#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ret h VAL 31 N 0.00 1.23 -0.53 1.08 3.04 -2.05 -1.19 116.25 117.83 2ret h VAL 31 Ca 0.00 -0.75 -0.08 0.00 -1.01 0.00 0.00 66.70 64.86 2ret h VAL 31 Cb 0.00 0.49 -0.02 0.00 -2.01 0.00 0.00 31.29 29.75 2ret h VAL 31 CO 0.00 0.30 0.02 1.23 -1.01 0.00 0.00 177.57 178.10 2ret h GLY 32 N 1.02 0.95 0.96 3.17 0.00 -2.06 0.79 103.07 107.91 2ret h GLY 32 Ca 0.21 -0.64 -0.09 0.00 0.00 0.00 0.00 47.33 46.82 2ret h GLY 32 CO -0.02 0.59 -0.10 -1.82 0.00 0.00 0.00 176.54 175.20 2ret h TYR 33 N 0.82 0.83 -0.45 5.60 3.20 -1.96 -2.75 116.97 122.26 2ret h TYR 33 Ca 0.16 -0.18 -0.07 0.00 3.14 0.00 0.00 58.73 61.78 2ret h TYR 33 Cb 0.46 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 2ret h TYR 33 CO 0.03 0.88 -0.01 -0.07 -1.64 0.00 0.00 178.16 177.34 2ret h LEU 34 N 0.54 0.72 0.03 2.82 3.38 -0.86 -2.03 115.31 119.91 2ret h LEU 34 Ca 0.10 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2ret h LEU 34 Cb 0.61 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2ret h LEU 34 CO 0.04 0.80 -0.13 -0.33 0.09 0.00 0.00 178.44 178.90 2ret h GLU 35 N 0.70 -0.23 -0.96 1.13 5.08 -0.90 -3.02 114.58 116.38 2ret h GLU 35 Ca 0.14 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.60 2ret h GLU 35 Cb 0.45 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.68 2ret h GLU 35 CO 0.02 -0.15 0.60 1.96 -1.00 0.00 0.00 179.01 180.44 2ret h GLN 36 N -0.24 1.02 -0.14 2.33 1.08 -1.16 -0.35 115.11 117.65 2ret h GLN 36 Ca 0.04 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2ret h GLN 36 Cb 0.28 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 2ret h GLN 36 CO -0.11 0.67 0.00 1.17 -0.95 0.00 0.00 178.83 179.62 2ret n LYS 37 N -4.58 0.26 0.00 1.46 4.81 -0.79 -1.71 118.16 117.61 2ret n LYS 37 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 2ret n LYS 37 Cb 0.24 -1.07 0.00 0.00 0.02 0.00 0.00 35.03 34.22 2ret n LYS 37 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2ret n PHE 39 N -0.03 0.00 -0.05 5.64 3.72 -0.14 -1.72 117.46 124.88 2ret n PHE 39 Ca 0.00 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.38 2ret n PHE 39 Cb 0.04 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 38.80 2ret n PHE 39 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2ret h ALA 40 N 0.00 1.22 0.00 4.37 0.00 -1.56 -2.71 119.26 120.58 2ret h ALA 40 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2ret h ALA 40 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2ret h ALA 40 CO 0.00 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.76 2ret n ALA 41 N -2.48 1.86 0.00 0.00 0.00 -0.70 -1.13 120.51 118.06 2ret n ALA 41 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2ret n ALA 41 Cb 0.29 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.72 2ret n ALA 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2ret n VAL 43 N 0.85 0.00 -0.02 0.00 0.31 -1.02 -1.50 118.33 116.94 2ret