#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctt s SER 2 N 0.00 -0.63 -0.78 1.61 0.01 -1.26 -4.96 113.70 107.69 2ctt s SER 2 Ca 0.00 0.60 -0.04 0.00 1.31 0.00 0.00 55.95 57.82 2ctt s SER 2 Cb 0.00 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.77 2ctt s SER 2 CO 0.00 -0.64 0.67 -0.24 0.41 0.00 0.00 173.24 173.44 2ctt n SER 3 N 0.72 -4.03 -4.72 2.44 2.88 -1.26 -4.98 113.62 104.68 2ctt n SER 3 Ca -0.18 -0.33 -0.34 0.00 -1.33 0.00 0.00 58.87 56.69 2ctt n SER 3 Cb 0.58 -3.17 0.10 0.00 -0.75 0.00 0.00 64.21 60.97 2ctt n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ctt s GLY 4 N -3.32 2.28 0.08 0.46 0.00 -1.26 -5.02 107.32 100.53 2ctt s GLY 4 Ca 0.27 0.86 -0.26 0.00 0.00 0.00 0.00 44.72 45.59 2ctt s GLY 4 CO 0.43 1.27 1.15 -1.35 0.00 0.00 0.00 173.10 174.60 2ctt s SER 5 N -2.10 -0.02 0.45 1.64 1.04 -1.26 -5.19 113.70 108.26 2ctt s SER 5 Ca 0.74 -0.41 0.03 0.00 0.48 0.00 0.00 55.95 56.78 2ctt s SER 5 Cb -0.29 0.33 -0.02 0.00 0.10 0.00 0.00 66.02 66.14 2ctt s SER 5 CO 0.47 -0.64 0.08 -0.44 0.98 0.00 0.00 173.24 173.69 2ctt s SER 6 N -3.45 3.34 0.00 7.02 0.01 -1.26 -5.17 113.70 114.19 2ctt s SER 6 Ca 0.23 -1.66 0.00 0.00 1.31 0.00 0.00 55.95 55.83 2ctt s SER 6 Cb -0.01 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.71 2ctt s SER 6 CO 0.02 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.39 2ctt n GLY 7 N -1.05 3.63 3.56 3.44 0.00 -1.26 -5.16 105.19 108.35 2ctt n GLY 7 Ca -0.11 -2.02 -0.13 0.00 0.00 0.00 0.00 46.02 43.76 2ctt n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2ctt s MET 8 N 2.51 1.96 0.50 1.61 -2.45 -1.26 -5.19 119.30 116.98 2ctt s MET 8 Ca 0.00 -1.66 0.05 0.00 -1.25 0.00 0.00 55.69 52.83 2ctt s MET 8 Cb 0.00 0.48 0.00 0.00 1.25 0.00 0.00 34.83 36.57 2ctt s MET 8 CO 0.00 -0.84 0.25 -1.21 1.05 0.00 0.00 175.02 174.27 2ctt s GLU 9 N -2.97 2.24 0.41 4.11 2.02 -1.26 -5.16 118.70 118.09 2ctt s GLU 9 Ca 0.27 -2.08 0.04 0.00 0.02 0.00 0.00 54.97 53.22 2ctt s GLU 9 Cb -0.01 -1.93 -0.03 0.00 0.10 0.00 0.00 34.13 32.26 2ctt s GLU 9 CO 0.18 -0.43 0.11 -0.51 0.02 0.00 0.00 175.26 174.62 2ctt s LEU 10 N -4.09 2.04 0.02 1.80 1.43 -1.26 -5.17 118.68 113.45 2ctt s LEU 10 Ca 0.28 -1.63 -0.11 0.00 -1.03 0.00 0.00 54.13 51.64 2ctt s LEU 10 Cb 0.00 -0.20 0.01 0.00 0.03 0.00 0.00 46.19 46.03 2ctt s LEU 10 CO 0.17 -0.88 0.22 0.28 0.23 0.00 0.00 176.35 176.37 2ctt s THR 11 N -3.19 0.09 0.44 5.49 -1.32 -1.26 -5.18 115.64 110.71 2ctt s THR 11 Ca 0.24 -0.72 0.06 0.00 -1.21 0.00 0.00 61.69 60.05 2ctt s THR 11 Cb 0.03 -0.74 -0.05 0.00 -1.51 0.00 0.00 72.50 70.24 2ctt s THR 11 CO 0.14 -0.40 0.12 -0.36 -2.21 0.00 0.00 174.62 171.91 2ctt s PHE 12 N -2.01 2.36 0.34 9.09 0.40 -1.26 -5.16 117.98 121.73 2ctt s PHE 12 Ca -0.09 -0.70 0.05 0.00 -0.60 0.00 0.00 56.93 55.58 2ctt s PHE 12 Cb -0.03 -1.84 -0.03 0.00 0.51 0.00 0.00 43.02 41.62 2ctt s PHE 12 CO -0.01 0.21 0.20 1.21 0.70 0.00 0.00 175.22 177.53 2ctt s ASN 13 N -3.88 1.84 0.45 1.36 3.84 -1.26 -5.18 