#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 0.00 -2.21 4.04 4.05 -1.26 -4.90 115.26 114.99 2mob n ASN 36 Ca 0.00 0.00 -0.28 0.00 0.45 0.00 0.00 54.58 54.75 2mob n ASN 36 Cb 0.00 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 40.98 2mob n ASN 36 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2mob n ALA 37 N 0.00 -2.02 -3.05 5.20 0.00 -1.26 -4.70 120.51 114.68 2mob n ALA 37 Ca 0.00 0.27 -0.10 0.00 0.00 0.00 0.00 53.44 53.61 2mob n ALA 37 Cb 0.00 -0.85 -0.10 0.00 0.00 0.00 0.00 19.45 18.50 2mob n ALA 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2mob s VAL 38 N -0.15 0.09 0.09 0.00 0.11 -0.92 -4.93 120.40 114.69 2mob s VAL 38 Ca 0.41 -0.79 0.07 0.00 -2.93 0.00 0.00 61.98 58.74 2mob s VAL 38 Cb -0.58 -0.35 -0.03 0.00 -1.53 0.00 0.00 36.38 33.89 2mob s VAL 38 CO 0.28 -0.43 -0.18 0.54 -3.33 0.00 0.00 175.10 171.98 2mob s VAL 39 N -1.40 1.44 -0.12 2.04 0.11 -1.26 -1.28 120.40 119.92 2mob s VAL 39 Ca -0.15 -1.44 -0.01 0.00 -2.93 0.00 0.00 61.98 57.45 2mob s VAL 39 Cb -0.09 -1.34 -0.02 0.00 -1.53 0.00 0.00 36.38 33.41 2mob s VAL 39 CO 0.00 -0.14 -0.10 -0.22 -3.33 0.00 0.00 175.10 171.31 2mob s LEU 40 N -1.84 2.91 -0.10 2.54 2.96 0.36 -4.68 118.68 120.83 2mob s LEU 40 Ca 0.03 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 53.72 2mob s LEU 40 Cb -0.10 -1.66 0.02 0.00 0.50 0.00 0.00 46.19 44.95 2mob s LEU 40 CO 0.03 0.21 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.46 2mob s VAL 41 N 0.12 1.28 0.22 1.68 1.01 -1.26 0.10 120.40 123.55 2mob s VAL 41 Ca -0.04 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.43 2mob s VAL 41 Cb -0.14 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.04 2mob s VAL 41 CO 0.04 0.40 0.01 0.18 0.00 0.00 0.00 175.10 175.73 2mob n LEU 42 N 4.33 0.00 -0.36 3.92 7.99 0.45 -3.50 117.00 129.82 2mob n LEU 42 Ca -0.18 -1.38 0.09 0.00 -0.01 0.00 0.00 56.01 54.52 2mob n LEU 42 Cb 0.51 0.15 0.18 0.00 -0.11 0.00 0.00 43.42 44.14 2mob n LEU 42 CO 0.22 -0.21 0.58 1.15 -1.51 0.00 0.00 177.39 177.63 2mob n MET 43 N -0.58 1.70 0.00 3.23 0.00 -1.26 -0.66 117.12 119.56 2mob n MET 43 Ca -0.09 -2.75 0.00 0.00 0.00 0.00 0.00 57.70 54.86 2mob n MET 43 Cb 0.28 -1.61 0.00 0.00 0.00 0.00 0.00 33.22 31.89 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 -1.19 0.00 0.00 3.17 4.76 -1.20 -3.52 118.16 120.18 2mob n LYS 44 Ca 0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 2mob n LYS 44 Cb 0.72 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.91 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 0.00 0.00 4.39 3.41 -1.26 -1.32 113.62 118.84 2mob n SER 45 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2mob n SER 45 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 -0.69 0.00 0.11 4.04 9.92 -1.26 -3.40 116.55 125.26 2mob n ASP 46 Ca 0.00 0.00 0.20 0.00 -0.53 0.00 0.00 54.79 54.46 2mob n ASP 46 Cb 0.00 0.00 0.73 0.00 -0.64 0.00 0.00 41.12 41.21 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 0.25 -1.24 5.08 -2.01 -2.94 114.58 113.72 2mob h GLU 47 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 