#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2mob n ASN 36 N 0.00 3.37 -4.07 6.43 3.02 -1.26 -5.03 115.26 117.72 2mob n ASN 36 Ca 0.00 -0.03 -0.42 0.00 -0.03 0.00 0.00 54.58 54.10 2mob n ASN 36 Cb 0.00 0.17 -0.01 0.00 -0.61 0.00 0.00 39.78 39.32 2mob n ASN 36 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2mob n ALA 37 N -2.55 -2.83 -4.20 5.41 0.00 -1.26 -4.58 120.51 110.50 2mob n ALA 37 Ca -0.13 0.25 -0.15 0.00 0.00 0.00 0.00 53.44 53.41 2mob n ALA 37 Cb 0.68 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 2mob n ALA 37 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2mob n VAL 38 N -0.49 0.00 -3.70 0.00 0.24 -0.81 -4.98 118.33 108.58 2mob n VAL 38 Ca 0.14 -1.18 -0.12 0.00 -2.04 0.00 0.00 64.34 61.14 2mob n VAL 38 Cb 0.31 0.32 -0.12 0.00 -1.47 0.00 0.00 33.84 32.87 2mob n VAL 38 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2mob s VAL 39 N -2.07 -0.14 -0.13 3.34 0.11 -1.26 -1.85 120.40 118.40 2mob s VAL 39 Ca 0.04 0.16 -0.21 0.00 -2.93 0.00 0.00 61.98 59.04 2mob s VAL 39 Cb 0.00 -0.47 -0.03 0.00 -1.53 0.00 0.00 36.38 34.34 2mob s VAL 39 CO 0.03 0.07 0.61 -0.22 -3.33 0.00 0.00 175.10 172.26 2mob s LEU 40 N 1.60 4.25 -0.19 2.54 0.20 0.33 -4.57 118.68 122.83 2mob s LEU 40 Ca -0.07 0.96 0.01 0.00 0.69 0.00 0.00 54.13 55.72 2mob s LEU 40 Cb -0.10 -2.90 0.03 0.00 -0.43 0.00 0.00 46.19 42.79 2mob s LEU 40 CO -0.10 -0.14 -0.16 -0.69 -0.29 0.00 0.00 176.35 174.98 2mob s VAL 41 N 1.13 1.94 0.27 1.68 1.01 -1.26 1.00 120.40 126.16 2mob s VAL 41 Ca 0.31 -1.05 0.12 0.00 0.00 0.00 0.00 61.98 61.36 2mob s VAL 41 Cb -0.16 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 2mob s VAL 41 CO 0.13 0.35 -0.19 -0.76 0.00 0.00 0.00 175.10 174.62 2mob s LEU 42 N 1.30 2.60 -0.25 3.92 2.01 -0.90 -3.70 118.68 123.67 2mob s LEU 42 Ca 0.01 -0.99 0.04 0.00 0.01 0.00 0.00 54.13 53.20 2mob s LEU 42 Cb -0.15 -1.14 0.46 0.00 0.01 0.00 0.00 46.19 45.37 2mob s LEU 42 CO -0.10 0.05 1.51 1.15 1.01 0.00 0.00 176.35 179.96 2mob n MET 43 N -0.54 2.28 0.00 1.70 0.00 -1.26 0.09 117.12 119.40 2mob n MET 43 Ca -0.06 -1.96 0.00 0.00 0.00 0.00 0.00 57.70 55.68 2mob n MET 43 Cb 0.59 -1.82 0.00 0.00 0.00 0.00 0.00 33.22 31.99 2mob n MET 43 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2mob n LYS 44 N -0.29 0.00 -1.82 3.17 4.76 -1.21 -3.78 118.16 118.99 2mob n LYS 44 Ca 0.33 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.75 2mob n LYS 44 Cb 1.15 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 34.35 2mob n LYS 44 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2mob n SER 45 N 0.00 -2.49 0.00 4.39 3.41 -1.26 -2.91 113.62 114.76 2mob n SER 45 Ca 0.00 -0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 2mob n SER 45 Cb 0.00 -1.12 0.00 0.00 -0.26 0.00 0.00 64.21 62.83 2mob n SER 45 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2mob n ASP 46 N -1.64 0.00 0.08 4.04 9.92 -1.26 -4.75 116.55 122.94 2mob n ASP 46 Ca -0.02 0.00 0.20 0.00 -0.53 0.00 0.00 54.79 54.44 2mob n ASP 46 Cb 0.52 0.00 0.74 0.00 -0.64 0.00 0.00 41.12 41.74 2mob n ASP 46 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2mob h GLU 47 N 0.00 0.00 0.04 -1.24 5.08 -2.00 -2.88 114.58 113.58 2mob h GLU 47 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2mob h GLU 47 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2mob h GLU 47 CO 0.00 0.00 -0.02 0.82 -1.00 0.00 0.00 179.01 178.81 2mob h ILE 48 N 0.00 1.37 -1.70 3.13 5.03 -1.97 0.32 117.51 123.70 2mob h ILE 48 Ca 0.20 -1.61 0.49 0.00 -0.12 0.00 0.00 64.86 63.82 2mob h ILE 48 Cb 0.94 2.40 -0.07 0.00 -3.03 0.00 0.00 36.82 37.06 2mob h ILE 48 CO -0.00 0.39 1.23 -0.78 -0.68 0.00 0.00 178.15 178.30 2mob h ASP 49 N -0.79 0.00 0.01 1.72 3.58 -1.86 2.55 116.42 121.63 2mob h ASP 49 Ca -0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 2mob h ASP 49 Cb 0.68 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.73 2mob h ASP 49 CO 0.01 0.00 -0.01 0.00 -2.88 0.00 0.00 179.24 176.36 2mob h ALA 50 N 1.15 -0.02 -0.12 -0.78 0.00 -1.53 -2.61 119.26 115.35 2mob h ALA 50 Ca 0.81 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.44 2mob h ALA 50 Cb 3.25 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 21.04 2mob h ALA 50 CO -0.01 -0.02 -0.02 -0.84 0.00 0.00 0.00 179.25 178.36 2mob h ILE 51 N -0.99 1.27 -0.99 0.00 3.07 0.21 -0.93 117.51 119.16 2mob h ILE 51 Ca -0.00 -0.90 0.34 0.00 1.55 0.00 0.00 64.86 65.84 2mob h ILE 51 Cb 0.51 1.63 -0.16 0.00 -0.27 0.00 0.00 36.82 38.53 2mob h ILE 51 CO 0.00 0.26 0.48 0.40 -1.05 0.00 0.00 178.15 178.25 2mob h ILE 52 N -0.06 0.19 0.20 0.16 1.08 0.40 5.02 117.51 124.49 2mob h ILE 52 Ca 0.03 -0.06 -0.01 0.00 -0.39 0.00 0.00 64.86 64.43 2mob h ILE 52 Cb 0.41 -0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.15 2mob h ILE 52 CO 0.01 0.03 -0.10 -0.08 -0.69 0.00 0.00 178.15 177.33 2mob h GLU 53 N 0.19 -0.26 0.00 2.37 4.81 -0.87 2.97 114.58 123.79 2mob h GLU 53 Ca 0.74 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.99 2mob h GLU 53 Cb 1.76 0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.20 2mob h GLU 53 CO -0.69 -0.17 0.00 -3.47 -0.73 0.00 0.00 179.01 173.95 2mob n ASP 54 N -2.81 0.00 -0.07 1.04 -0.08 -0.18 -1.64 116.55 112.81 2mob n ASP 54 Ca -0.03 0.48 -0.09 0.00 -1.51 0.00 0.00 54.79 53.64 2mob n ASP 54 Cb 0.11 -0.49 -0.09 0.00 2.34 0.00 0.00 41.12 42.98 2mob n ASP 54 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2mob n ILE 55 N -1.49 0.90 -0.02 5.18 0.13 1.62 -4.64 119.36 121.04 2mob n ILE 55 Ca 0.06 -0.45 -0.03 0.00 -1.10 0.00 0.00 62.75 61.22 2mob n ILE 55 Cb 0.26 -0.85 -0.02 0.00 -0.84 0.00 0.00 39.64 38.20 2mob n ILE 55 CO 0.00 0.00 0.00 0.52 2.80 0.00 0.00 176.55 179.87 2mob n VAL 56 N -2.70 0.21 -0.31 9.51 0.31 0.81 -3.53 118.33 122.63 2mob n VAL 56 Ca -0.24 -0.07 -0.06 0.00 -0.01 0.00 0.00 64.34 63.96 2mob n VAL 56 Cb 0.86 -0.90 -0.01 0.00 -0.91 0.00 0.00 33.84 32.88 2mob n VAL 56 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2mob h LEU 57 N -0.04 -1.56 0.01 7.52 6.46 0.50 2.09 115.31 130.29 2mob h LEU 57 Ca -0.09 0.29 -0.24 0.00 -0.12 0.00 0.00 57.88 57.72 2mob h LEU 57 Cb 1.11 0.75 -0.03 0.00 -0.73 0.00 0.00 40.66 41.76 2mob h LEU 57 CO -0.03 -0.30 -1.30 0.50 -0.62 0.00 0.00 178.44 176.69 2mob h LYS 58 N -0.09 0.02 -0.56 1.25 1.63 -1.80 -3.27 116.57 113.75 2mob h LYS 58 Ca 0.25 -0.04 0.11 0.00 -0.85 0.00 0.00 60.65 60.12 2mob h LYS 58 Cb 0.55 0.01 -0.11 0.00 -0.60 0.00 0.00 32.23 32.09 2mob h LYS 58 CO -0.85 1.02 -0.13 0.78 -3.45 0.00 0.00 179.45 176.81 2mob h GLY 59 N -0.83 0.41 -1.71 5.01 0.00 -1.54 0.73 103.07 105.13 2mob h GLY 59 Ca -0.35 0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 2mob h GLY 59 CO -0.18 -0.21 0.03 0.61 0.00 0.00 0.00 176.54 176.79 2mob n GLY 60 N -1.39 1.96 0.04 4.60 0.00 0.71 -3.56 105.19 107.54 2mob n GLY 60 Ca 0.06 -0.19 0.07 0.00 0.00 0.00 0.00 46.02 45.96 2mob n GLY 60 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2mob n LYS 61 N 0.14 2.20 0.00 1.61 -0.00 0.25 -4.13 118.16 118.23 2mob n LYS 61 Ca 0.07 -0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 2mob n LYS 61 Cb 0.51 -1.19 0.00 0.00 -0.00 0.00 0.00 35.03 34.35 2mob n LYS 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2mob n ALA 62 N -1.20 0.00 0.10 0.58 0.00 -1.23 -4.69 120.51 114.06 2mob n ALA 62 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.44 2mob n ALA 62 Cb 0.23 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.85 2mob n ALA 62 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2mob h LYS 63 N 0.00 0.20 -6.21 0.00 2.10 -1.88 -3.42 116.57 107.37 2mob h LYS 63 Ca 0.00 -0.12 -0.56 0.00 -2.00 0.00 0.00 60.65 57.96 2mob h LYS 63 Cb 0.00 0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 31.31 2mob h LYS 63 CO 0.00 0.70 0.96 -0.80 -2.00 0.00 0.00 179.45 178.31 2mob s ASN 64 N -6.89 6.81 0.15 7.07 0.02 -1.26 -4.91 114.94 115.94 2mob s ASN 64 Ca -0.04 1.72 -0.14 0.00 -1.02 0.00 0.00 52.86 53.39 2mob s ASN 64 Cb 0.12 -2.54 0.03 0.00 0.02 0.00 0.00 41.25 38.89 2mob s ASN 64 CO 0.78 -0.88 1.68 1.55 0.02 0.00 0.00 177.10 180.26 2mob h PRO 65 N 8.80 0.77 0.00 -0.60 0.13 -1.82 -3.36 132.00 135.93 2mob h PRO 65 Ca -0.29 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2mob h PRO 65 Cb 1.12 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2mob h PRO 65 CO 0.98 0.72 0.00 0.45 -0.23 0.00 0.00 178.00 179.92 2mob n SER 66 N -4.50 0.00 -4.69 1.44 2.88 -1.26 -5.00 113.62 102.48 2mob n SER 66 Ca 0.02 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.21 2mob n SER 66 Cb 0.19 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.56 2mob n SER 66 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2mob s ILE 67 N 0.00 4.98 -0.33 2.46 1.09 -1.26 -4.18 121.20 123.96 2mob s ILE 67 Ca 0.00 0.03 -0.19 0.00 -1.10 0.00 0.00 60.65 59.39 2mob s ILE 67 Cb 0.00 -3.23 -0.01 0.00 -1.06 0.00 0.00 42.46 38.17 2mob s ILE 67 CO 0.00 0.49 0.57 -0.69 -0.10 0.00 0.00 174.94 175.21 2mob s VAL 68 N 0.07 4.98 -0.68 2.92 1.01 0.42 -4.85 120.40 124.27 2mob s VAL 68 Ca 0.06 0.59 -0.18 0.00 0.00 0.00 0.00 61.98 62.45 2mob s VAL 68 Cb -0.12 -3.98 0.13 0.00 0.00 0.00 0.00 36.38 32.41 2mob s VAL 68 CO 0.00 -0.18 0.77 -0.69 0.00 0.00 0.00 175.10 175.01 2mob s VAL 69 N 2.50 4.94 0.09 2.92 1.01 -1.26 0.66 120.40 131.25 2mob s VAL 69 Ca 0.22 -1.32 -0.14 0.00 0.00 0.00 0.00 61.98 60.73 2mob s VAL 69 Cb -0.15 -4.53 -0.06 0.00 0.00 0.00 0.00 36.38 31.64 2mob s VAL 69 CO 0.13 -1.17 0.49 -1.61 0.00 0.00 0.00 175.10 172.95 2mob s GLU 70 N 2.28 3.96 -0.18 2.72 