114.94 112.11 2ctt s ASN 13 Ca 0.32 -1.66 0.03 0.00 0.21 0.00 0.00 52.86 51.76 2ctt s ASN 13 Cb 0.05 0.48 -0.02 0.00 -0.55 0.00 0.00 41.25 41.21 2ctt s ASN 13 CO 0.18 -0.96 0.09 -1.10 -2.79 0.00 0.00 177.10 172.51 2ctt s GLN 14 N -3.67 2.04 0.18 0.43 -1.52 -1.26 -5.18 119.66 110.69 2ctt s GLN 14 Ca 0.35 -2.27 -0.03 0.00 -1.95 0.00 0.00 55.36 51.46 2ctt s GLN 14 Cb 0.03 -0.94 -0.03 0.00 -0.22 0.00 0.00 33.01 31.85 2ctt s GLN 14 CO 0.20 -0.45 0.15 0.00 -0.25 0.00 0.00 175.29 174.95 2ctt s ALA 15 N -3.08 0.84 0.28 6.09 0.00 -1.26 -5.18 121.76 119.45 2ctt s ALA 15 Ca 0.17 -1.48 0.03 0.00 0.00 0.00 0.00 51.96 50.67 2ctt s ALA 15 Cb 0.02 1.15 -0.04 0.00 0.00 0.00 0.00 23.12 24.25 2ctt s ALA 15 CO 0.10 -0.59 0.17 0.00 0.00 0.00 0.00 175.76 175.45 2ctt s ALA 16 N -4.09 1.70 -0.07 0.00 0.00 -1.26 -5.18 121.76 112.86 2ctt s ALA 16 Ca 0.31 -1.81 -0.20 0.00 0.00 0.00 0.00 51.96 50.25 2ctt s ALA 16 Cb 0.06 1.29 0.04 0.00 0.00 0.00 0.00 23.12 24.51 2ctt s ALA 16 CO 0.07 -0.56 0.47 -1.59 0.00 0.00 0.00 175.76 174.15 2ctt s LYS 17 N -3.85 0.76 0.07 0.00 0.00 -1.26 -5.18 119.74 110.29 2ctt s LYS 17 Ca 0.38 0.19 -0.11 0.00 0.00 0.00 0.00 55.97 56.43 2ctt s LYS 17 Cb 0.05 0.35 0.01 0.00 0.00 0.00 0.00 37.83 38.24 2ctt s LYS 17 CO 0.18 -0.20 0.25 0.20 0.00 0.00 0.00 175.35 175.78 2ctt s GLY 18 N -0.84 -0.03 -0.05 0.59 0.00 -1.26 -5.17 107.32 100.56 2ctt s GLY 18 Ca -0.09 -0.30 -0.27 0.00 0.00 0.00 0.00 44.72 44.06 2ctt s GLY 18 CO 0.05 -0.51 0.60 0.54 0.00 0.00 0.00 173.10 173.78 2ctt s VAL 19 N -3.24 0.01 -0.25 1.40 0.11 -1.26 -5.17 120.40 112.00 2ctt s VAL 19 Ca -0.00 -0.10 -0.24 0.00 -2.93 0.00 0.00 61.98 58.70 2ctt s VAL 19 Cb 0.02 -0.91 0.07 0.00 -1.53 0.00 0.00 36.38 34.02 2ctt s VAL 19 CO -0.08 -0.06 0.69 0.20 -3.33 0.00 0.00 175.10 172.53 2ctt s ASN 20 N -1.14 -0.72 0.04 3.54 -0.87 -1.26 -5.18 114.94 109.35 2ctt s ASN 20 Ca -0.11 1.35 -0.07 0.00 -1.57 0.00 0.00 52.86 52.47 2ctt s ASN 20 Cb -0.01 1.36 -0.01 0.00 -0.02 0.00 0.00 41.25 42.57 2ctt s ASN 20 CO 0.08 -0.26 0.12 -0.54 -2.57 0.00 0.00 177.10 173.93 2ctt s LYS 21 N 0.27 0.63 -0.09 -0.60 1.02 -1.26 -5.17 119.74 114.54 2ctt s LYS 21 Ca -0.01 -0.74 -0.30 0.00 0.02 0.00 0.00 55.97 54.94 2ctt s LYS 21 Cb -0.05 0.25 0.12 0.00 -0.52 0.00 0.00 37.83 37.63 2ctt s LYS 21 CO 0.01 -0.17 0.98 -1.83 -0.92 0.00 0.00 175.35 173.43 2ctt s GLU 22 N -2.70 0.65 -0.55 1.68 1.03 -1.26 -5.12 118.70 112.43 2ctt s GLU 22 Ca -0.04 -0.11 0.04 0.00 0.03 0.00 0.00 54.97 54.89 2ctt s GLU 22 Cb -0.01 0.30 0.15 0.00 -0.80 0.00 0.00 34.13 33.78 2ctt s GLU 22 CO -0.05 -0.26 0.36 -0.06 -1.33 0.00 0.00 175.26 173.92 2ctt s PHE 23 N -2.26 2.59 -0.04 4.83 0.08 -1.26 -5.07 117.98 116.86 2ctt s PHE 23 Ca 0.03 -2.86 0.00 0.00 0.12 0.00 0.00 56.93 54.22 2ctt s PHE 23 Cb -0.01 -2.15 0.03 0.00 -0.57 0.00 0.00 43.02 40.32 2ctt s PHE 23 CO -0.04 -0.69 -0.01 0.95 -0.10 0.00 0.00 175.22 175.32 2ctt s THR 24 N -0.49 0.28 0.16 0.64 -4.23 -1.26 -5.02 115.64 105.72 2ctt s THR 