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 -0.12 0.82 -1.00 0.00 0.00 179.01 178.71 2mob h ILE 48 N 0.00 0.00 -1.55 3.13 1.08 -1.95 -0.79 117.51 117.43 2mob h ILE 48 Ca 0.18 -0.51 0.48 0.00 -0.39 0.00 0.00 64.86 64.62 2mob h ILE 48 Cb 1.14 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.79 2mob h ILE 48 CO -0.00 0.00 1.08 0.47 -0.69 0.00 0.00 178.15 179.01 2mob n ASP 49 N -4.35 0.08 0.02 1.72 8.00 -1.11 0.28 116.55 121.18 2mob n ASP 49 Ca -0.04 1.04 -0.08 0.00 0.71 0.00 0.00 54.79 56.42 2mob n ASP 49 Cb 0.13 -0.52 -0.06 0.00 -0.02 0.00 0.00 41.12 40.66 2mob n ASP 49 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2mob h ALA 50 N 1.12 -0.15 -0.04 2.24 0.00 -1.55 -2.50 119.26 118.38 2mob h ALA 50 Ca 0.82 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.51 2mob h ALA 50 Cb 3.05 0.06 0.00 0.00 0.00 0.00 0.00 17.79 20.89 2mob h ALA 50 CO -0.18 -0.18 -0.07 -0.84 0.00 0.00 0.00 179.25 177.98 2mob h ILE 51 N -0.97 1.43 -0.97 0.00 3.07 0.24 -0.94 117.51 119.37 2mob h ILE 51 Ca -0.02 -1.38 0.28 0.00 1.55 0.00 0.00 64.86 65.29 2mob h ILE 51 Cb 0.44 2.26 -0.14 0.00 -0.27 0.00 0.00 36.82 39.11 2mob h ILE 51 CO 0.03 0.37 0.49 0.40 -1.05 0.00 0.00 178.15 178.39 2mob h ILE 52 N -0.40 0.37 0.71 0.16 1.08 0.38 4.92 117.51 124.72 2mob h ILE 52 Ca 0.00 -0.12 -0.03 0.00 -0.39 0.00 0.00 64.86 64.31 2mob h ILE 52 Cb 0.64 -0.02 0.01 0.00 -3.07 0.00 0.00 36.82 34.38 2mob h ILE 52 CO 0.02 0.07 -0.34 -0.08 -0.69 0.00 0.00 178.15 177.12 2mob h GLU 53 N 0.36 -0.92 0.00 2.37 4.22 -1.19 3.00 114.58 122.42 2mob h GLU 53 Ca 0.66 0.06 0.00 0.00 0.08 0.00 0.00 59.36 60.16 2mob h GLU 53 Cb 1.40 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.86 2mob h GLU 53 CO -0.58 -0.61 0.00 -3.47 -2.18 0.00 0.00 179.01 172.17 2mob n ASP 54 N -5.16 0.43 -0.07 1.04 2.03 -0.25 -1.84 116.55 112.73 2mob n ASP 54 Ca -0.12 0.55 -0.09 0.00 0.52 0.00 0.00 54.79 55.66 2mob n ASP 54 Cb 0.38 -0.66 -0.09 0.00 -0.72 0.00 0.00 41.12 40.02 2mob n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2mob n ILE 55 N -1.91 0.90 -0.02 5.18 0.13 1.59 -4.84 119.36 120.40 2mob n ILE 55 Ca 0.05 -0.45 -0.02 0.00 -1.10 0.00 0.00 62.75 61.23 2mob n ILE 55 Cb 0.35 -0.87 -0.02 0.00 -0.84 0.00 0.00 39.64 38.26 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 -2.72 0.21 -0.34 9.51 0.31 0.79 -4.06 118.33 122.03 2mob n VAL 56 Ca -0.25 -0.09 -0.03 0.00 -0.01 0.00 0.00 64.34 63.96 2mob n VAL 56 Cb 0.86 -0.69 0.01 0.00 -0.91 0.00 0.00 33.84 33.11 2mob n VAL 56 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2mob n LEU 57 N -2.50 -0.65 -0.05 7.52 -0.00 0.82 0.29 117.00 122.43 2mob n LEU 57 Ca -0.06 1.53 -0.15 0.00 -0.00 0.00 0.00 56.01 57.33 2mob n LEU 57 Cb 0.57 -0.32 -0.13 0.00 -0.00 0.00 0.00 43.42 43.55 2mob n LEU 57 CO 0.04 -1.35 0.30 0.50 -0.00 0.00 0.00 177.39 176.88 2mob h LYS 58 N 0.00 0.06 -0.60 1.96 3.64 -1.82 -3.08 116.57 116.72 2mob h LYS 58 Ca 0.27 -0.10 0.12 0.00 -1.27 0.00 0.00 60.65 59.67 2mob h LYS 58 Cb 0.49 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.25 