 -1.77 -0.02 0.00 0.00 0.00 0.00 54.97 53.30 2aae s GLU 31 Cb -0.05 -1.80 -0.03 0.00 2.00 0.00 0.00 34.13 34.25 2aae s GLU 31 CO 0.14 0.29 -0.00 0.95 -0.56 0.00 0.00 175.26 176.07 2aae s THR 32 N -2.51 0.19 0.02 -1.70 -4.23 -1.26 -4.38 115.64 101.78 2aae s THR 32 Ca 0.31 -1.59 0.01 0.00 -1.18 0.00 0.00 61.69 59.24 2aae s THR 32 Cb -0.03 -1.29 -0.02 0.00 1.34 0.00 0.00 72.50 72.50 2aae s THR 32 CO 0.16 -0.88 -0.04 0.68 -0.54 0.00 0.00 174.62 174.00 2aae s VAL 33 N -3.48 0.26 0.00 2.29 -7.23 -0.37 -4.90 120.40 106.97 2aae s VAL 33 Ca 0.03 -0.84 0.00 0.00 -1.81 0.00 0.00 61.98 59.36 2aae s VAL 33 Cb 0.05 -0.36 0.00 0.00 0.56 0.00 0.00 36.38 36.63 2aae s VAL 33 CO -0.08 -0.38 0.00 0.61 -0.31 0.00 0.00 175.10 174.94 2aae n GLY 34 N 1.77 -0.87 0.30 2.32 0.00 -1.26 -2.17 105.19 105.29 2aae n GLY 34 Ca -0.22 -1.62 0.08 0.00 0.00 0.00 0.00 46.02 44.25 2aae n GLY 34 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2aae h SER 35 N 0.00 0.26 -0.23 1.61 0.02 -1.98 -0.38 113.55 112.84 2aae h SER 35 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2aae h SER 35 Cb 0.00 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.48 2aae h SER 35 CO 0.00 0.18 0.00 0.59 -1.14 0.00 0.00 176.83 176.46 2aae n ASN 36 N -4.49 2.04 -3.07 3.07 4.13 -1.26 -5.03 115.26 110.66 2aae n ASN 36 Ca 0.02 -1.80 -0.10 0.00 1.68 0.00 0.00 54.58 54.38 2aae n ASN 36 Cb 0.15 -0.15 0.01 0.00 -1.54 0.00 0.00 39.78 38.25 2aae n ASN 36 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2aae n SER 37 N 0.57 -7.40 -4.86 6.41 7.64 -0.15 -4.97 113.62 110.86 2aae n SER 37 Ca 0.16 0.15 -0.33 0.00 1.01 0.00 0.00 58.87 59.86 2aae n SER 37 Cb 0.38 -4.67 -0.06 0.00 -1.01 0.00 0.00 64.21 58.85 2aae n SER 37 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2aae s TYR 38 N -2.64 3.46 0.57 1.43 2.02 -0.92 -4.08 117.35 117.20 2aae s TYR 38 Ca 0.16 0.31 -0.17 0.00 -0.37 0.00 0.00 57.07 57.01 2aae s TYR 38 Cb -0.04 -1.80 -0.04 0.00 -0.40 0.00 0.00 41.96 39.68 2aae s TYR 38 CO 0.79 0.62 1.07 -1.25 -1.57 0.00 0.00 175.55 175.20 2aae s PRO 39 N -1.83 3.35 0.07 -1.71 0.04 -1.26 -1.24 135.00 132.41 2aae s PRO 39 Ca 0.25 1.32 0.01 0.00 0.04 0.00 0.00 61.00 62.63 2aae s PRO 39 Cb -0.12 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 2aae s PRO 39 CO 0.16 -0.80 -0.06 -1.59 0.04 0.00 0.00 177.00 174.75 2aae s LYS 40 N -3.79 0.70 0.28 4.56 -2.85 -0.98 -4.91 119.74 112.75 2aae s LYS 40 Ca 0.66 -1.17 -0.30 0.00 -1.00 0.00 0.00 55.97 54.16 2aae s LYS 40 Cb -0.18 -0.11 -0.12 0.00 -2.06 0.00 0.00 37.83 35.36 2aae s LYS 40 CO 0.33 -0.03 1.49 1.63 0.10 0.00 0.00 175.35 178.87 2aae n LYS 41 N 0.33 2.38 -3.95 1.78 4.76 -1.26 -0.54 118.16 121.66 2aae n LYS 41 Ca -0.15 0.85 -0.35 0.00 -2.87 0.00 0.00 58.31 55.78 2aae n