24 Ca 0.23 0.06 0.13 0.00 -1.18 0.00 0.00 61.69 60.93 2ctt s THR 24 Cb -0.12 -0.37 0.01 0.00 1.34 0.00 0.00 72.50 73.36 2ctt s THR 24 CO -0.10 0.18 1.58 1.62 -0.54 0.00 0.00 174.62 177.36 2ctt h VAL 25 N 6.24 1.23 -4.09 2.29 3.04 -1.98 -3.45 116.25 119.52 2ctt h VAL 25 Ca -0.37 -2.14 -0.47 0.00 -1.01 0.00 0.00 66.70 62.72 2ctt h VAL 25 Cb 1.14 2.22 0.02 0.00 -2.01 0.00 0.00 31.29 32.66 2ctt h VAL 25 CO 0.43 0.57 0.38 0.20 -1.01 0.00 0.00 177.57 178.14 2ctt s ASN 26 N -6.64 6.37 -0.76 3.17 -0.87 -1.26 -4.87 114.94 110.08 2ctt s ASN 26 Ca 0.00 1.86 -0.27 0.00 -1.57 0.00 0.00 52.86 52.88 2ctt s ASN 26 Cb 0.11 -2.55 -0.16 0.00 -0.02 0.00 0.00 41.25 38.63 2ctt s ASN 26 CO 0.74 -0.76 2.52 -0.38 -2.57 0.00 0.00 177.10 176.65 2ctt n ILE 27 N -1.09 -0.04 -3.69 0.60 5.41 -1.26 -4.87 119.36 114.42 2ctt n ILE 27 Ca 0.09 -0.43 -0.16 0.00 1.00 0.00 0.00 62.75 63.24 2ctt n ILE 27 Cb 0.53 -1.60 -0.16 0.00 -0.71 0.00 0.00 39.64 37.70 2ctt n ILE 27 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 2ctt s MET 28 N 8.54 0.04 0.34 0.38 -1.94 -1.26 -4.34 119.30 121.06 2ctt s MET 28 Ca 1.16 0.50 -0.05 0.00 -1.71 0.00 0.00 55.69 55.59 2ctt s MET 28 Cb -0.66 -0.27 0.01 0.00 2.01 0.00 0.00 34.83 35.92 2ctt s MET 28 CO 0.36 -0.27 0.51 -0.51 -0.01 0.00 0.00 175.02 175.10 2ctt s ASP 29 N 2.01 0.76 0.17 3.03 1.01 -0.84 -4.94 116.67 117.87 2ctt s ASP 29 Ca 0.00 -1.42 -0.32 0.00 0.71 0.00 0.00 52.55 51.53 2ctt s ASP 29 Cb -0.12 0.68 -0.10 0.00 1.01 0.00 0.00 42.92 44.39 2ctt s ASP 29 CO -0.06 -1.34 1.57 -0.89 0.21 0.00 0.00 175.17 174.67 2ctt s THR 30 N -3.01 2.58 0.87 -1.27 2.01 -1.26 -0.44 115.64 115.13 2ctt s THR 30 Ca 0.28 0.42 -0.15 0.00 0.31 0.00 0.00 61.69 62.55 2ctt s THR 30 Cb -0.01 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 2ctt s THR 30 CO 0.19 0.03 0.11 0.00 -0.69 0.00 0.00 174.62 174.26 2ctt n GLU 32 N -0.21 2.34 -0.07 0.00 -0.58 -1.26 -3.30 120.64 117.55 2ctt n GLU 32 Ca 0.06 -0.01 -0.12 0.00 -0.42 0.00 0.00 57.16 56.66 2ctt n GLU 32 Cb 0.53 -1.22 -0.05 0.00 -0.57 0.00 0.00 31.44 30.12 2ctt n GLU 32 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 2ctt h ARG 33 N 0.00 0.42 -0.00 3.49 2.43 -1.96 -3.27 114.38 115.47 2ctt h ARG 33 Ca -0.21 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 2ctt h ARG 33 Cb 1.41 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.94 2ctt h ARG 33 CO 0.01 0.68 -0.65 0.00 -1.51 0.00 0.00 179.97 178.50 2ctt n ASN 35 N -1.03 -5.90 -1.24 0.00 5.03 -1.21 -2.33 115.26 108.58 2ctt n ASN 35 Ca 0.04 -0.45 -0.09 0.00 0.87 0.00 0.00 54.58 54.95 2ctt n ASN 35 Cb 0.28 -4.55 0.01 0.00 -1.02 0.00 0.00 39.78 34.50 2ctt n ASN 35 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2ctt n GLY 36 N -1.79 0.10 0.28 7.41 0.00 -1.22 -4.88 105.19 105.08 2ctt n GLY 36 Ca -0.01 -0.45 -0.19 0.00 0.00 0.00 0.00 46.02 45.38 2ctt n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ctt n LYS 37 N -2.01 0.47 0.00 1.61 4.76 -0.99 -4.88 118.16 117.12 2ctt n LYS 