2mob h LYS 58 CO -0.86 1.05 0.07 0.78 -2.27 0.00 0.00 179.45 178.22 2mob h GLY 59 N -0.88 0.72 0.29 5.01 0.00 -1.29 0.96 103.07 107.88 2mob h GLY 59 Ca -0.04 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2mob h GLY 59 CO 0.02 -0.15 0.00 0.61 0.00 0.00 0.00 176.54 177.02 2mob n GLY 60 N -1.33 -0.90 0.09 4.60 0.00 0.84 -2.95 105.19 105.53 2mob n GLY 60 Ca 0.09 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.12 2mob n GLY 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2mob n LYS 61 N -0.65 2.20 0.00 1.61 5.02 0.33 -4.00 118.16 122.68 2mob n LYS 61 Ca 0.06 -0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 2mob n LYS 61 Cb 0.03 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 2mob n LYS 61 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2mob n ALA 62 N -1.01 0.00 0.07 7.82 0.00 -1.00 -4.64 120.51 121.74 2mob n ALA 62 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.40 2mob n ALA 62 Cb 0.24 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.59 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 0.02 -6.38 0.00 2.10 -1.87 -3.44 116.57 107.00 2mob h LYS 63 Ca 0.00 -0.03 -0.54 0.00 -2.00 0.00 0.00 60.65 58.08 2mob h LYS 63 Cb 0.00 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.33 2mob h LYS 63 CO 0.00 0.99 0.65 -0.80 -2.00 0.00 0.00 179.45 178.30 2mob s ASN 64 N -6.74 7.05 0.09 7.07 -0.87 -1.26 -4.94 114.94 115.34 2mob s ASN 64 Ca 0.01 1.91 -0.20 0.00 -1.57 0.00 0.00 52.86 53.01 2mob s ASN 64 Cb 0.10 -2.57 -0.09 0.00 -0.02 0.00 0.00 41.25 38.68 2mob s ASN 64 CO 0.82 -0.55 1.65 1.55 -2.57 0.00 0.00 177.10 178.00 2mob h PRO 65 N 7.25 0.28 0.00 -0.60 0.13 -1.86 -3.33 132.00 133.87 2mob h PRO 65 Ca -0.37 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2mob h PRO 65 Cb 1.18 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2mob h PRO 65 CO 0.85 0.33 0.00 0.45 -0.23 0.00 0.00 178.00 179.41 2mob n SER 66 N -4.85 0.00 -4.68 1.44 2.88 -1.26 -4.92 113.62 102.23 2mob n SER 66 Ca -0.04 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.15 2mob n SER 66 Cb 0.11 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.48 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 4.71 0.44 2.46 1.09 -1.26 -4.51 121.20 124.13 2mob s ILE 67 Ca 0.00 -0.08 -0.01 0.00 -1.10 0.00 0.00 60.65 59.46 2mob s ILE 67 Cb 0.00 -3.07 -0.01 0.00 -1.06 0.00 0.00 42.46 38.32 2mob s ILE 67 CO 0.00 0.54 0.68 0.54 -0.10 0.00 0.00 174.94 176.59 2mob s VAL 68 N -0.26 4.38 -0.23 2.92 0.11 0.87 -4.93 120.40 123.26 2mob s VAL 68 Ca 0.08 -0.34 -0.03 0.00 -2.93 0.00 0.00 61.98 58.75 2mob s VAL 68 Cb -0.12 -3.63 0.07 0.00 -1.53 0.00 0.00 36.38 31.17 2mob s VAL 68 CO 0.02 -0.48 0.07 -0.69 -3.33 0.00 0.00 175.10 170.69 2mob s VAL 69 N -2.56 0.34 -0.01 2.04 1.01 -1.26 -2.15 120.40 117.80 2mob s VAL 69 Ca 0.47 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 2mob s VAL 69 Cb -0.10 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 2mob s VAL 69 CO 0.39 -0.40 0.13 -1.61 0.00 0.00 0.00 175.10 173.61 2mob s GLU 70 N 1.92 3.26 -0.06 2.72 0.41 0.44 -4.98 118.70 122.41 2mob s GLU 70 Ca 0.03 -0.39 -0.02 0.00 -0.41 0.00 0.00 54.97 54.19 2mob s GLU 70 Cb -0.17 -2.99 0.03 0.00 -1.78 0.00 0.00 34.13 29.22 2mob s GLU 70 CO -0.16 0.67 0.02 0.16 -0.49 0.00 0.00 175.26 175.46 2mob s ASP 71 N -1.79 1.48 -0.58 -0.19 -4.77 -1.26 -1.27 116.67 108.30 2mob s ASP 71 Ca 0.24 -0.05 0.04 0.00 -3.30 0.00 0.00 52.55 49.48 2mob s ASP 71 Cb -0.12 -0.35 0.16 0.00 -1.09 0.00 0.00 42.92 41.52 2mob s ASP 71 CO 0.16 -0.22 0.39 -0.54 0.70 0.00 0.00 175.17 175.66 2mob s LYS 72 N 2.03 1.90 0.00 2.11 1.02 0.17 -4.93 119.74 122.04 2mob s LYS 72 Ca 0.05 -2.78 0.00 0.00 0.02 0.00 0.00 55.97 53.26 2mob s LYS 72 Cb -0.12 -2.84 0.00 0.00 -0.52 0.00 0.00 37.83 34.35 2mob s LYS 72 CO -0.05 -1.26 0.00 0.00 -0.92 0.00 0.00 175.35 173.13 2mob n ALA 73 N 2.57 -0.93 0.00 5.17 0.00 -1.26 -0.28 120.51 125.77 2mob n ALA 73 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2mob n ALA 73 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.30 1.10 2.59 0.00 0.00 -0.43 -5.03 105.19 103.12 2mob n GLY 74 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.00 0.60 -1.00 1.61 0.40 0.61 -3.23 117.98 114.97 2mob s PHE 75 Ca 0.00 -1.01 -0.18 0.00 -0.60 0.00 0.00 56.93 55.15 2mob s PHE 75 Cb 0.00 -1.05 0.14 0.00 0.51 0.00 0.00 43.02 42.62 2mob s PHE 75 CO 0.00 -0.81 1.21 -0.46 0.70 0.00 0.00 175.22 175.86 2mob s TRP 76 N 2.00 3.21 -0.39 0.36 -0.00 0.17 0.46 118.94 124.74 2mob s TRP 76 Ca 0.08 -1.57 -0.16 0.00 -0.00 0.00 0.00 56.10 54.46 2mob s TRP 76 Cb -0.16 -4.30 0.01 0.00 -0.00 0.00 0.00 33.47 29.02 2mob s TRP 76 CO -0.32 -1.47 0.36 -1.58 -0.00 0.00 0.00 176.95 173.94 2mob s TRP 77 N 2.45 3.20 0.08 5.86 0.52 -0.40 0.17 118.94 130.83 2mob s TRP 77 Ca 0.35 -0.35 0.07 0.00 0.02 0.00 0.00 56.10 56.20 2mob s TRP 77 Cb -0.04 -2.72 -0.04 0.00 -1.15 0.00 0.00 33.47 29.52 2mob s TRP 77 CO -0.07 -0.58 -0.14 0.42 0.02 0.00 0.00 176.95 176.59 2mob s ILE 78 N 1.94 3.07 -0.08 2.03 1.09 0.29 0.17 121.20 129.71 2mob s ILE 78 Ca 0.09 -1.28 0.01 0.00 -1.10 0.00 0.00 60.65 58.37 2mob s ILE 78 Cb -0.18 -2.38 0.02 0.00 -1.06 0.00 0.00 42.46 38.86 2mob s ILE 78 CO 0.12 0.19 -0.09 -1.59 -0.10 0.00 0.00 174.94 173.48 2mob s LYS 79 N -1.91 1.44 0.40 2.79 -2.85 -0.92 0.13 119.74 118.83 2mob s LYS 79 Ca 0.18 -0.27 0.04 0.00 -1.00 0.00 0.00 55.97 54.91 2mob s LYS 79 Cb -0.11 -1.37 -0.04 0.00 -2.06 0.00 0.00 37.83 34.25 2mob s LYS 79 CO 0.10 -0.12 0.06 0.00 0.10 0.00 0.00 175.35 175.48 2mob s ALA 80 N 1.18 3.03 -0.46 0.59 0.00 -0.40 -0.09 121.76 125.62 2mob s ALA 80 Ca -0.05 -1.52 0.06 0.00 0.00 0.00 0.00 51.96 50.45 2mob s ALA 80 Cb -0.14 0.46 0.40 0.00 0.00 0.00 0.00 23.12 23.85 2mob s ALA 80 CO -0.02 -0.22 1.05 -3.47 0.00 0.00 0.00 175.76 173.10 2mob n ASP 81 N -1.03 4.32 0.00 0.00 -0.08 -1.26 -2.18 116.55 116.33 2mob n ASP 81 Ca -0.07 -3.62 0.00 0.00 -1.51 0.00 0.00 54.79 49.59 2mob n ASP 81 Cb 0.66 -0.49 0.00 0.00 2.34 0.00 0.00 41.12 43.63 2mob n ASP 81 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2mob n GLY 82 N -0.38 -0.42 2.80 