n VAL 43 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 2ret n VAL 43 Cb 0.17 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.08 2ret n VAL 43 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ret h ALA 44 N 0.00 -0.00 -0.53 3.52 0.00 -1.42 -1.42 119.26 119.40 2ret h ALA 44 Ca 0.00 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2ret h ALA 44 Cb 0.00 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2ret h ALA 44 CO 0.00 -0.57 0.28 -0.44 0.00 0.00 0.00 179.25 178.52 2ret h ASP 45 N -0.14 0.41 -0.83 0.00 3.32 -1.54 -3.07 116.42 114.57 2ret h ASP 45 Ca 0.11 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 2ret h ASP 45 Cb 0.29 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.75 2ret h ASP 45 CO -0.26 0.28 0.41 0.78 -1.72 0.00 0.00 179.24 178.73 2ret h ASN 46 N 0.54 1.08 0.00 6.45 2.35 -1.80 -2.27 115.58 121.93 2ret h ASN 46 Ca 0.23 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 2ret h ASN 46 Cb 0.13 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.22 2ret h ASN 46 CO -0.16 0.91 0.00 0.00 -1.65 0.00 0.00 177.43 176.53 2ret n GLN 47 N -4.34 0.69 -0.92 0.81 1.13 -0.55 -4.81 117.38 109.39 2ret n GLN 47 Ca 0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.14 2ret n GLN 47 Cb 0.13 -1.16 0.00 0.00 0.11 0.00 0.00 30.24 29.33 2ret n GLN 47 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2ret n ALA 49 N 0.95 -0.10 -0.60 -1.58 0.00 -0.86 -5.04 120.51 113.28 2ret n ALA 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ret n ALA 49 Cb 0.34 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.58 2ret n ALA 49 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2ret n VAL 51 N -0.91 0.00 0.00 0.00 0.31 -1.26 -4.80 118.33 111.68 2ret n VAL 51 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2ret n VAL 51 Cb 0.05 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 2ret n VAL 51 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2ret n LEU 53 N -0.55 0.00 -3.16 7.52 4.77 -1.26 -2.42 117.00 121.90 2ret n LEU 53 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 2ret n LEU 53 Cb 0.04 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.08 2ret n LEU 53 CO 0.00 0.00 -0.09 0.21 -1.33 0.00 0.00 177.39 176.18 2ret s ASN 54 N 0.00 0.14 0.00 -1.43 3.84 -1.26 -5.02 114.94 111.21 2ret s ASN 54 Ca 0.00 -1.98 0.28 0.00 0.21 0.00 0.00 52.86 51.37 2ret s ASN 54 Cb 0.00 0.84 1.05 0.00 -0.55 0.00 0.00 41.25 42.60 2ret s ASN 54 CO 0.00 -0.16 1.77 -0.81 -2.79 0.00 0.00 177.10 175.11 2ret n PRO 55 N 3.45 0.38 -1.21 0.43 -0.04 -1.01 -4.55 135.00 132.45 2ret n PRO 55 Ca 0.19 -0.13 -0.21 0.00 -0.04 0.00 0.00 63.50 63.31 2ret n PRO 55 Cb 0.50 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.35 2ret n PRO 55 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2ret n LYS 56 N -1.20 2.48 0.00 0.54 4.01 -1.26 -4.80 118.16 117.94 2ret n LYS 56 Ca 0.11 -1.60 0.00 0.00 -0.51 0.00 