37 Ca -0.07 0.20 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 2ctt n LYS 37 Cb 0.56 -1.30 0.00 0.00 -1.84 0.00 0.00 35.03 32.45 2ctt n LYS 37 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ctt n GLY 38 N 1.65 1.63 3.25 0.72 0.00 -1.26 -4.89 105.19 106.28 2ctt n GLY 38 Ca -0.33 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 2ctt n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ctt s ASN 39 N -2.00 -0.16 0.34 1.61 4.22 -1.26 -3.38 114.94 114.30 2ctt s ASN 39 Ca 0.00 -0.08 -0.29 0.00 -2.14 0.00 0.00 52.86 50.36 2ctt s ASN 39 Cb 0.00 0.34 -0.11 0.00 1.28 0.00 0.00 41.25 42.77 2ctt s ASN 39 CO 0.00 -0.55 1.44 -1.61 -2.04 0.00 0.00 177.10 174.34 2ctt s GLU 40 N -2.09 4.20 0.00 3.55 8.01 -1.19 -4.36 118.70 126.83 2ctt s GLU 40 Ca -0.08 2.44 0.00 0.00 0.01 0.00 0.00 54.97 57.34 2ctt s GLU 40 Cb -0.02 -3.02 0.00 0.00 -4.31 0.00 0.00 34.13 26.77 2ctt s GLU 40 CO -0.00 -0.43 0.31 -0.35 0.01 0.00 0.00 175.26 174.80 2ctt n PRO 41 N 1.00 0.49 0.00 0.39 -0.04 -1.26 -2.04 135.00 133.55 2ctt n PRO 41 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2ctt n PRO 41 Cb 0.40 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 2ctt n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ctt n GLY 42 N 0.18 0.93 3.96 0.55 0.00 -1.26 -5.10 105.19 104.45 2ctt n GLY 42 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2ctt n GLY 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ctt s THR 43 N -0.03 4.71 0.41 2.61 -4.23 -0.86 -5.12 115.64 113.13 2ctt s THR 43 Ca 0.00 -0.77 -0.00 0.00 -1.18 0.00 0.00 61.69 59.74 2ctt s THR 43 Cb 0.00 -3.68 0.08 0.00 1.34 0.00 0.00 72.50 70.24 2ctt s THR 43 CO 0.00 -0.35 0.57 0.29 -0.54 0.00 0.00 174.62 174.59 2ctt n LYS 44 N -1.68 0.19 -3.84 3.99 5.02 -1.26 -4.87 118.16 115.69 2ctt n LYS 44 Ca -0.04 -1.53 -0.12 0.00 -2.02 0.00 0.00 58.31 54.61 2ctt n LYS 44 Cb 0.57 -0.38 -0.10 0.00 -0.02 0.00 0.00 35.03 35.10 2ctt n LYS 44 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2ctt s VAL 45 N -1.66 0.07 -0.19 -0.18 1.01 -1.26 -4.21 120.40 113.98 2ctt s VAL 45 Ca 0.38 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.73 2ctt s VAL 45 Cb -0.02 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 2ctt s VAL 45 CO 0.25 -0.33 -0.06 -1.10 0.00 0.00 0.00 175.10 173.86 2ctt s GLN 46 N -1.27 3.42 0.12 2.72 -0.21 -0.86 -4.97 119.66 118.61 2ctt s GLN 46 Ca -0.13 -0.62 -0.34 0.00 0.02 0.00 0.00 55.36 54.28 2ctt s GLN 46 Cb -0.07 -2.92 -0.14 0.00 1.00 0.00 0.00 33.01 30.89 2ctt s GLN 46 CO 0.02 -0.05 1.62 1.58 -2.12 0.00 0.00 175.29 176.34 2ctt n HIS 47 N 4.36 2.27 -2.79 0.91 -0.00 -1.26 -0.11 115.22 118.60 2ctt n HIS 47 Ca -0.18 0.23 -0.32 0.00 -0.00 0.00 0.00 57.72 57.45 2ctt n HIS 47 Cb 0.51 -2.56 -0.05 0.00 -0.00 0.00 0.00 29.99 27.89 2ctt n HIS 47 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2ctt n HIS 49 N -0.93 0.00 -0.19 0.00 -0.00 -1.26 -3.52 115.22 109.32 2ctt n HIS 49 Ca 0.05 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.72 