0.27 0.00 -1.26 -4.82 105.19 101.37 2mob n GLY 82 Ca 0.35 0.57 -0.26 0.00 0.00 0.00 0.00 46.02 46.68 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 1.05 0.05 4.61 0.00 -1.26 -3.82 121.76 121.39 2mob s ALA 83 Ca 0.00 -0.53 0.02 0.00 0.00 0.00 0.00 51.96 51.45 2mob s ALA 83 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 2mob s ALA 83 CO 0.00 -0.77 0.07 -1.50 0.00 0.00 0.00 175.76 173.56 2mob s ILE 84 N 1.83 4.54 0.24 0.00 1.10 -0.76 -5.02 121.20 123.12 2mob s ILE 84 Ca 0.02 -0.67 0.06 0.00 -0.51 0.00 0.00 60.65 59.55 2mob s ILE 84 Cb -0.15 -3.14 -0.03 0.00 0.15 0.00 0.00 42.46 39.29 2mob s ILE 84 CO -0.07 0.21 0.24 -1.61 -2.11 0.00 0.00 174.94 171.59 2mob s GLU 85 N -2.14 3.09 -0.08 3.50 2.02 -1.26 -1.92 118.70 121.90 2mob s GLU 85 Ca 0.27 -0.94 -0.31 0.00 0.02 0.00 0.00 54.97 54.01 2mob s GLU 85 Cb -0.12 -2.68 0.09 0.00 0.10 0.00 0.00 34.13 31.52 2mob s GLU 85 CO 0.19 0.42 0.76 -1.50 0.02 0.00 0.00 175.26 175.15 2mob s ILE 86 N -2.04 0.00 0.24 -1.63 -1.16 -0.94 -4.88 121.20 110.78 2mob s ILE 86 Ca 0.33 0.00 0.04 0.00 -0.51 0.00 0.00 60.65 60.51 2mob s ILE 86 Cb -0.09 -1.00 -0.01 0.00 0.61 0.00 0.00 42.46 41.97 2mob s ILE 86 CO 0.26 0.00 0.14 0.47 -2.81 0.00 0.00 174.94 173.00 2mob n ASP 87 N 0.89 0.34 0.00 4.50 9.92 -1.26 -0.91 116.55 130.03 2mob n ASP 87 Ca -0.17 -2.39 0.00 0.00 -0.53 0.00 0.00 54.79 51.70 2mob n ASP 87 Cb 0.57 0.86 0.00 0.00 -0.64 0.00 0.00 41.12 41.91 2mob n ASP 87 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2mob n ALA 88 N -1.66 0.16 -0.29 2.24 0.00 -1.25 -4.84 120.51 114.87 2mob n ALA 88 Ca -0.09 -0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.41 2mob n ALA 88 Cb 0.39 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.00 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 0.78 -0.64 0.00 0.00 -1.89 0.39 119.26 117.90 2mob h ALA 89 Ca 0.00 0.30 0.14 0.00 0.00 0.00 0.00 54.91 55.34 2mob h ALA 89 Cb 0.03 0.55 -0.11 0.00 0.00 0.00 0.00 17.79 18.26 2mob h ALA 89 CO 0.00 -0.44 0.04 1.49 0.00 0.00 0.00 179.25 180.34 2mob h GLU 90 N 0.04 0.15 -0.21 0.00 4.81 -1.95 0.80 114.58 118.22 2mob h GLU 90 Ca 0.45 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.73 2mob h GLU 90 Cb 0.80 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 2mob h GLU 90 CO -0.81 0.10 0.21 0.00 -0.73 0.00 0.00 179.01 177.78 2mob h ALA 91 N 1.57 1.90 -0.01 2.92 0.00 -0.53 -1.62 119.26 123.49 2mob h ALA 91 Ca 0.34 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 2mob h ALA 91 Cb 0.56 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2mob h ALA 91 CO -0.52 -0.31 -0.10 0.78 0.00 0.00 0.00 179.25 179.10 2mob h GLY 92 N 0.00 0.10 1.82 0.00 0.00 0.85 -0.88 103.07 104.97 2mob h GLY 92 Ca 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2mob h GLY 92 CO -0.00 0.13 0.09 1.05 0.00 0.00 0.00 176.54 177.81 2mob h GLU 93 N -0.56 0.00 0.00 4.80 4.11 -0.71 2.71 114.58 124.94 2mob h GLU 93 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2mob h GLU 93 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2mob h GLU 93 CO 