0.00 58.31 56.31 2ret n LYS 56 Cb 0.31 -2.18 0.00 0.00 -0.51 0.00 0.00 35.03 32.64 2ret n LYS 56 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 2ret n LEU 58 N 2.27 0.00 -3.96 -0.35 -0.00 -1.26 -5.21 117.00 108.49 2ret n LEU 58 Ca 0.51 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 56.43 2ret n LEU 58 Cb 0.70 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 44.03 2ret n LEU 58 CO 0.30 0.00 -0.24 -1.59 -0.00 0.00 0.00 177.39 175.87 2ret s LYS 59 N -2.03 0.64 0.16 1.96 -2.85 -1.26 -4.96 119.74 111.39 2ret s LYS 59 Ca 0.00 -0.93 -0.31 0.00 -1.00 0.00 0.00 55.97 53.73 2ret s LYS 59 Cb 0.00 0.24 -0.11 0.00 -2.06 0.00 0.00 37.83 35.91 2ret s LYS 59 CO 0.00 -0.16 1.77 0.00 0.10 0.00 0.00 175.35 177.06 2ret s ALA 60 N -3.22 3.84 0.28 0.59 0.00 -1.26 -4.74 121.76 117.25 2ret s ALA 60 Ca 0.00 1.50 -0.11 0.00 0.00 0.00 0.00 51.96 53.35 2ret s ALA 60 Cb 0.02 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.42 2ret s ALA 60 CO -0.07 -1.08 0.52 -1.54 0.00 0.00 0.00 175.76 173.59 2ret s SER 61 N 2.01 0.11 0.21 0.00 1.04 -0.69 -5.00 113.70 111.38 2ret s SER 61 Ca 0.78 -1.05 -0.23 0.00 0.48 0.00 0.00 55.95 55.93 2ret s SER 61 Cb -0.47 0.64 0.04 0.00 0.10 0.00 0.00 66.02 66.33 2ret s SER 61 CO 0.34 -1.24 0.78 0.54 0.98 0.00 0.00 173.24 174.64 2ret s ASN 62 N -3.06 -0.29 0.00 7.02 2.20 -1.26 -0.41 114.94 119.14 2ret s ASN 62 Ca 0.23 -0.43 -0.02 0.00 -0.94 0.00 0.00 52.86 51.70 2ret s ASN 62 Cb -0.01 0.62 0.01 0.00 -2.00 0.00 0.00 41.25 39.87 2ret s ASN 62 CO 0.11 -1.13 0.08 0.61 -2.94 0.00 0.00 177.10 173.84 2ret n GLY 63 N -0.44 0.69 2.95 0.45 0.00 -0.88 -5.00 105.19 102.96 2ret n GLY 63 Ca -0.07 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 44.87 2ret n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ret s GLU 64 N -2.00 1.25 -0.08 1.61 2.02 -1.26 -1.23 118.70 119.02 2ret s GLU 64 Ca 0.02 -0.25 0.04 0.00 0.02 0.00 0.00 54.97 54.80 2ret s GLU 64 Cb -0.00 -1.12 -0.00 0.00 0.10 0.00 0.00 34.13 33.11 2ret s GLU 64 CO 0.00 -0.03 -0.22 -2.00 0.02 0.00 0.00 175.26 173.02 2ret s GLU 65 N 0.81 2.68 -0.18 1.61 2.12 -0.10 -4.94 118.70 120.70 2ret s GLU 65 Ca -0.12 -0.81 -0.21 0.00 0.36 0.00 0.00 54.97 54.18 2ret s GLU 65 Cb -0.15 -2.11 -0.03 0.00 0.26 0.00 0.00 34.13 32.11 2ret s GLU 65 CO 0.02 0.21 0.64 -2.00 -0.54 0.00 0.00 175.26 173.59 2ret s GLU 66 N 0.24 4.24 -0.15 4.30 2.56 -1.26 -0.13 118.70 128.50 2ret s GLU 66 Ca -0.14 0.65 -0.10 0.00 0.00 0.00 0.00 54.97 55.38 2ret s GLU 66 Cb -0.16 -3.56 0.05 0.00 2.00 0.00 0.00 34.13 32.46 2ret s GLU 66 CO 0.07 -0.20 0.37 -1.17 -0.56 0.00 0.00 175.26 173.77 2ret s LEU 67 N 1.78 0.20 -1.42 2.70 0.20 -0.15 -4.90 118.68 117.09 2ret s LEU 67 Ca 0.30 0.79 -0.09 0.00 0.69 0.00 0.00 54.13 55.82 2ret s LEU 67 Cb -0.16 1.23 0.05 0.00 -0.43 0.00 0.00 46.19 46.89 2ret s LEU 67 CO 0.11 -0.17 0.63 0.00 -0.29 0.00 0.00 176.35 176.63 2ret n ALA 68 N 3.82 -1.08 -1.00 5.97 