0.41 0.41 -4.99 118.70 123.30 2mob s GLU 70 Ca 0.15 0.45 -0.05 0.00 -0.41 0.00 0.00 54.97 55.12 2mob s GLU 70 Cb -0.19 -3.05 0.06 0.00 -1.78 0.00 0.00 34.13 29.17 2mob s GLU 70 CO 0.01 0.57 0.09 -0.51 -0.49 0.00 0.00 175.26 174.93 2mob s ASP 71 N -1.50 2.49 0.00 -0.19 1.01 -1.26 -1.02 116.67 116.21 2mob s ASP 71 Ca 0.32 -0.69 0.00 0.00 0.71 0.00 0.00 52.55 52.89 2mob s ASP 71 Cb -0.16 -0.27 0.00 0.00 1.01 0.00 0.00 42.92 43.51 2mob s ASP 71 CO 0.18 -0.36 0.00 1.17 0.21 0.00 0.00 175.17 176.37 2mob n LYS 72 N 5.27 2.02 -1.50 8.23 4.81 -0.62 -4.98 118.16 131.38 2mob n LYS 72 Ca -0.07 0.00 -0.46 0.00 -0.87 0.00 0.00 58.31 56.91 2mob n LYS 72 Cb 0.48 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.47 2mob n LYS 72 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2mob n ALA 73 N -3.00 1.11 -4.31 3.14 0.00 -1.26 -1.83 120.51 114.36 2mob n ALA 73 Ca 0.00 -0.26 -0.35 0.00 0.00 0.00 0.00 53.44 52.83 2mob n ALA 73 Cb 0.00 -2.71 -0.06 0.00 0.00 0.00 0.00 19.45 16.68 2mob n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2mob n GLY 74 N 6.31 -0.30 2.57 0.00 0.00 -1.25 -4.89 105.19 107.64 2mob n GLY 74 Ca 0.40 0.13 -0.22 0.00 0.00 0.00 0.00 46.02 46.33 2mob n GLY 74 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2mob s PHE 75 N -3.72 0.27 -1.06 1.61 0.08 -0.76 -3.33 117.98 111.07 2mob s PHE 75 Ca 0.43 -1.46 -0.21 0.00 0.12 0.00 0.00 56.93 55.80 2mob s PHE 75 Cb -0.24 -0.63 0.07 0.00 -0.57 0.00 0.00 43.02 41.64 2mob s PHE 75 CO 0.98 -0.92 1.45 -0.46 -0.10 0.00 0.00 175.22 176.17 2mob s TRP 76 N 0.89 2.68 -0.19 0.36 -0.00 0.11 -1.60 118.94 121.20 2mob s TRP 76 Ca 0.23 -1.07 -0.19 0.00 -0.00 0.00 0.00 56.10 55.06 2mob s TRP 76 Cb -0.11 -4.64 -0.03 0.00 -0.00 0.00 0.00 33.47 28.69 2mob s TRP 76 CO -0.06 -1.84 0.56 -1.58 -0.00 0.00 0.00 176.95 174.02 2mob s TRP 77 N 4.46 3.39 -0.00 5.86 0.52 -0.19 -2.12 118.94 130.87 2mob s TRP 77 Ca 0.45 0.86 0.07 0.00 0.02 0.00 0.00 56.10 57.50 2mob s TRP 77 Cb -0.00 -2.71 -0.03 0.00 -1.15 0.00 0.00 33.47 29.58 2mob s TRP 77 CO -0.07 -0.10 -0.21 0.42 0.02 0.00 0.00 176.95 177.02 2mob s ILE 78 N 1.61 2.53 -0.15 2.03 -1.09 0.28 0.15 121.20 126.57 2mob s ILE 78 Ca 0.26 -1.06 0.01 0.00 -2.23 0.00 0.00 60.65 57.64 2mob s ILE 78 Cb -0.16 -1.97 0.02 0.00 -1.58 0.00 0.00 42.46 38.77 2mob s ILE 78 CO 0.10 0.49 -0.17 -0.75 -1.23 0.00 0.00 174.94 173.38 2mob s LYS 79 N -0.94 2.61 0.02 2.79 2.20 0.21 0.12 119.74 126.75 2mob s LYS 79 Ca 0.12 -0.69 0.05 0.00 -0.36 0.00 0.00 55.97 55.09 2mob s LYS 79 Cb -0.10 -2.25 -0.02 0.00 -1.51 0.00 0.00 37.83 33.95 2mob s LYS 79 CO 0.01 -0.15 -0.15 0.00 -0.36 0.00 0.00 175.35 174.71 2mob s ALA 80 N 1.20 1.21 -0.35 3.13 0.00 -0.77 0.16 121.76 126.34 2mob s ALA 80 Ca 0.00 -0.76 -0.04 0.00 0.00 0.00 0.00 51.96 51.16 2mob s ALA 80 Cb -0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 2mob s ALA 80 CO -0.08 0.26 2.96 -0.25 0.00 0.00 0.00 175.76 178.65 2mob n ASP 81 N 2.21 6.18 -0.28 0.00 8.00 -1.26 -1.93 116.55 129.48 2mob n ASP 81 Ca -0.16 -3.04 0.00 0.00 0.71 0.00 0.00 54.79 52.30 2mob n ASP 81 Cb 0.55 -1.