LYS 41 Cb 0.59 -2.56 -0.12 0.00 -1.84 0.00 0.00 35.03 31.10 2aae n LYS 41 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 2aae s TYR 42 N -0.12 3.07 -0.26 2.13 5.04 0.69 -4.69 117.35 123.21 2aae s TYR 42 Ca 0.65 -0.41 -0.10 0.00 -2.44 0.00 0.00 57.07 54.77 2aae s TYR 42 Cb -0.56 -2.14 -0.04 0.00 0.35 0.00 0.00 41.96 39.56 2aae s TYR 42 CO 0.50 -0.25 0.15 -0.80 -1.34 0.00 0.00 175.55 173.81 2aae s ASN 43 N 1.16 5.80 -1.42 4.32 -0.87 -1.26 -4.20 114.94 118.46 2aae s ASN 43 Ca 0.03 -0.03 -0.07 0.00 -1.57 0.00 0.00 52.86 51.22 2aae s ASN 43 Cb -0.14 -2.06 0.04 0.00 -0.02 0.00 0.00 41.25 39.06 2aae s ASN 43 CO 0.02 -0.02 2.61 -3.20 -2.57 0.00 0.00 177.10 173.95 2aae n ASN 44 N 4.82 8.31 0.24 -1.22 4.05 -1.26 -4.60 115.26 125.60 2aae n ASN 44 Ca -0.15 -2.93 0.11 0.00 0.45 0.00 0.00 54.58 52.06 2aae n ASN 44 Cb 0.52 -1.43 0.60 0.00 1.23 0.00 0.00 39.78 40.69 2aae n ASN 44 CO 0.00 0.00 0.00 0.10 -3.05 0.00 0.00 177.26 174.31 2aae h TYR 45 N 4.73 0.00 0.00 1.20 -0.00 -2.00 -2.40 116.97 118.50 2aae h TYR 45 Ca 0.77 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.50 2aae h TYR 45 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.03 2aae h TYR 45 CO 1.71 0.18 0.00 0.93 -0.00 0.00 0.00 178.16 180.98 2aae h GLU 46 N 0.00 0.00 -2.85 0.10 4.39 -1.96 -3.48 114.58 110.78 2aae h GLU 46 Ca -0.00 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.48 2aae h GLU 46 Cb 0.52 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.21 2aae h GLU 46 CO 0.02 0.00 -0.33 0.41 -1.16 0.00 0.00 179.01 177.95 2aae n GLY 47 N 0.88 0.07 3.77 -3.84 0.00 -0.90 -5.01 105.19 100.16 2aae n GLY 47 Ca 0.04 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 2aae n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2aae s PHE 48 N -2.95 2.55 -0.90 1.61 0.08 -1.26 -4.91 117.98 112.20 2aae s PHE 48 Ca 0.20 1.31 -0.22 0.00 0.12 0.00 0.00 56.93 58.34 2aae s PHE 48 Cb -0.09 -3.84 0.07 0.00 -0.57 0.00 0.00 43.02 38.60 2aae s PHE 48 CO 0.25 -2.70 1.26 0.34 -0.10 0.00 0.00 175.22 174.27 2aae s ASP 49 N -0.61 6.44 0.11 1.36 -1.08 -1.26 -5.00 116.67 116.62 2aae s ASP 49 Ca 0.61 -1.40 0.02 0.00 -0.52 0.00 0.00 52.55 51.26 2aae s ASP 49 Cb -0.42 -2.50 -0.04 0.00 -1.46 0.00 0.00 42.92 38.51 2aae s ASP 49 CO 0.53 -1.42 0.17 -0.36 0.52 0.00 0.00 175.17 174.62 2aae s PHE 50 N 4.28 3.34 -0.22 -5.34 0.08 -1.26 -4.99 117.98 113.87 2aae s PHE 50 Ca 0.37 0.12 0.15 0.00 0.12 0.00 0.00 56.93 57.68 2aae s PHE 50 Cb -0.05 -1.65 0.69 0.00 -0.57 0.00 0.00 43.02 41.44 2aae s PHE 50 CO -0.03 0.54 1.61 -1.13 -0.10 0.00 0.00 175.22 176.11 2aae n SER 51 N 0.03 4.83 -4.39 1.36 3.41 -1.26 -4.90 113.62 112.70 2aae n SER 51 Ca -0.07 -3.01 -0.30 0.00 -0.26 0.00 0.00 58.87 55.23 2aae n SER 51 Cb 0.53 -0.63 -0.14 