0.00 -1.26 -1.67 120.51 125.29 2ret n ALA 68 Ca -0.20 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2ret n ALA 68 Cb 0.56 -3.51 0.00 0.00 0.00 0.00 0.00 19.45 16.50 2ret n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ret n GLY 69 N -1.40 0.48 3.22 0.00 0.00 -1.26 -5.03 105.19 101.20 2ret n GLY 69 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 2ret n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ret s GLN 70 N -0.15 1.21 -0.16 1.61 0.74 -0.67 -5.11 119.66 117.13 2ret s GLN 70 Ca 0.00 -0.91 -0.21 0.00 0.05 0.00 0.00 55.36 54.28 2ret s GLN 70 Cb 0.00 -1.31 -0.03 0.00 1.10 0.00 0.00 33.01 32.77 2ret s GLN 70 CO 0.00 0.33 0.65 0.99 -0.55 0.00 0.00 175.29 176.70 2ret s THR 71 N -0.86 5.03 -0.09 -0.34 2.01 -1.26 -0.98 115.64 119.15 2ret s THR 71 Ca 0.05 1.26 -0.00 0.00 0.31 0.00 0.00 61.69 63.31 2ret s THR 71 Cb -0.09 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.43 2ret s THR 71 CO 0.02 0.16 -0.06 0.26 -0.69 0.00 0.00 174.62 174.30 2ret s TRP 72 N 1.56 2.95 -0.40 4.92 0.52 0.82 -4.84 118.94 124.48 2ret s TRP 72 Ca 0.31 -0.06 -0.07 0.00 0.02 0.00 0.00 56.10 56.30 2ret s TRP 72 Cb -0.16 -1.76 0.08 0.00 -1.15 0.00 0.00 33.47 30.47 2ret s TRP 72 CO 0.12 0.24 0.20 0.71 0.02 0.00 0.00 176.95 178.25 2ret s TYR 73 N -0.55 3.38 0.22 -1.98 2.02 -0.47 -0.92 117.35 119.06 2ret s TYR 73 Ca 0.08 -1.78 0.05 0.00 -0.37 0.00 0.00 57.07 55.05 2ret s TYR 73 Cb -0.12 -2.87 -0.03 0.00 -0.40 0.00 0.00 41.96 38.54 2ret s TYR 73 CO 0.02 -0.87 0.29 1.67 -1.57 0.00 0.00 175.55 175.10 2ret s TRP 74 N 1.33 3.36 -0.14 2.71 1.48 -0.36 -1.33 118.94 125.99 2ret s TRP 74 Ca 0.03 -0.02 -0.06 0.00 -1.06 0.00 0.00 56.10 54.99 2ret s TRP 74 Cb -0.22 -1.54 0.07 0.00 -1.16 0.00 0.00 33.47 30.61 2ret s TRP 74 CO 0.00 0.48 0.31 0.21 -4.06 0.00 0.00 176.95 173.89 2ret s LYS 75 N -3.77 0.23 -0.22 3.25 2.20 0.22 -2.07 119.74 119.59 2ret s LYS 75 Ca 0.34 0.77 -0.09 0.00 -0.36 0.00 0.00 55.97 56.63 2ret s LYS 75 Cb -0.09 0.02 -0.04 0.00 -1.51 0.00 0.00 37.83 36.21 2ret s LYS 75 CO 0.28 -0.23 0.10 0.08 -0.36 0.00 0.00 175.35 175.22 2ret s VAL 76 N 2.06 4.88 -0.15 4.02 1.01 0.46 -0.86 120.40 131.82 2ret s VAL 76 Ca -0.03 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 2ret s VAL 76 Cb -0.11 -3.26 0.04 0.00 0.00 0.00 0.00 36.38 33.05 2ret s VAL 76 CO -0.10 0.38 -0.04 0.00 0.00 0.00 0.00 175.10 175.34 2ret s ALA 77 N 1.01 1.29 0.51 5.51 0.00 -0.38 -1.70 121.76 127.99 2ret s ALA 77 Ca 0.05 -0.68 -0.22 0.00 0.00 0.00 0.00 51.96 51.12 2ret s ALA 77 Cb -0.14 -1.05 -0.07 0.00 0.00 0.00 0.00 23.12 21.86 2ret s ALA 77 CO 0.03 -0.74 1.05 -2.30 0.00 0.00 0.00 175.76 173.81 2ret n PRO 78 N 4.94 1.26 -4.72 0.00 -0.02 -1.26 -0.65 135.00 134.55 2ret n PRO 78 Ca -0.11 0.46 -0.27 0.00 -2.02 0.00 0.00 63.50 61.56 2ret n PRO 78 Cb 0.48 -2.19 -0.17 0.00 -0.02 0.00 0.00 33.50 31.61 2ret n PRO 78 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2ret