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.37 2mob n ASP 81 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2mob n GLY 82 N 1.24 1.64 3.79 0.44 0.00 -1.26 -4.82 105.19 106.22 2mob n GLY 82 Ca 0.47 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 2mob n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2mob s ALA 83 N -1.00 2.66 0.06 4.61 0.00 -1.26 -4.51 121.76 122.32 2mob s ALA 83 Ca 0.00 0.47 0.01 0.00 0.00 0.00 0.00 51.96 52.44 2mob s ALA 83 Cb 0.00 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 2mob s ALA 83 CO 0.00 -0.93 -0.06 -1.50 0.00 0.00 0.00 175.76 173.27 2mob s ILE 84 N -2.36 0.50 0.20 0.00 1.10 -0.53 -5.03 121.20 115.07 2mob s ILE 84 Ca 0.65 -1.55 0.10 0.00 -0.51 0.00 0.00 60.65 59.34 2mob s ILE 84 Cb -0.18 -1.19 -0.04 0.00 0.15 0.00 0.00 42.46 41.20 2mob s ILE 84 CO 0.37 -0.72 -0.21 -1.61 -2.11 0.00 0.00 174.94 170.66 2mob s GLU 85 N -2.94 1.45 -0.13 3.50 2.02 -1.26 -2.06 118.70 119.28 2mob s GLU 85 Ca 0.02 -1.52 -0.29 0.00 0.02 0.00 0.00 54.97 53.20 2mob s GLU 85 Cb -0.00 -1.64 0.08 0.00 0.10 0.00 0.00 34.13 32.66 2mob s GLU 85 CO -0.04 0.34 0.74 -1.50 0.02 0.00 0.00 175.26 174.82 2mob s ILE 86 N -1.94 0.00 0.44 -1.63 -1.16 -0.94 -4.95 121.20 111.03 2mob s ILE 86 Ca 0.20 0.00 0.03 0.00 -0.51 0.00 0.00 60.65 60.37 2mob s ILE 86 Cb -0.07 -1.00 -0.03 0.00 0.61 0.00 0.00 42.46 41.97 2mob s ILE 86 CO 0.09 0.00 0.06 -1.81 -2.81 0.00 0.00 174.94 170.47 2mob s ASP 87 N -0.74 3.41 0.00 4.50 1.11 -1.26 -0.98 116.67 122.71 2mob s ASP 87 Ca -0.07 -1.61 0.00 0.00 0.18 0.00 0.00 52.55 51.06 2mob s ASP 87 Cb -0.01 0.36 0.00 0.00 1.07 0.00 0.00 42.92 44.34 2mob s ASP 87 CO 0.06 -0.82 0.00 0.00 1.18 0.00 0.00 175.17 175.59 2mob n ALA 88 N -1.04 0.00 -0.26 5.23 0.00 -1.21 -4.85 120.51 118.39 2mob n ALA 88 Ca -0.11 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.40 2mob n ALA 88 Cb 0.66 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.31 2mob n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2mob h ALA 89 N 0.00 0.97 -0.98 0.00 0.00 -1.85 0.35 119.26 117.75 2mob h ALA 89 Ca 0.00 0.19 0.23 0.00 0.00 0.00 0.00 54.91 55.33 2mob h ALA 89 Cb 0.00 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 2mob h ALA 89 CO 0.00 -0.37 0.64 1.49 0.00 0.00 0.00 179.25 181.01 2mob h GLU 90 N 0.23 0.43 -0.06 0.00 4.81 -1.91 1.00 114.58 119.08 2mob h GLU 90 Ca 0.44 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.55 2mob h GLU 90 Cb 0.77 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 2mob h GLU 90 CO -0.56 0.28 -0.38 0.00 -0.73 0.00 0.00 179.01 177.62 2mob h ALA 91 N 1.61 1.25 0.49 2.92 0.00 -0.62 -2.12 119.26 122.80 2mob h ALA 91 Ca 0.54 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2mob h ALA 91 Cb 1.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2mob h ALA 91 CO -0.25 0.53 -0.24 0.78 0.00 0.00 0.00 179.25 180.07 2mob h GLY 92 N 1.18 -0.69 -0.62 0.00 0.00 0.12 -1.02 103.07 102.03 2mob h GLY 92 Ca 0.01 0.26 0.34 0.00 0.00 0.00 0.00 47.33 47.93 2mob h GLY 92 CO 0.05 -0.25 0.99 1.05 0.00 0.00 0.00 176.54 178.38 2mob h GLU 93 N -1.04 0.00 0.00 4.80 4.11 -1.29 2.05 114.58 123.21 2mob h GLU 93 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.36 2mob h GLU 93 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2mob