2ctt n HIS 49 Cb 0.54 -0.66 -0.04 0.00 -0.00 0.00 0.00 29.99 29.82 2ctt n HIS 49 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2ctt n TYR 50 N -3.26 -0.20 -0.01 1.57 4.02 -1.26 -2.26 117.16 115.76 2ctt n TYR 50 Ca -0.32 0.56 -0.15 0.00 -0.01 0.00 0.00 57.90 57.98 2ctt n TYR 50 Cb 0.81 -0.49 -0.14 0.00 -0.02 0.00 0.00 39.34 39.49 2ctt n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2ctt n GLY 52 N 1.79 0.57 0.02 0.00 0.00 -0.96 -3.96 105.19 102.64 2ctt n GLY 52 Ca -0.25 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.05 2ctt n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ctt n GLY 53 N -2.71 1.34 0.00 -0.02 0.00 -1.23 -4.97 105.19 97.61 2ctt n GLY 53 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.03 2ctt n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ctt n SER 54 N 0.02 4.02 -1.35 1.61 3.41 -1.25 -4.79 113.62 115.29 2ctt n SER 54 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 2ctt n SER 54 Cb 0.00 1.18 0.02 0.00 -0.26 0.00 0.00 64.21 65.15 2ctt n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ctt n GLY 55 N 2.27 0.24 3.12 5.00 0.00 -1.26 -4.92 105.19 109.64 2ctt n GLY 55 Ca -0.01 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 2ctt n GLY 55 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2ctt s MET 56 N -5.03 0.27 0.13 1.61 -2.45 -1.26 -4.04 119.30 108.54 2ctt s MET 56 Ca 0.13 0.43 0.09 0.00 -1.25 0.00 0.00 55.69 55.08 2ctt s MET 56 Cb -0.06 0.06 -0.04 0.00 1.25 0.00 0.00 34.83 36.04 2ctt s MET 56 CO 0.16 -0.08 -0.15 -2.00 1.05 0.00 0.00 175.02 173.99 2ctt s GLU 57 N 0.54 1.87 -0.08 4.11 2.56 -0.01 -4.09 118.70 123.60 2ctt s GLU 57 Ca -0.03 -1.20 0.04 0.00 0.00 0.00 0.00 54.97 53.78 2ctt s GLU 57 Cb -0.05 -2.13 0.00 0.00 2.00 0.00 0.00 34.13 33.95 2ctt s GLU 57 CO -0.03 0.47 -0.21 0.99 -0.56 0.00 0.00 175.26 175.92 2ctt s THR 58 N -1.30 1.84 -0.44 -1.70 2.01 -1.26 -2.29 115.64 112.50 2ctt s THR 58 Ca 0.20 -0.91 -0.10 0.00 0.31 0.00 0.00 61.69 61.19 2ctt s THR 58 Cb -0.10 -1.59 0.08 0.00 0.01 0.00 0.00 72.50 70.90 2ctt s THR 58 CO 0.12 0.51 0.30 -0.63 -0.69 0.00 0.00 174.62 174.22 2ctt s ILE 59 N 0.29 4.39 -0.76 1.82 1.09 -1.05 -4.98 121.20 122.00 2ctt s ILE 59 Ca -0.14 -1.41 -0.25 0.00 -1.10 0.00 0.00 60.65 57.75 2ctt s ILE 59 Cb -0.16 -3.71 0.05 0.00 -1.06 0.00 0.00 42.46 37.58 2ctt s ILE 59 CO 0.07 -0.56 1.20 0.20 -0.10 0.00 0.00 174.94 175.74 2ctt s ASN 60 N 2.29 6.23 -0.16 3.58 0.02 -1.26 -1.54 114.94 124.09 2ctt s ASN 60 Ca 0.04 -0.80 0.00 0.00 -1.02 0.00 0.00 52.86 51.07 2ctt s ASN 60 Cb -0.24 -2.51 0.03 0.00 0.02 0.00 0.00 41.25 38.55 2ctt s ASN 60 CO 0.02 -1.65 -0.11 0.28 0.02 0.00 0.00 177.10 175.67 2ctt s THR 61 N 5.00 1.49 0.00 1.60 -1.32 -1.03 -5.04 115.64 116.34 2ctt s THR 61 Ca 0.32 -0.71 0.00 0.00 -1.21 0.00 0.00 61.69 60.09 2ctt s THR 61 Cb -0.10 -1.49 0.00 0.00 -1.51 0.00 0.00 72.50 69.41 2ctt s THR 61 CO 0.10 0.32 0.00 0.61 -2.21 0.00 0.00 174.62 173.44 2ctt n GLY 62 N 4.77 