0.00 -0.26 0.00 0.00 64.21 63.71 2aae n SER 51 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2aae s VAL 52 N -2.83 2.39 0.48 -3.33 0.11 -1.26 -5.12 120.40 110.84 2aae s VAL 52 Ca 0.49 -1.39 -0.11 0.00 -2.93 0.00 0.00 61.98 58.04 2aae s VAL 52 Cb 0.39 -1.98 -0.06 0.00 -1.53 0.00 0.00 36.38 33.19 2aae s VAL 52 CO 0.12 0.30 0.87 -0.94 -3.33 0.00 0.00 175.10 172.13 2aae s SER 53 N -1.47 6.47 0.93 3.54 1.04 -1.26 -5.02 113.70 117.93 2aae s SER 53 Ca 0.13 1.27 -0.12 0.00 0.48 0.00 0.00 55.95 57.70 2aae s SER 53 Cb -0.10 -2.38 0.15 0.00 0.10 0.00 0.00 66.02 63.78 2aae s SER 53 CO 0.04 -0.55 1.13 -0.94 0.98 0.00 0.00 173.24 173.91 2aae s SER 54 N -3.42 3.35 0.82 7.02 1.04 -1.26 -4.64 113.70 116.61 2aae s SER 54 Ca 0.53 0.97 -0.11 0.00 0.48 0.00 0.00 55.95 57.82 2aae s SER 54 Cb -0.10 -1.54 0.09 0.00 0.10 0.00 0.00 66.02 64.57 2aae s SER 54 CO 0.37 -2.65 1.12 -2.84 0.98 0.00 0.00 173.24 170.22 2aae s PRO 55 N -5.26 1.80 0.12 4.02 0.02 -1.26 -4.81 135.00 129.63 2aae s PRO 55 Ca 0.64 1.35 0.10 0.00 0.02 0.00 0.00 61.00 63.11 2aae s PRO 55 Cb -0.15 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.50 2aae s PRO 55 CO 0.54 -2.02 -0.24 0.71 -0.33 0.00 0.00 177.00 175.66 2aae s TYR 56 N -2.74 2.07 -0.01 6.54 2.02 -1.26 -2.37 117.35 121.61 2aae s TYR 56 Ca 0.64 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.96 2aae s TYR 56 Cb -0.20 -1.12 -0.00 0.00 -0.40 0.00 0.00 41.96 40.23 2aae s TYR 56 CO 0.56 0.28 -0.06 0.71 -1.57 0.00 0.00 175.55 175.46 2aae s TYR 57 N -1.11 0.55 -0.01 2.71 1.51 0.47 -0.23 117.35 121.24 2aae s TYR 57 Ca 0.10 -0.11 0.03 0.00 -1.01 0.00 0.00 57.07 56.08 2aae s TYR 57 Cb -0.10 -0.37 -0.03 0.00 -0.11 0.00 0.00 41.96 41.35 2aae s TYR 57 CO 0.05 -0.02 -0.06 -1.83 -1.11 0.00 0.00 175.55 172.58 2aae s GLU 58 N -0.08 2.62 -0.06 -0.62 -1.05 0.30 -0.63 118.70 119.16 2aae s GLU 58 Ca 0.02 -0.68 -0.04 0.00 -0.15 0.00 0.00 54.97 54.12 2aae s GLU 58 Cb -0.03 -2.54 0.03 0.00 -0.44 0.00 0.00 34.13 31.15 2aae s GLU 58 CO -0.00 0.62 0.16 -0.46 0.95 0.00 0.00 175.26 176.52 2aae s TRP 59 N -0.97 -0.18 0.38 4.83 -0.11 -0.39 -2.31 118.94 120.18 2aae s TRP 59 Ca 0.16 0.47 -0.27 0.00 1.22 0.00 0.00 56.10 57.68 2aae s TRP 59 Cb -0.11 0.01 -0.09 0.00 -1.50 0.00 0.00 33.47 31.78 2aae s TRP 59 CO 0.07 -0.12 1.30 -2.14 -4.62 0.00 0.00 176.95 171.43 2aae s PRO 60 N 0.55 4.12 -0.08 5.86 0.02 -1.26 -0.79 135.00 143.42 2aae s PRO 60 Ca -0.04 2.17 0.03 0.00 0.02 0.00 0.00 61.00 63.18 2aae s PRO 60 Cb -0.05 -2.87 0.01 0.00 0.02 0.00 0.00 34.50 31.60 2aae s PRO 60 CO -0.03 -0.37 -0.18 -1.50 -0.33 0.00 0.00 177.00 174.59 2aae s ILE 61 N -1.22 1.60 -0.07 2.83 2.07 -0.93 -4.54 121.20 120.93 2aae s ILE 61 Ca 0.54 -0.76 -0.08 0.00 -1.41 0.00 0.00 60.65 58.94 2aae s ILE 