h GLU 93 CO 0.11 0.00 0.00 -0.11 0.07 0.00 0.00 179.01 179.08 2mob n LEU 94 N -3.80 0.12 -0.13 3.06 0.00 -0.80 -4.63 117.00 110.82 2mob n LEU 94 Ca 0.25 0.74 -0.25 0.00 0.00 0.00 0.00 56.01 56.75 2mob n LEU 94 Cb 1.36 -0.45 -0.11 0.00 0.00 0.00 0.00 43.42 44.21 2mob n LEU 94 CO 0.35 -0.45 -1.33 0.18 0.00 0.00 0.00 177.39 176.13 2mob n LEU 95 N -1.86 2.30 -0.36 -1.96 4.32 -0.28 -5.05 117.00 114.10 2mob n LEU 95 Ca 0.00 0.19 0.00 0.00 -0.02 0.00 0.00 56.01 56.18 2mob n LEU 95 Cb 0.00 -0.87 0.00 0.00 -1.62 0.00 0.00 43.42 40.93 2mob n LEU 95 CO 0.00 0.68 0.00 0.61 -1.22 0.00 0.00 177.39 177.46 2mob n GLY 96 N 1.61 0.56 0.00 -0.72 0.00 0.68 -5.01 105.19 102.31 2mob n GLY 96 Ca -0.50 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2mob n GLY 96 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2mob n LYS 97 N -0.36 0.00 0.00 1.61 2.85 -1.26 -4.95 118.16 116.05 2mob n LYS 97 Ca 0.00 0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.35 2mob n LYS 97 Cb 0.16 0.00 0.55 0.00 -0.65 0.00 0.00 35.03 35.09 2mob n LYS 97 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 2mob n PRO 98 N 0.00 0.59 -0.09 -1.58 -0.04 -1.26 -4.07 135.00 128.54 2mob n PRO 98 Ca 0.00 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.54 2mob n PRO 98 Cb 0.00 -1.49 0.15 0.00 -0.04 0.00 0.00 33.50 32.12 2mob n PRO 98 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2mob n PHE 99 N -0.99 0.30 0.26 0.54 1.16 -1.26 0.74 117.46 118.21 2mob n PHE 99 Ca 0.14 0.33 -0.14 0.00 -1.87 0.00 0.00 57.45 55.91 2mob n PHE 99 Cb 0.06 -0.78 -0.08 0.00 -1.61 0.00 0.00 39.48 37.07 2mob n PHE 99 CO 0.00 0.00 0.00 0.77 -1.87 0.00 0.00 176.76 175.66 2mob h SER 100 N 0.00 -1.04 0.12 5.98 0.02 -1.73 -1.86 113.55 115.04 2mob h SER 100 Ca 0.22 0.07 -0.32 0.00 -0.84 0.00 0.00 61.79 60.93 2mob h SER 100 Cb 0.58 0.33 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 2mob h SER 100 CO -0.23 -0.54 -1.70 0.58 -1.14 0.00 0.00 176.83 173.80 2mob h VAL 101 N -0.83 0.82 -0.82 2.27 2.07 -0.02 -3.05 116.25 116.70 2mob h VAL 101 Ca -0.06 -2.36 0.14 0.00 0.82 0.00 0.00 66.70 65.24 2mob h VAL 101 Cb 0.70 2.57 -0.09 0.00 -1.52 0.00 0.00 31.29 32.95 2mob h VAL 101 CO -0.00 0.77 0.40 0.22 0.02 0.00 0.00 177.57 178.97 2mob h TYR 102 N -0.16 0.69 -0.19 1.57 3.20 -0.39 1.49 116.97 123.18 2mob h TYR 102 Ca -0.37 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.53 2mob h TYR 102 Cb 1.88 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.96 2mob h TYR 102 CO 0.10 0.15 0.11 0.22 -1.64 0.00 0.00 178.16 177.09 2mob h ASP 103 N 0.57 0.23 -0.09 -2.11 3.58 -1.45 -2.38 116.42 114.77 2mob h ASP 103 Ca 0.45 -0.07 -0.21 0.00 0.42 0.00 0.00 57.03 57.61 2mob h ASP 103 Cb 0.64 -0.06 0.01 0.00 1.72 0.00 0.00 39.33 41.65 2mob h ASP 103 CO -0.37 0.24 -0.77 0.17 -2.88 0.00 0.00 179.24 175.63 2mob h LEU 104 N 0.21 0.84 -1.57 2.28 8.10 -0.91 -2.75 115.31 121.51 2mob h LEU 104 Ca 0.07 -0.67 0.00 0.00 0.11 0.00 0.00 57.88 57.39 2mob h LEU 104 Cb 0.06 -0.25 0.00 0.00 -0.44 0.00 0.00 40.66 40.03 2mob h LEU 104 CO -0.01 1.38 0.42 -0.07 -4.11 0.00 0.00 178.44 176.05 2mob h LEU 105 N 0.36 0.00 0.00 0.17 3.38 