0.90 0.00 6.08 0.00 -1.26 -2.16 105.19 113.52 2ctt n GLY 62 Ca -0.15 -0.74 0.06 0.00 0.00 0.00 0.00 46.02 45.18 2ctt n GLY 62 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ctt n PRO 63 N 0.00 0.49 -4.57 1.61 -0.04 -1.26 -4.73 135.00 126.49 2ctt n PRO 63 Ca 0.00 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.20 2ctt n PRO 63 Cb 0.00 -1.37 -0.10 0.00 -0.04 0.00 0.00 33.50 31.99 2ctt n PRO 63 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2ctt s PHE 64 N -2.00 2.17 -0.03 0.54 -0.71 -0.92 -5.16 117.98 111.86 2ctt s PHE 64 Ca 0.17 -0.87 -0.07 0.00 -1.04 0.00 0.00 56.93 55.13 2ctt s PHE 64 Cb 0.08 -1.53 0.01 0.00 -1.21 0.00 0.00 43.02 40.37 2ctt s PHE 64 CO 0.13 0.20 0.16 0.08 -1.34 0.00 0.00 175.22 174.45 2ctt s VAL 65 N -2.99 0.04 0.46 -2.49 1.01 -1.26 -2.45 120.40 112.72 2ctt s VAL 65 Ca 0.30 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 62.01 2ctt s VAL 65 Cb 0.08 -0.35 -0.01 0.00 0.00 0.00 0.00 36.38 36.10 2ctt s VAL 65 CO 0.15 -0.19 0.37 -0.04 0.00 0.00 0.00 175.10 175.39 2ctt s MET 66 N -0.65 2.39 -0.11 2.72 -1.94 -0.59 -4.97 119.30 116.15 2ctt s MET 66 Ca -0.07 -1.73 -0.03 0.00 -1.71 0.00 0.00 55.69 52.15 2ctt s MET 66 Cb -0.04 -2.24 0.04 0.00 2.01 0.00 0.00 34.83 34.60 2ctt s MET 66 CO 0.01 -0.33 0.05 1.03 -0.01 0.00 0.00 175.02 175.77 2ctt s ARG 67 N -4.16 0.29 0.02 2.03 1.81 -1.26 -2.54 118.95 115.14 2ctt s ARG 67 Ca 0.44 0.02 0.01 0.00 -1.72 0.00 0.00 55.73 54.47 2ctt s ARG 67 Cb -0.02 -1.32 -0.01 0.00 -0.45 0.00 0.00 34.95 33.15 2ctt s ARG 67 CO 0.26 -0.48 -0.04 0.45 -0.68 0.00 0.00 175.30 174.81 2ctt s SER 68 N 2.05 0.43 0.41 0.23 0.15 -0.97 -5.03 113.70 110.97 2ctt s SER 68 Ca 0.03 -0.33 -0.26 0.00 0.70 0.00 0.00 55.95 56.09 2ctt s SER 68 Cb -0.14 0.03 -0.10 0.00 -1.71 0.00 0.00 66.02 64.10 2ctt s SER 68 CO -0.06 -0.14 1.35 0.41 1.20 0.00 0.00 173.24 176.00 2ctt n THR 69 N 2.14 2.47 -1.64 6.45 -1.04 -1.26 -0.83 114.28 120.57 2ctt n THR 69 Ca -0.19 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.05 60.91 2ctt n THR 69 Cb 0.57 -1.71 0.01 0.00 -1.82 0.00 0.00 70.33 67.38 2ctt n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ctt n ARG 71 N 0.04 0.92 -0.10 0.00 0.00 -1.26 -3.15 116.66 113.11 2ctt n ARG 71 Ca 0.09 -0.08 -0.12 0.00 -0.00 0.00 0.00 57.85 57.74 2ctt n ARG 71 Cb 0.40 -1.28 -0.04 0.00 -0.00 0.00 0.00 32.46 31.54 2ctt n ARG 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ctt h ARG 72 N 0.00 0.63 0.00 2.89 2.47 -1.99 -3.36 114.38 115.02 2ctt h ARG 72 Ca -0.09 -0.27 -0.31 0.00 -1.26 0.00 0.00 59.98 58.05 2ctt h ARG 72 Cb 0.88 -0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 29.13 2ctt h ARG 72 CO 0.00 0.85 -2.17 0.00 0.56 0.00 0.00 179.97 179.22 2ctt n GLY 74 N 2.38 1.89 2.01 0.00 0.00 -1.19 -4.47 105.19 105.82 2ctt n GLY 74 Ca -0.34 -0.01 -0.05 0.00 0.00 0.00 0.00 46.02 45.62 2ctt n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ctt n GLY 75 N -0.91 0.49 0.00 -0.02 0.00 -1.23 -4.93 105.19 98.61 2ctt