61 Cb -0.38 -1.41 -0.04 0.00 0.13 0.00 0.00 42.46 40.76 2aae s ILE 61 CO 0.50 0.46 0.21 -0.76 -1.91 0.00 0.00 174.94 173.44 2aae s LEU 62 N 0.45 4.40 0.47 8.50 1.43 -1.26 -4.34 118.68 128.33 2aae s LEU 62 Ca -0.16 0.56 0.15 0.00 -1.03 0.00 0.00 54.13 53.66 2aae s LEU 62 Cb -0.16 -2.30 1.08 0.00 0.03 0.00 0.00 46.19 44.84 2aae s LEU 62 CO 0.06 0.36 2.03 0.77 0.23 0.00 0.00 176.35 179.80 2aae h SER 63 N 4.69 0.00 0.37 2.29 4.64 -1.95 -1.91 113.55 121.68 2aae h SER 63 Ca -0.53 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.74 2aae h SER 63 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 2aae h SER 63 CO 0.61 0.14 -0.22 0.77 -0.87 0.00 0.00 176.83 177.25 2aae h SER 64 N 0.00 0.00 0.00 4.97 4.64 -1.98 -3.46 113.55 117.72 2aae h SER 64 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2aae h SER 64 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2aae h SER 64 CO 0.02 0.22 0.00 0.61 -0.87 0.00 0.00 176.83 176.81 2aae n GLY 65 N -0.63 1.83 3.77 -0.77 0.00 -0.72 -5.06 105.19 103.61 2aae n GLY 65 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2aae n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2aae s ASP 66 N -1.48 5.67 0.14 1.61 1.01 -1.26 -4.98 116.67 117.38 2aae s ASP 66 Ca 0.00 2.24 -0.26 0.00 0.71 0.00 0.00 52.55 55.24 2aae s ASP 66 Cb 0.00 -2.59 -0.07 0.00 1.01 0.00 0.00 42.92 41.27 2aae s ASP 66 CO 0.00 -1.26 0.82 -0.69 0.21 0.00 0.00 175.17 174.25 2aae s VAL 67 N -1.70 4.42 0.17 -1.27 1.01 -1.26 -4.35 120.40 117.41 2aae s VAL 67 Ca 0.73 1.79 -0.32 0.00 0.00 0.00 0.00 61.98 64.18 2aae s VAL 67 Cb -0.26 -4.19 -0.11 0.00 0.00 0.00 0.00 36.38 31.83 2aae s VAL 67 CO 0.29 0.46 1.71 -0.47 0.00 0.00 0.00 175.10 177.09 2aae s TYR 68 N -0.77 2.75 0.00 5.22 5.04 -1.26 -4.89 117.35 123.44 2aae s TYR 68 Ca 0.38 0.33 0.00 0.00 -2.44 0.00 0.00 57.07 55.34 2aae s TYR 68 Cb -0.23 -4.09 0.00 0.00 0.35 0.00 0.00 41.96 37.99 2aae s TYR 68 CO 0.27 -4.21 0.44 -1.13 -1.34 0.00 0.00 175.55 169.58 2aae n SER 69 N 4.45 0.83 0.00 4.32 3.41 -1.26 -5.06 113.62 120.31 2aae n SER 69 Ca 0.16 -1.11 0.00 0.00 -0.26 0.00 0.00 58.87 57.66 2aae n SER 69 Cb 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 2aae n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2aae n GLY 70 N -0.05 1.17 6.78 5.00 0.00 -1.26 -4.66 105.19 112.17 2aae n GLY 70 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.02 2aae n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aae n GLY 71 N -1.81 -1.65 3.71 -0.02 0.00 -1.26 -4.80 105.19 99.36 2aae n GLY 71 Ca 0.00 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 2aae n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2aae s SER 72 N -4.00 6.67 0.00 1.61 0.15 -1.26 -4.75 113.70 112.11 2aae s SER 72 Ca 0.00 2.50 0.27 