0.21 2.56 115.31 122.00 2mob h LEU 105 Ca -0.07 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.58 2mob h LEU 105 Cb 1.42 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.12 2mob h LEU 105 CO 0.16 0.00 -1.77 -0.38 0.09 0.00 0.00 178.44 176.53 2mob n ILE 106 N -2.71 1.54 0.86 1.22 -0.00 -0.91 -4.55 119.36 114.82 2mob n ILE 106 Ca -0.02 -0.18 0.10 0.00 -0.00 0.00 0.00 62.75 62.65 2mob n ILE 106 Cb 0.45 -1.97 -0.13 0.00 -0.00 0.00 0.00 39.64 38.00 2mob n ILE 106 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 2mob n ASN 107 N -4.32 0.87 0.00 4.38 6.94 -0.74 -4.19 115.26 118.19 2mob n ASN 107 Ca -0.41 -0.87 0.04 0.00 -0.02 0.00 0.00 54.58 53.32 2mob n ASN 107 Cb 0.77 1.13 0.19 0.00 -2.36 0.00 0.00 39.78 39.51 2mob n ASN 107 CO 0.00 0.00 0.00 0.55 -1.03 0.00 0.00 177.26 176.78 2mob n VAL 108 N -1.59 0.97 -0.45 3.53 3.14 0.85 -3.66 118.33 121.11 2mob n VAL 108 Ca 0.03 0.24 0.35 0.00 -2.96 0.00 0.00 64.34 62.00 2mob n VAL 108 Cb 0.36 -1.11 0.55 0.00 -1.06 0.00 0.00 33.84 32.57 2mob n VAL 108 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 2mob n SER 109 N -1.33 0.04 -1.19 6.55 2.88 -1.26 0.30 113.62 119.61 2mob n SER 109 Ca 0.03 0.76 -0.04 0.00 -1.33 0.00 0.00 58.87 58.29 2mob n SER 109 Cb 0.07 -0.38 0.05 0.00 -0.75 0.00 0.00 64.21 63.20 2mob n SER 109 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2mob n SER 110 N -3.52 2.95 -0.06 -3.46 3.41 -1.24 -4.22 113.62 107.48 2mob n SER 110 Ca 0.30 -2.34 -0.02 0.00 -0.26 0.00 0.00 58.87 56.54 2mob n SER 110 Cb 1.33 -0.57 0.22 0.00 -0.26 0.00 0.00 64.21 64.92 2mob n SER 110 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2mob h THR 111 N 0.38 1.22 0.00 6.66 1.03 0.43 -3.40 112.91 119.24 2mob h THR 111 Ca 0.12 -0.91 0.00 0.00 -0.01 0.00 0.00 66.41 65.61 2mob h THR 111 Cb 1.32 0.90 0.00 0.00 -1.07 0.00 0.00 68.15 69.30 2mob h THR 111 CO 0.23 0.32 0.00 0.52 -0.01 0.00 0.00 175.52 176.58 2mob n VAL 112 N -4.24 0.00 -1.50 0.00 0.31 -1.26 -2.93 118.33 108.71 2mob n VAL 112 Ca 0.02 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.05 2mob n VAL 112 Cb 0.27 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.14 2mob n VAL 112 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2mob n GLY 113 N 0.00 4.30 0.52 2.92 0.00 -1.26 -4.97 105.19 106.71 2mob n GLY 113 Ca 0.00 -1.72 0.05 0.00 0.00 0.00 0.00 46.02 44.36 2mob n GLY 113 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2mob n ARG 114 N 2.01 -0.84 -3.86 1.61 0.63 -1.15 -4.40 116.66 110.66 2mob n ARG 114 Ca 0.58 0.58 -0.28 0.00 -0.92 0.00 0.00 57.85 57.81 2mob n ARG 114 Cb 0.48 -1.14 -0.16 0.00 0.45 0.00 0.00 32.46 32.09 2mob n ARG 114 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2mob s ALA 115 N -1.90 1.41 -0.07 5.13 0.00 -1.26 -4.38 121.76 120.68 2mob s ALA 115 Ca 0.00 -0.82 -0.30 0.00 0.00 0.00 0.00 51.96 50.84 2mob s ALA 115 Cb 0.00 -1.14 -0.05 0.00 0.00 0.00 0.00 23.12 21.93 2mob s ALA 115 CO 0.00 -0.87 1.51 0.71 0.00 0.00 0.00 175.76 177.11 2mob s TYR 116 N 1.67 2.38 0.99 0.00 2.02 0.87 -4.58 117.35 120.69 2mob s TYR 116 Ca 0.00 0.52 -0.17 0.00 -0.37 0.00 0.00 57.07 57.06 2mob s TYR 116 Cb -0.16 -3.77 0.21 0.00 -0.40 