n GLY 75 Ca 0.00 -0.52 -0.00 0.00 0.00 0.00 0.00 46.02 45.50 2ctt n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2ctt n ARG 76 N -1.52 2.40 0.00 1.61 0.63 -1.26 -4.73 116.66 113.78 2ctt n ARG 76 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 2ctt n ARG 76 Cb 0.52 -1.00 0.00 0.00 0.45 0.00 0.00 32.46 32.43 2ctt n ARG 76 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2ctt n GLY 77 N 3.19 1.08 3.37 5.14 0.00 -1.26 -4.75 105.19 111.96 2ctt n GLY 77 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2ctt n GLY 77 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctt s SER 78 N -1.93 -0.16 -0.20 1.61 0.01 -1.26 -1.87 113.70 109.90 2ctt s SER 78 Ca 0.00 -0.49 -0.16 0.00 1.31 0.00 0.00 55.95 56.61 2ctt s SER 78 Cb 0.00 0.49 -0.04 0.00 0.21 0.00 0.00 66.02 66.68 2ctt s SER 78 CO 0.00 -0.91 0.41 -0.63 0.41 0.00 0.00 173.24 172.52 2ctt s ILE 79 N -3.86 5.19 -0.59 1.44 1.09 0.84 -4.57 121.20 120.75 2ctt s ILE 79 Ca 0.07 0.73 -0.24 0.00 -1.10 0.00 0.00 60.65 60.11 2ctt s ILE 79 Cb 0.01 -3.74 0.05 0.00 -1.06 0.00 0.00 42.46 37.72 2ctt s ILE 79 CO -0.07 0.24 0.97 -0.63 -0.10 0.00 0.00 174.94 175.35 2ctt s ILE 80 N 1.34 4.33 0.31 2.92 1.01 -1.26 -2.03 121.20 127.81 2ctt s ILE 80 Ca 0.19 0.15 0.04 0.00 0.00 0.00 0.00 60.65 61.04 2ctt s ILE 80 Cb -0.15 -4.60 0.30 0.00 0.01 0.00 0.00 42.46 38.02 2ctt s ILE 80 CO 0.08 -1.24 1.83 0.40 0.00 0.00 0.00 174.94 176.02 2ctt h ILE 81 N 6.01 0.85 -3.29 2.92 5.03 -1.97 -3.37 117.51 123.70 2ctt h ILE 81 Ca -0.27 -0.30 -0.52 0.00 -0.12 0.00 0.00 64.86 63.66 2ctt h ILE 81 Cb 1.07 -0.09 -0.40 0.00 -3.03 0.00 0.00 36.82 34.38 2ctt h ILE 81 CO 1.12 0.16 -0.77 -0.44 -0.68 0.00 0.00 178.15 177.54 2ctt s SER 82 N -5.66 2.88 0.49 1.72 0.01 -1.26 -5.13 113.70 106.75 2ctt s SER 82 Ca -0.11 -0.79 -0.22 0.00 1.31 0.00 0.00 55.95 56.14 2ctt s SER 82 Cb 0.23 -0.62 -0.07 0.00 0.21 0.00 0.00 66.02 65.77 2ctt s SER 82 CO 0.80 -0.29 1.15 -2.16 0.41 0.00 0.00 173.24 173.15 2ctt s PRO 83 N 1.84 3.59 1.00 12.44 0.04 -1.26 -3.18 135.00 149.47 2ctt s PRO 83 Ca -0.01 1.71 -0.18 0.00 0.04 0.00 0.00 61.00 62.57 2ctt s PRO 83 Cb -0.17 -2.24 -0.14 0.00 0.04 0.00 0.00 34.50 31.99 2ctt s PRO 83 CO -0.08 -0.67 -0.77 0.00 0.04 0.00 0.00 177.00 175.52 2ctt n VAL 85 N -2.68 0.00 -0.10 0.00 0.24 -1.26 -3.37 118.33 111.15 2ctt n VAL 85 Ca -0.01 -0.33 -0.13 0.00 -2.04 0.00 0.00 64.34 61.83 2ctt n VAL 85 Cb 0.57 1.01 -0.11 0.00 -1.47 0.00 0.00 33.84 33.85 2ctt n VAL 85 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 2ctt n VAL 86 N -1.06 1.23 0.25 3.34 0.24 -1.26 -4.64 118.33 116.43 2ctt n VAL 86 Ca 0.02 -0.54 0.04 0.00 -2.04 0.00 0.00 64.34 61.81 2ctt n VAL 86 Cb 0.13 -1.08 -0.05 0.00 -1.47 0.00 0.00 33.84 31.37 2ctt n VAL 86 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ctt n ARG 88 N -1.33 -6.11 -3.10 0.00 3.00 -1.22 -2.19 116.66 105.72 2ctt n ARG 88 Ca 0.01 0.77 -0.21 0.00 -0.01 0.00 0.00 57.85 58.41 2ctt n ARG 88 Cb 0.14 -5.65 0.04 0.00 0.00 