0.02 0.00 -0.02 1.25 0.07 0.00 0.00 179.01 180.33 2mob h LEU 94 N 0.00 0.00 0.00 3.06 5.85 -1.01 -3.42 115.31 119.79 2mob h LEU 94 Ca 0.00 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.38 2mob h LEU 94 Cb 0.17 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 2mob h LEU 94 CO 0.00 0.11 -2.31 0.00 -0.34 0.00 0.00 178.44 175.90 2mob n LEU 95 N -2.59 0.00 -2.19 2.25 -0.00 -0.37 -5.02 117.00 109.08 2mob n LEU 95 Ca -0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.90 2mob n LEU 95 Cb 0.01 0.46 0.04 0.00 -0.00 0.00 0.00 43.42 43.94 2mob n LEU 95 CO 0.00 0.46 0.10 0.61 -0.00 0.00 0.00 177.39 178.57 2mob n GLY 96 N 1.79 0.11 0.00 1.47 0.00 0.91 -5.00 105.19 104.47 2mob n GLY 96 Ca -0.30 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2mob n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2mob n LYS 97 N -2.79 0.00 0.00 1.61 4.76 -1.26 -4.93 118.16 115.54 2mob n LYS 97 Ca -0.06 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.47 2mob n LYS 97 Cb 0.55 0.00 0.44 0.00 -1.84 0.00 0.00 35.03 34.18 2mob n LYS 97 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2mob n PRO 98 N 0.00 0.28 -0.06 1.97 -0.04 -1.26 -4.05 135.00 131.84 2mob n PRO 98 Ca 0.00 0.11 0.04 0.00 -0.04 0.00 0.00 63.50 63.61 2mob n PRO 98 Cb 0.00 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.03 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 -1.25 0.15 -0.13 0.54 1.16 -1.26 0.23 117.46 116.91 2mob n PHE 99 Ca 0.09 0.22 -0.06 0.00 -1.87 0.00 0.00 57.45 55.83 2mob n PHE 99 Cb 0.12 -0.66 0.01 0.00 -1.61 0.00 0.00 39.48 37.34 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 -0.80 0.00 5.98 0.02 -1.74 -1.23 113.55 115.77 2mob h SER 100 Ca 0.13 0.17 -0.31 0.00 -0.84 0.00 0.00 61.79 60.94 2mob h SER 100 Cb 0.30 0.42 -0.05 0.00 0.14 0.00 0.00 62.40 63.21 2mob h SER 100 CO -0.16 -0.26 -1.98 0.52 -1.14 0.00 0.00 176.83 173.81 2mob n VAL 101 N -5.40 1.52 -0.50 2.27 0.31 0.63 -2.82 118.33 114.34 2mob n VAL 101 Ca 0.02 -0.20 0.44 0.00 -0.01 0.00 0.00 64.34 64.59 2mob n VAL 101 Cb 0.31 -2.04 0.79 0.00 -0.91 0.00 0.00 33.84 31.99 2mob n VAL 101 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 2mob h TYR 102 N -1.00 0.00 0.09 3.52 3.20 -0.99 1.15 116.97 122.94 2mob h TYR 102 Ca -0.47 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.22 2mob h TYR 102 Cb 1.39 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.67 2mob h TYR 102 CO -0.18 -0.00 -0.90 0.22 -1.64 0.00 0.00 178.16 175.66 2mob h ASP 103 N 0.00 0.29 -0.84 -2.11 3.58 -1.38 -2.90 116.42 113.06 2mob h ASP 103 Ca 0.74 -0.88 -0.01 0.00 0.42 0.00 0.00 57.03 57.30 2mob h ASP 103 Cb 2.97 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 43.89 2mob h ASP 103 CO -0.01 1.40 0.51 0.17 -2.88 0.00 0.00 179.24 178.43 2mob h LEU 104 N -0.54 1.01 -0.32 2.28 8.10 0.94 0.20 115.31 126.98 2mob h LEU 104 Ca -0.19 -0.07 -0.01 0.00 0.11 0.00 0.00 57.88 57.73 2mob h LEU 104 Cb 1.52 -0.26 -0.02 0.00 -0.44 0.00 0.00 40.66 41.47 2mob h LEU 104 CO 0.05 0.78 0.18 -0.07 -4.11 0.00 0.00 178.44 175.27 2mob h LEU 