0.00 0.70 0.00 0.00 55.95 59.42 2aae s SER 72 Cb 0.00 -2.59 0.81 0.00 -1.71 0.00 0.00 66.02 62.53 2aae s SER 72 CO 0.00 -0.78 1.61 -0.81 1.20 0.00 0.00 173.24 174.47 2aae n PRO 73 N 4.15 0.34 0.00 5.44 -0.04 -1.26 -5.04 135.00 138.59 2aae n PRO 73 Ca 0.13 -0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2aae n PRO 73 Cb 0.40 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 2aae n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2aae n GLY 74 N 1.42 -1.00 0.29 0.55 0.00 -1.26 -4.46 105.19 100.73 2aae n GLY 74 Ca 0.09 -1.17 0.08 0.00 0.00 0.00 0.00 46.02 45.03 2aae n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aae n ALA 75 N 1.04 3.51 -2.90 4.61 0.00 -1.26 -5.00 120.51 120.51 2aae n ALA 75 Ca 0.00 -0.54 -0.32 0.00 0.00 0.00 0.00 53.44 52.58 2aae n ALA 75 Cb 0.00 -0.61 -0.05 0.00 0.00 0.00 0.00 19.45 18.79 2aae n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2aae s ASP 76 N -2.18 6.38 -0.00 0.00 1.01 -1.26 -1.00 116.67 119.61 2aae s ASP 76 Ca 0.12 0.34 -0.10 0.00 0.71 0.00 0.00 52.55 53.62 2aae s ASP 76 Cb 0.14 -1.99 0.01 0.00 1.01 0.00 0.00 42.92 42.08 2aae s ASP 76 CO 0.51 0.22 0.20 -0.13 0.21 0.00 0.00 175.17 176.18 2aae s ARG 77 N -2.16 0.54 -0.15 8.23 1.81 0.11 -2.19 118.95 125.14 2aae s ARG 77 Ca 0.31 -0.31 -0.08 0.00 -1.72 0.00 0.00 55.73 53.92 2aae s ARG 77 Cb -0.13 0.23 -0.04 0.00 -0.45 0.00 0.00 34.95 34.56 2aae s ARG 77 CO 0.22 -0.14 0.13 0.08 -0.68 0.00 0.00 175.30 174.92 2aae s VAL 78 N -1.33 5.45 -0.19 3.52 1.01 0.03 -0.34 120.40 128.54 2aae s VAL 78 Ca -0.14 0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 2aae s VAL 78 Cb -0.07 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 2aae s VAL 78 CO 0.02 0.54 -0.09 -0.69 0.00 0.00 0.00 175.10 174.89 2aae s VAL 79 N -0.42 3.10 0.21 2.92 1.01 0.14 -1.26 120.40 126.10 2aae s VAL 79 Ca 0.12 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.55 2aae s VAL 79 Cb -0.12 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 2aae s VAL 79 CO 0.01 0.47 -0.07 0.72 0.00 0.00 0.00 175.10 176.23 2aae s PHE 80 N 1.18 1.60 0.52 5.22 -0.12 0.19 -0.39 117.98 126.18 2aae s PHE 80 Ca 0.02 -0.76 0.06 0.00 -0.05 0.00 0.00 56.93 56.20 2aae s PHE 80 Cb -0.14 -0.86 0.03 0.00 -0.63 0.00 0.00 43.02 41.42 2aae s PHE 80 CO -0.03 0.14 0.41 0.54 -0.05 0.00 0.00 175.22 176.23 2aae s ASN 81 N -3.30 4.70 0.64 1.98 4.22 -0.73 -0.40 114.94 122.05 2aae s ASN 81 Ca 0.24 -1.14 0.30 0.00 -2.14 0.00 0.00 52.86 50.13 2aae s ASN 81 Cb 0.03 0.22 1.65 0.00 1.28 0.00 0.00 41.25 44.43 2aae s ASN 81 CO 0.07 -1.02 1.97 -0.08 -2.04 0.00 0.00 177.10 176.00 2aae h GLU 82 N 0.80 0.00 -0.62 3.55 4.57 -1.73 -1.42 114.58 119.73 2aae h GLU 82 Ca -0.37 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.81 2aae h GLU 82 Cb 1.