0.00 0.00 41.96 37.85 2mob s TYR 116 CO -0.07 -3.04 1.32 0.99 -1.57 0.00 0.00 175.55 173.17 2mob s THR 117 N 3.55 1.97 -0.45 -0.71 2.01 -1.26 0.69 115.64 121.43 2mob s THR 117 Ca 0.67 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.74 2mob s THR 117 Cb -0.30 -2.97 0.32 0.00 0.01 0.00 0.00 72.50 69.56 2mob s THR 117 CO 0.25 0.00 1.05 -0.11 -0.69 0.00 0.00 174.62 175.12 2mob n LEU 118 N -3.87 -1.89 0.00 4.42 0.00 0.94 -4.76 117.00 111.84 2mob n LEU 118 Ca 0.16 -3.89 0.00 0.00 0.00 0.00 0.00 56.01 52.28 2mob n LEU 118 Cb 0.59 0.90 0.00 0.00 0.00 0.00 0.00 43.42 44.91 2mob n LEU 118 CO 0.45 2.11 0.00 0.61 0.00 0.00 0.00 177.39 180.56 2mob n GLY 119 N 0.42 0.26 0.01 -3.96 0.00 -1.26 -2.70 105.19 97.97 2mob n GLY 119 Ca 0.09 -0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 2mob n GLY 119 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2mob n THR 120 N 0.00 0.20 -3.96 2.61 -2.24 -1.26 -5.06 114.28 104.57 2mob n THR 120 Ca 0.00 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2mob n THR 120 Cb 0.00 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 2mob n THR 120 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2mob n LYS 121 N -2.00 0.83 -3.84 -0.78 2.85 -1.10 -2.82 118.16 111.30 2mob n LYS 121 Ca -0.05 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.07 2mob n LYS 121 Cb 0.48 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.83 2mob n LYS 121 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 177.40 179.32 2mob n PHE 122 N 0.00 -1.45 -3.78 5.58 -1.74 -0.15 0.32 117.46 116.24 2mob n PHE 122 Ca 0.00 -2.21 -0.09 0.00 -0.56 0.00 0.00 57.45 54.59 2mob n PHE 122 Cb 0.00 0.54 -0.04 0.00 1.52 0.00 0.00 39.48 41.50 2mob n PHE 122 CO 0.00 0.00 0.00 -0.08 -0.56 0.00 0.00 176.76 176.12 2mob s THR 123 N -2.76 0.02 0.02 1.97 -1.32 0.22 -2.21 115.64 111.57 2mob s THR 123 Ca 0.27 -0.86 0.03 0.00 -1.21 0.00 0.00 61.69 59.91 2mob s THR 123 Cb -0.01 -1.68 -0.01 0.00 -1.51 0.00 0.00 72.50 69.29 2mob s THR 123 CO 0.19 -0.09 -0.09 -0.63 -2.21 0.00 0.00 174.62 171.79 2mob s ILE 124 N -3.89 0.66 0.00 5.08 1.09 -0.88 -0.09 121.20 123.18 2mob s ILE 124 Ca 0.11 -0.67 0.00 0.00 -1.10 0.00 0.00 60.65 58.99 2mob s ILE 124 Cb -0.01 -0.62 -0.00 0.00 -1.06 0.00 0.00 42.46 40.77 2mob s ILE 124 CO -0.01 -0.03 0.00 1.07 -0.10 0.00 0.00 174.94 175.87 2mob n THR 125 N 2.27 0.00 0.02 2.92 5.66 -1.26 -1.46 114.28 122.44 2mob n THR 125 Ca -0.17 -0.02 -0.00 0.00 -3.05 0.00 0.00 64.05 60.81 2mob n THR 125 Cb 0.56 0.01 -0.00 0.00 -1.55 0.00 0.00 70.33 69.35 2mob n THR 125 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2mob n SER 126 N -1.33 0.63 -2.44 1.09 2.88 -1.26 -4.33 113.62 108.87 2mob n SER 126 Ca -0.00 0.08 -0.15 0.00 -1.33 0.00 0.00 58.87 57.47 2mob n SER 126 Cb 0.01 -0.21 -0.10 0.00 -0.75 0.00 0.00 64.21 63.16 2mob n SER 126 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2mob n GLU 127 N -3.07 1.85 0.00 -1.46 1.02 -1.26 -4.86 120.64 112.86 2mob n GLU 127 Ca -0.00 -1.03 0.00 0.00 -0.02 0.00 0.00 57.16 56.10 2mob n GLU 127 Cb 0.02 -2.08 0.00 0.00 -0.02 0.00 0.00 31.44 29.36 2mob n GLU 127 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78