s VAL 79 N -1.38 1.44 0.55 -1.45 1.01 -0.29 -4.83 120.40 115.46 2ret s VAL 79 Ca 0.69 -0.65 -0.21 0.00 0.00 0.00 0.00 61.98 61.82 2ret s VAL 79 Cb -0.47 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 2ret s VAL 79 CO 0.52 0.42 1.25 0.00 0.00 0.00 0.00 175.10 177.30 2ret s ALA 80 N 0.65 2.71 0.00 5.51 0.00 -1.26 -3.82 121.76 125.55 2ret s ALA 80 Ca -0.14 1.11 0.00 0.00 0.00 0.00 0.00 51.96 52.93 2ret s ALA 80 Cb -0.16 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.48 2ret s ALA 80 CO 0.04 -1.14 0.00 -2.37 0.00 0.00 0.00 175.76 172.29 2ret n THR 81 N -1.20 0.00 -0.17 0.00 5.66 -1.26 -4.94 114.28 112.37 2ret n THR 81 Ca 0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 2ret n THR 81 Cb 0.48 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 2ret n THR 81 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2ret n GLN 83 N 0.00 0.00 0.00 1.09 10.64 -1.26 -4.94 117.38 122.91 2ret n GLN 83 Ca 0.00 0.00 0.13 0.00 -1.83 0.00 0.00 57.00 55.30 2ret n GLN 83 Cb 0.00 -0.16 0.38 0.00 -0.86 0.00 0.00 30.24 29.60 2ret n GLN 83 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 2ret n PRO 84 N -0.92 0.79 0.00 2.61 -0.04 -1.26 -4.49 135.00 131.70 2ret n PRO 84 Ca 0.00 -0.46 -0.20 0.00 -0.04 0.00 0.00 63.50 62.80 2ret n PRO 84 Cb 0.00 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 31.83 2ret n PRO 84 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2ret n LEU 85 N -0.70 2.40 -4.48 1.53 4.77 -1.26 -4.72 117.00 114.53 2ret n LEU 85 Ca 0.12 0.24 -0.32 0.00 -0.03 0.00 0.00 56.01 56.02 2ret n LEU 85 Cb 0.34 -0.95 -0.13 0.00 -2.33 0.00 0.00 43.42 40.36 2ret n LEU 85 CO 0.26 0.79 -0.46 -0.76 -1.33 0.00 0.00 177.39 175.90 2ret s LEU 86 N -6.92 2.74 0.06 2.23 1.43 -1.26 -0.11 118.68 116.85 2ret s LEU 86 Ca -0.20 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 2ret s LEU 86 Cb 0.07 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 2ret s LEU 86 CO 0.78 0.31 0.20 -0.54 0.23 0.00 0.00 176.35 177.32 2ret s LYS 87 N -1.04 3.38 0.07 1.70 1.02 0.15 -4.82 119.74 120.20 2ret s LYS 87 Ca 0.13 -0.46 0.07 0.00 0.02 0.00 0.00 55.97 55.74 2ret s LYS 87 Cb -0.11 -3.01 -0.03 0.00 -0.52 0.00 0.00 37.83 34.16 2ret s LYS 87 CO 0.03 0.61 -0.20 0.00 -0.92 0.00 0.00 175.35 174.87 2ret s ALA 88 N -1.49 1.69 0.00 5.17 0.00 -1.25 -0.20 121.76 125.68 2ret s ALA 88 Ca 0.34 -1.10 -0.04 0.00 0.00 0.00 0.00 51.96 51.17 2ret s ALA 88 Cb -0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 2ret s ALA 88 CO 0.27 0.35 0.06 -0.59 0.00 0.00 0.00 175.76 175.85 2ret s PHE 89 N -0.96 0.11 -0.12 0.00 -0.71 -0.52 -1.14 117.98 114.64 2ret s PHE 89 Ca 0.06 -0.24 -0.04 0.00 -1.04 0.00 0.00 56.93 55.67 2ret s PHE 89 Cb -0.09 -0.09 -0.04 0.00 -1.21 0.00 0.00 43.02 41.59 2ret s PHE 89 CO 0.03 -0.21 0.03 -0.51 -1.34 0.00 0.00 175.22 173.22 2ret s ASP 90 N -1.18 5.46 -0.20 1.98 1.01 0.18 -1.12 116.67 122.80 2ret s ASP 90 Ca -0.13 0.15 -0.04 0.00 0.71 0.00 0.00 52.55 53.24 2ret s ASP 90 Cb -0.07 -1.73 -0.01 0.00 1.01 0.00 0.00 42.92 42.11 2ret s ASP 90 CO 0.00 0.31 -0.05 -0.69 0.21 0.00 0.00 175.17 174.95 2ret s VAL 91 N -0.44 3.50 0.02 -1.27 1.01 0.11 -1.25 120.40 122.09 2ret s VAL 91 Ca 0.09 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.67 2ret s VAL 91 Cb -0.12 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 2ret s VAL 91 CO 0.02 0.45 -0.20 -0.94 0.00 0.00 0.00 175.10 174.43 2ret s SER 92 N 1.08 2.32 -0.05 3.32 1.04 -0.04 -0.82 113.70 120.55 2ret s SER 92 Ca 0.01 -0.46 0.02 0.00 0.48 0.00 0.00 55.95 56.00 2ret s SER 92 Cb -0.15 -0.21 0.02 0.00 0.10 0.00 0.00 66.02 65.78 2ret s SER 92 CO -0.00 0.17 -0.09 -0.69 0.98 0.00 0.00 173.24 173.61 2ret s VAL 93 N -0.69 0.85 0.21 5.02 1.01 -0.79 -0.61 120.40 125.40 2ret s VAL 93 Ca 0.07 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.75 2ret s VAL 93 Cb -0.08 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 2ret s VAL 93 CO 0.01 0.29 0.02 0.00 0.00 0.00 0.00 175.10 175.42 2ret s ALA 94 N 0.72 1.56 -0.74 5.51 0.00 -0.44 -0.60 121.76 127.78 2ret s ALA 94 Ca -0.13 -1.70 0.25 0.00 0.00 0.00 0.00 51.96 50.38 2ret s ALA 94 Cb -0.15 0.64 0.49 0.00 0.00 0.00 0.00 23.12 24.10 2ret s ALA 94 CO 0.02 -0.33 1.43 0.00 0.00 0.00 0.00 175.76 176.88 2ret n ALA 95 N -0.34 2.91 -3.13 0.00 0.00 -1.26 -1.36 120.51 117.32 2ret n ALA 95 Ca -0.05 -0.23 -0.11 0.00 0.00 0.00 0.00 53.44 53.05 2ret n ALA 95 Cb 0.64 -1.22 -0.04 0.00 0.00 0.00 0.00 19.45 18.83 2ret n ALA 95 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2ret s THR 96 N -3.12 0.00 -0.40 0.00 -4.23 -1.26 -4.84 115.64 101.79 2ret s THR 96 Ca 0.08 -1.44 0.26 0.00 -1.18 0.00 0.00 61.69 59.41 2ret s THR 96 Cb 0.14 -2.48 0.33 0.00 1.34 0.00 0.00 72.50 71.84 2ret s THR 96 CO 0.69 0.00 1.72 0.71 -0.54 0.00 0.00 174.62 177.20 2ret h THR 97 N 2.17 0.00 0.00 3.99 1.35 -1.93 -3.21 112.91 115.27 2ret h THR 97 Ca -0.28 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 2ret h THR 97 Cb 1.25 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 2ret h THR 97 CO 0.38 0.00 -1.09 0.00 -0.25 0.00 0.00 175.52 174.55 2ret n GLN 98 N -2.89 0.30 -3.20 4.72 6.02 -1.26 -5.01 117.38 116.07 2ret n GLN 98 Ca 0.04 -0.01 -0.28 0.00 -0.01 0.00 0.00 57.00 56.73 2ret n GLN 98 Cb 0.45 -1.59 -0.03 0.00 1.02 0.00 0.00 30.24 30.09 2ret n GLN 98 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ret s ALA 99 N -3.21 3.56 0.56 -1.58 0.00 -1.22 -5.06 121.76 114.82 2ret s ALA 99 Ca 0.03 -0.51 -0.20 0.00 0.00 0.00 0.00 51.96 51.28 2ret s ALA 99 Cb 0.14 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.84 2ret s ALA 99 CO 0.81 0.14 1.23 -1.12 0.00 0.00 0.00 175.76 176.82 2ret s SER 100 N -3.28 5.35 0.37 0.00 0.01 -1.26 -4.86 113.70 110.03 2ret s SER 100 Ca 0.45 2.44 -0.26 0.00 1.31 0.00 0.00 55.95 59.89 2ret s SER 100 Cb -0.10 -2.61 -0.09 0.00 0.21 0.00 0.00 66.02 