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 2aae h GLU 82 CO 0.57 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 178.49 2aae n ASN 83 N -3.21 5.04 -3.61 1.04 3.02 -1.26 -4.94 115.26 111.34 2aae n ASN 83 Ca 0.01 -2.60 -0.25 0.00 -0.03 0.00 0.00 54.58 51.71 2aae n ASN 83 Cb 0.42 -0.61 0.07 0.00 -0.61 0.00 0.00 39.78 39.05 2aae n ASN 83 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2aae n ASN 84 N 0.95 -6.17 -4.65 6.41 5.15 -0.53 -5.00 115.26 111.42 2aae n ASN 84 Ca 0.26 -0.56 -0.35 0.00 -0.60 0.00 0.00 54.58 53.34 2aae n ASN 84 Cb 0.98 -4.87 -0.10 0.00 -0.53 0.00 0.00 39.78 35.27 2aae n ASN 84 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2aae s GLN 85 N -6.32 3.12 0.02 1.20 -0.21 -1.26 -4.91 119.66 111.30 2aae s GLN 85 Ca 0.58 -0.42 -0.30 0.00 0.02 0.00 0.00 55.36 55.24 2aae s GLN 85 Cb -0.26 -2.82 -0.04 0.00 1.00 0.00 0.00 33.01 30.88 2aae s GLN 85 CO 0.72 0.62 1.10 -1.17 -2.12 0.00 0.00 175.29 174.44 2aae s LEU 86 N -0.64 4.36 -0.20 2.90 2.96 -1.26 -1.78 118.68 125.01 2aae s LEU 86 Ca 0.10 1.83 -0.07 0.00 -0.22 0.00 0.00 54.13 55.78 2aae s LEU 86 Cb -0.12 -3.57 -0.20 0.00 0.50 0.00 0.00 46.19 42.80 2aae s LEU 86 CO 0.02 -0.39 0.03 0.00 -1.32 0.00 0.00 176.35 174.69 2aae n ALA 87 N 4.07 1.11 0.00 5.97 0.00 0.48 -4.85 120.51 127.29 2aae n ALA 87 Ca 0.08 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.69 2aae n ALA 87 Cb 0.48 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.59 2aae n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aae n GLY 88 N 1.91 -1.76 2.94 0.00 0.00 -1.01 -4.73 105.19 102.55 2aae n GLY 88 Ca -0.40 -1.16 -0.26 0.00 0.00 0.00 0.00 46.02 44.20 2aae n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aae s VAL 89 N -2.62 1.09 0.36 1.61 1.01 -1.26 -0.68 120.40 119.91 2aae s VAL 89 Ca 0.00 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 61.68 2aae s VAL 89 Cb 0.00 -1.08 -0.07 0.00 0.00 0.00 0.00 36.38 35.23 2aae s VAL 89 CO 0.00 0.37 0.01 0.27 0.00 0.00 0.00 175.10 175.75 2aae s ILE 90 N 1.42 1.68 0.02 2.22 -4.36 0.54 -0.60 121.20 122.12 2aae s ILE 90 Ca -0.00 -2.03 -0.16 0.00 -0.26 0.00 0.00 60.65 58.20 2aae s ILE 90 Cb -0.13 -2.83 0.03 0.00 1.25 0.00 0.00 42.46 40.77 2aae s ILE 90 CO -0.05 -0.05 0.36 0.28 0.24 0.00 0.00 174.94 175.71 2aae s THR 91 N -2.95 0.06 -0.69 8.37 -1.32 -0.39 0.08 115.64 118.79 2aae s THR 91 Ca 0.35 -0.51 0.24 0.00 -1.21 0.00 0.00 61.69 60.56 2aae s THR 91 Cb 0.08 -0.84 0.04 0.00 -1.51 0.00 0.00 72.50 70.27 2aae s THR 91 CO 0.16 -0.28 1.33 1.41 -2.21 0.00 0.00 174.62 175.03 2aae n HIS 92 N 0.81 0.45 -1.68 9.09 8.25 -0.17 -1.11 115.22 130.86 2aae n HIS 92 Ca -0.20 0.13 -0.46 0.00 -0.26 0.00 0.00 57.72 56.94 2aae n HIS 92 Cb 0.58 -0.59 -0.04 0.00 