105 N 1.16 0.40 -0.46 0.17 3.38 0.78 2.45 115.31 123.19 2mob h LEU 105 Ca 0.30 -0.09 -0.17 0.00 0.09 0.00 0.00 57.88 58.01 2mob h LEU 105 Cb -0.04 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2mob h LEU 105 CO -0.06 0.37 -0.74 0.40 0.09 0.00 0.00 178.44 178.51 2mob h ILE 106 N 0.40 1.43 0.12 1.22 2.04 -1.27 -3.18 117.51 118.27 2mob h ILE 106 Ca 0.11 -2.28 -0.36 0.00 1.00 0.00 0.00 64.86 63.34 2mob h ILE 106 Cb 0.06 2.22 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 2mob h ILE 106 CO -0.02 0.67 -1.96 -0.46 0.00 0.00 0.00 178.15 176.38 2mob n ASN 107 N -3.78 2.11 0.00 1.72 0.23 0.68 -3.89 115.26 112.33 2mob n ASN 107 Ca -0.03 0.22 0.04 0.00 -0.53 0.00 0.00 54.58 54.28 2mob n ASN 107 Cb 0.71 -0.87 0.23 0.00 -2.08 0.00 0.00 39.78 37.78 2mob n ASN 107 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 2mob n VAL 108 N -3.55 0.00 -0.44 3.53 3.14 0.82 -3.85 118.33 117.99 2mob n VAL 108 Ca -0.32 0.00 0.35 0.00 -2.96 0.00 0.00 64.34 61.41 2mob n VAL 108 Cb 1.02 -0.77 0.57 0.00 -1.06 0.00 0.00 33.84 33.60 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 -0.92 0.10 -1.80 6.55 2.88 -1.20 0.37 113.62 119.60 2mob n SER 109 Ca 0.06 0.96 -0.14 0.00 -1.33 0.00 0.00 58.87 58.43 2mob n SER 109 Cb 0.03 -0.48 0.04 0.00 -0.75 0.00 0.00 64.21 63.05 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 -3.96 6.05 0.03 -3.46 3.41 -1.25 -4.49 113.62 109.94 2mob n SER 110 Ca 0.33 -2.94 0.03 0.00 -0.26 0.00 0.00 58.87 56.02 2mob n SER 110 Cb 1.35 -1.03 0.13 0.00 -0.26 0.00 0.00 64.21 64.40 2mob n SER 110 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2mob n THR 111 N 0.47 1.76 0.00 6.66 5.66 1.17 -4.61 114.28 125.39 2mob n THR 111 Ca 0.25 0.53 0.00 0.00 -3.05 0.00 0.00 64.05 61.78 2mob n THR 111 Cb 0.60 -1.51 0.00 0.00 -1.55 0.00 0.00 70.33 67.86 2mob n THR 111 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 2mob n VAL 112 N -1.65 0.00 -1.28 1.08 0.24 -1.26 0.14 118.33 115.60 2mob n VAL 112 Ca -0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.06 2mob n VAL 112 Cb 0.02 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.29 2mob n VAL 112 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2mob n GLY 113 N 0.00 3.79 0.30 7.63 0.00 -1.26 -4.97 105.19 110.68 2mob n GLY 113 Ca 0.00 -1.51 0.03 0.00 0.00 0.00 0.00 46.02 44.54 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 2.25 -0.52 -3.54 1.61 0.63 0.37 -3.42 116.66 114.04 2mob n ARG 114 Ca 0.53 0.35 -0.23 0.00 -0.92 0.00 0.00 57.85 57.58 2mob n ARG 114 Cb 0.63 -0.68 -0.15 0.00 0.45 0.00 0.00 32.46 32.71 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 -1.41 0.13 -0.13 5.13 0.00 -1.26 -3.91 121.76 120.31 2mob s ALA 115 Ca 0.00 -0.21 -0.29 0.00 0.00 0.00 0.00 51.96 51.45 2mob s ALA 115 Cb 0.00 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 2mob s ALA 115 CO 0.00 -1.29 1.57 -0.47 0.00 0.00 0.00 175.76 175.56 2mob s TYR 116 N 2.22 2.19 0.51 0.00 5.04 0.12 -4.58 117.35 122.85 2mob s TYR 116 Ca 0.05 0.47 -0.10 0.00 -2.44 0.00 0.00 57.07 55.05 2mob s TYR 116 Cb -0.16 -3.85 -0.05 0.00 0.35 0.00 0.00 41.96 38.25 2mob s TYR 116 CO -0.16 -3.14 0.88 -0.08 -1.34 0.00 0.00 175.55 171.71 2mob s THR 117 N 4.31 4.77 -0.38 4.34 -1.32 -1.26 -0.17 115.64 125.92 2mob s THR 117 Ca 0.69 0.64 0.13 0.00 -1.21 0.00 0.00 61.69 61.93 2mob s THR 117 Cb -0.28 -3.82 0.40 0.00 -1.51 0.00 0.00 72.50 67.29 2mob s THR 117 CO 0.26 -0.85 0.89 -0.11 -2.21 0.00 0.00 174.62 172.61 2mob n LEU 118 N -2.11 2.00 0.00 9.08 0.00 0.82 -4.86 117.00 121.94 2mob n LEU 118 Ca 0.03 -4.60 0.00 0.00 0.00 0.00 0.00 56.01 51.45 2mob n LEU 118 Cb 0.54 0.30 0.00 0.00 0.00 0.00 0.00 43.42 44.27 2mob n LEU 118 CO 0.53 2.00 0.00 0.61 0.00 0.00 0.00 177.39 180.53 2mob n GLY 119 N -0.02 0.33 0.01 -3.96 0.00 -1.26 -2.69 105.19 97.60 2mob n GLY 119 Ca 0.21 -0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.23 2mob n GLY 119 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2mob n THR 120 N 0.00 0.15 -3.99 2.61 -1.04 -1.26 -5.04 114.28 105.70 2mob n THR 120 Ca 0.00 -0.18 -0.11 0.00 -2.04 0.00 0.00 64.05 61.72 2mob n THR 120 Cb 0.00 -0.09 -0.12 0.00 -1.82 0.00 0.00 70.33 68.30 2mob n THR 120 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2mob s LYS 121 N -2.32 0.31 0.43 -2.82 2.20 -1.10 -3.84 119.74 112.61 2mob s LYS 121 Ca -0.02 -0.49 0.02 0.00 -0.36 0.00 0.00 55.97 55.11 2mob s LYS 121 Cb 0.03 -0.05 0.02 0.00 -1.51 0.00 0.00 37.83 36.32 2mob s LYS 121 CO 0.25 -0.00 0.13 1.97 -0.36 0.00 0.00 175.35 177.33 2mob n PHE 122 N 1.96 0.30 -3.66 4.03 -1.74 -0.09 0.29 117.46 118.55 2mob n PHE 122 Ca -0.21 -2.01 -0.14 0.00 -0.56 0.00 0.00 57.45 54.53 2mob n PHE 122 Cb 0.56 -0.31 -0.08 0.00 1.52 0.00 0.00 39.48 41.17 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 -2.41 0.00 -0.15 1.97 -1.32 0.76 -2.22 115.64 112.27 2mob s THR 123 Ca 0.10 -0.02 -0.02 0.00 -1.21 0.00 0.00 61.69 60.54 2mob s THR 123 Cb -0.01 -0.83 -0.02 0.00 -1.51 0.00 0.00 72.50 70.13 2mob s THR 123 CO 0.06 -0.01 -0.08 -0.63 -2.21 0.00 0.00 174.62 171.76 2mob s ILE 124 N 0.12 3.52 0.00 5.08 1.09 -0.81 0.14 121.20 130.35 2mob s ILE 124 Ca -0.01 -0.49 0.00 0.00 -1.10 0.00 0.00 60.65 59.04 2mob s ILE 124 Cb -0.04 -2.52 0.00 0.00 -1.06 0.00 0.00 42.46 38.84 2mob s ILE 124 CO 0.02 0.50 0.00 1.07 -0.10 0.00 0.00 174.94 176.43 2mob n THR 125 N 3.56 0.00 0.00 2.92 5.66 -1.22 -1.82 114.28 123.38 2mob n THR 125 Ca -0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 2mob n THR 125 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 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 -2.26 0.00 -4.41 1.09 2.88 -1.25 -4.10 113.62 105.58 2mob n SER 126 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 2mob n SER 126 Cb 0.00 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 63.59 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 -0.08 -0.53 0.00 -1.46 1.02 -1.26 -5.06 120.64 113.27 2mob n GLU 127 Ca 0.00 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 2mob n GLU 127 Cb 0.00 -1.86 0.00 0.00 -0.02 0.00 0.00 31.44 29.56 2mob n GLU 127 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59