63.43 2ret s SER 100 CO 0.31 -1.49 1.17 -2.16 0.41 0.00 0.00 173.24 171.49 2ret s PRO 101 N -3.16 4.20 0.16 12.44 0.04 -1.26 -4.61 135.00 142.81 2ret s PRO 101 Ca 0.74 1.88 -0.07 0.00 0.04 0.00 0.00 61.00 63.59 2ret s PRO 101 Cb -0.32 -2.82 0.03 0.00 0.04 0.00 0.00 34.50 31.43 2ret s PRO 101 CO 0.36 -0.20 1.47 0.82 0.04 0.00 0.00 177.00 179.49 2ret h ILE 102 N 2.56 1.30 -3.54 0.56 1.08 -1.23 -3.46 117.51 114.77 2ret h ILE 102 Ca -0.48 -1.73 -0.20 0.00 -0.39 0.00 0.00 64.86 62.06 2ret h ILE 102 Cb 1.23 1.65 -0.26 0.00 -3.07 0.00 0.00 36.82 36.37 2ret h ILE 102 CO 0.64 0.55 -0.61 -0.51 -0.69 0.00 0.00 178.15 177.53 2ret s ILE 103 N -4.11 0.01 -0.07 -0.67 1.10 -1.18 -5.04 121.20 111.24 2ret s ILE 103 Ca -0.09 -0.11 0.01 0.00 -0.51 0.00 0.00 60.65 59.95 2ret s ILE 103 Cb 0.11 -0.16 0.02 0.00 0.15 0.00 0.00 42.46 42.58 2ret s ILE 103 CO 0.86 -0.06 -0.07 -0.89 -2.11 0.00 0.00 174.94 172.67 2ret s THR 104 N -0.16 0.82 -0.07 4.00 2.01 -1.26 -1.88 115.64 119.10 2ret s THR 104 Ca -0.02 -0.23 0.05 0.00 0.31 0.00 0.00 61.69 61.79 2ret s THR 104 Cb -0.02 -0.83 -0.01 0.00 0.01 0.00 0.00 72.50 71.65 2ret s THR 104 CO 0.00 0.31 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.32 2ret s VAL 105 N 1.24 2.22 -0.11 3.82 1.01 -0.00 -4.96 120.40 123.62 2ret s VAL 105 Ca -0.05 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 60.90 2ret s VAL 105 Cb -0.14 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 2ret s VAL 105 CO -0.02 0.56 0.03 -0.60 0.00 0.00 0.00 175.10 175.07 2ret s ARG 106 N -0.03 3.23 0.07 2.72 3.52 -1.26 0.09 118.95 127.30 2ret s ARG 106 Ca -0.07 -0.37 0.01 0.00 -0.13 0.00 0.00 55.73 55.18 2ret s ARG 106 Cb -0.15 -2.92 -0.04 0.00 -1.56 0.00 0.00 34.95 30.29 2ret s ARG 106 CO 0.05 0.62 -0.06 -1.12 -0.81 0.00 0.00 175.30 173.98 2ret s SER 107 N -0.65 0.91 0.02 -2.12 0.01 -0.27 -4.99 113.70 106.62 2ret s SER 107 Ca 0.11 -0.88 0.08 0.00 1.31 0.00 0.00 55.95 56.56 2ret s SER 107 Cb -0.12 0.10 -0.02 0.00 0.21 0.00 0.00 66.02 66.19 2ret s SER 107 CO 0.02 -0.43 -0.22 -0.31 0.41 0.00 0.00 173.24 172.71 2ret s TYR 108 N -3.09 1.97 0.00 2.43 2.02 -1.26 -1.44 117.35 117.98 2ret s TYR 108 Ca 0.05 -0.38 0.05 0.00 -0.37 0.00 0.00 57.07 56.42 2ret s TYR 108 Cb 0.02 -1.21 -0.01 0.00 -0.40 0.00 0.00 41.96 40.36 2ret s TYR 108 CO -0.04 0.06 -0.16 0.08 -1.57 0.00 0.00 175.55 173.92 2ret s VAL 109 N -0.71 1.23 0.14 0.71 1.01 0.71 -4.96 120.40 118.54 2ret s VAL 109 Ca 0.09 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 61.01 2ret s VAL 109 Cb -0.09 -1.04 -0.08 0.00 0.00 0.00 0.00 36.38 35.17 2ret s VAL 109 CO 0.01 0.28 1.27 0.00 0.00 0.00 0.00 175.10 176.66 2ret s ALA 110 N -0.47 3.49 -2.05 5.51 0.00 -1.26 0.32 121.76 127.30 2ret s ALA 110 Ca 0.05 1.01 0.32 0.00 0.00 0.00 0.00 51.96 53.34 2ret s ALA 110 Cb -0.06 -3.47 1.82 0.00 0.00 0.00 0.00 23.12 21.41 2ret s ALA 110 CO -0.00 -0.49 2.18 0.43 0.00 0.00 0.00 175.76 177.88