1.12 0.00 0.00 29.99 31.06 2aae n HIS 92 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2aae n THR 93 N -2.01 0.22 -1.04 1.59 -1.04 -1.26 -1.46 114.28 109.28 2aae n THR 93 Ca 0.04 -0.04 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 2aae n THR 93 Cb 0.42 -1.77 -0.01 0.00 -1.82 0.00 0.00 70.33 67.16 2aae n THR 93 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2aae n GLY 94 N 3.87 0.52 3.15 3.41 0.00 -1.26 -4.80 105.19 110.08 2aae n GLY 94 Ca 0.19 -0.56 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 2aae n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aae s ALA 95 N -2.00 1.33 0.50 4.61 0.00 -0.54 -5.00 121.76 120.66 2aae s ALA 95 Ca 0.00 -0.77 -0.19 0.00 0.00 0.00 0.00 51.96 51.01 2aae s ALA 95 Cb 0.00 -0.29 -0.08 0.00 0.00 0.00 0.00 23.12 22.75 2aae s ALA 95 CO 0.00 0.30 1.00 -1.54 0.00 0.00 0.00 175.76 175.53 2aae s SER 96 N -0.68 6.48 0.00 0.00 1.04 -1.26 -4.78 113.70 114.50 2aae s SER 96 Ca 0.05 1.75 0.00 0.00 0.48 0.00 0.00 55.95 58.23 2aae s SER 96 Cb -0.07 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.52 2aae s SER 96 CO 0.00 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.15 2aae n GLY 97 N -0.83 1.34 1.24 7.32 0.00 -1.26 -1.07 105.19 111.93 2aae n GLY 97 Ca 0.08 0.38 0.07 0.00 0.00 0.00 0.00 46.02 46.56 2aae n GLY 97 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2aae n ASN 98 N 2.53 3.62 -4.84 1.61 0.23 -1.26 -4.93 115.26 112.22 2aae n ASN 98 Ca 0.00 -2.28 -0.30 0.00 -0.53 0.00 0.00 54.58 51.47 2aae n ASN 98 Cb 0.00 -0.48 0.06 0.00 -2.08 0.00 0.00 39.78 37.28 2aae n ASN 98 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 2aae s ASN 99 N -0.84 5.25 0.13 0.53 -0.87 -0.23 -5.05 114.94 113.86 2aae s ASN 99 Ca 0.39 1.34 0.05 0.00 -1.57 0.00 0.00 52.86 53.07 2aae s ASN 99 Cb 0.24 -2.18 -0.04 0.00 -0.02 0.00 0.00 41.25 39.26 2aae s ASN 99 CO 0.20 -1.49 -0.13 -0.36 -2.57 0.00 0.00 177.10 172.76 2aae s PHE 100 N -3.20 1.33 0.09 2.20 0.08 -1.26 -4.57 117.98 112.65 2aae s PHE 100 Ca 0.58 -0.61 0.04 0.00 0.12 0.00 0.00 56.93 57.06 2aae s PHE 100 Cb -0.13 -0.69 -0.03 0.00 -0.57 0.00 0.00 43.02 41.60 2aae s PHE 100 CO 0.54 0.12 -0.11 0.14 -0.10 0.00 0.00 175.22 175.80 2aae s VAL 101 N -2.48 0.98 0.30 -0.44 -7.23 -0.27 -4.97 120.40 106.29 2aae s VAL 101 Ca 0.11 -1.52 -0.16 0.00 -1.81 0.00 0.00 61.98 58.60 2aae s VAL 101 Cb -0.03 -1.24 -0.09 0.00 0.56 0.00 0.00 36.38 35.59 2aae s VAL 101 CO 0.02 -0.45 0.73 -1.61 -0.31 0.00 0.00 175.10 173.48 2aae s GLU 102 N -2.42 4.05 0.43 4.82 2.02 -1.26 -1.26 118.70 125.07 2aae s GLU 102 Ca 0.03 0.70 -0.22 0.00 0.02 0.00 0.00 54.97 55.49 2aae s GLU 102 Cb -0.05 -2.52 -0.09 0.00 0.10 0.00 0.00 34.13 31.57 2aae s GLU 102 CO 0.01 0.20 1.02 0.00 0.02 0.00 0.00 175.26 176.52