0.00 0.00 32.46 26.99 2ctt n ARG 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2ctt n GLY 89 N -1.30 -0.41 0.11 -0.13 0.00 -1.26 -4.80 105.19 97.40 2ctt n GLY 89 Ca -0.28 0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 2ctt n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ctt n ALA 90 N -3.78 1.42 0.00 4.61 0.00 -0.93 -4.92 120.51 116.92 2ctt n ALA 90 Ca -0.07 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.27 2ctt n ALA 90 Cb 0.60 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.71 2ctt n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ctt n GLY 91 N 1.88 0.68 3.09 0.00 0.00 -1.26 -5.03 105.19 104.54 2ctt n GLY 91 Ca -0.33 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 2ctt n GLY 91 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ctt s GLN 92 N -0.81 0.48 0.23 1.61 1.11 -1.26 -2.79 119.66 118.24 2ctt s GLN 92 Ca 0.00 -0.49 -0.11 0.00 0.01 0.00 0.00 55.36 54.77 2ctt s GLN 92 Cb 0.00 0.20 -0.01 0.00 -1.01 0.00 0.00 33.01 32.19 2ctt s GLN 92 CO 0.00 -0.11 0.41 0.00 0.01 0.00 0.00 175.29 175.59 2ctt s ALA 93 N -1.62 0.01 -0.41 6.09 0.00 0.42 -4.65 121.76 121.60 2ctt s ALA 93 Ca -0.13 -1.02 -0.29 0.00 0.00 0.00 0.00 51.96 50.52 2ctt s ALA 93 Cb -0.07 1.11 0.01 0.00 0.00 0.00 0.00 23.12 24.18 2ctt s ALA 93 CO 0.00 -0.80 1.42 0.15 0.00 0.00 0.00 175.76 176.53 2ctt s LYS 94 N -4.04 3.57 -0.68 0.00 1.02 -1.26 -1.98 119.74 116.38 2ctt s LYS 94 Ca 0.25 0.95 -0.05 0.00 0.02 0.00 0.00 55.97 57.14 2ctt s LYS 94 Cb 0.01 -4.03 0.18 0.00 -0.52 0.00 0.00 37.83 33.47 2ctt s LYS 94 CO 0.09 -1.57 0.52 -0.65 -0.92 0.00 0.00 175.35 172.82 2ctt s GLN 95 N 4.94 2.81 0.37 1.68 1.11 -1.26 -4.99 119.66 124.32 2ctt s GLN 95 Ca 0.61 -2.56 -0.23 0.00 0.01 0.00 0.00 55.36 53.20 2ctt s GLN 95 Cb -0.14 -3.88 -0.15 0.00 -1.01 0.00 0.00 33.01 27.83 2ctt s GLN 95 CO 0.32 -1.20 0.36 1.63 0.01 0.00 0.00 175.29 176.41 2ctt n LYS 96 N 3.52 0.25 -2.82 2.91 5.02 -1.26 -4.86 118.16 120.92 2ctt n LYS 96 Ca 0.10 0.09 -0.41 0.00 -2.02 0.00 0.00 58.31 56.06 2ctt n LYS 96 Cb 0.40 -1.21 -0.03 0.00 -0.02 0.00 0.00 35.03 34.16 2ctt n LYS 96 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2ctt s LYS 97 N -1.23 4.46 0.05 1.97 2.36 -1.26 -4.98 119.74 121.11 2ctt s LYS 97 Ca 0.61 1.21 -0.17 0.00 -2.55 0.00 0.00 55.97 55.07 2ctt s LYS 97 Cb -0.68 -3.49 -0.07 0.00 -1.05 0.00 0.00 37.83 32.54 2ctt s LYS 97 CO 0.60 -0.12 1.27 -0.09 1.55 0.00 0.00 175.35 178.56 2ctt h ARG 98 N 6.94 -0.36 0.20 4.03 2.43 -2.03 -3.16 114.38 122.44 2ctt h ARG 98 Ca -0.37 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 58.82 2ctt h ARG 98 Cb 1.18 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.79 2ctt h ARG 98 CO 0.79 -0.24 -0.34 0.77 -1.51 0.00 0.00 179.97 179.44 2ctt h SER 99 N -0.37 -0.97 -3.38 -3.80 0.02 -2.03 -3.45 113.55 99.56 2ctt h SER 99 Ca -0.00 0.09 0.03 0.00 -0.84 0.00 0.00 61.79 61.07 2ctt h SER 99 Cb 0.37 0.34 -0.25 0.00 0.14 0.00 0.00 62.40 63.01 2ctt h SER 99 CO -0.15 -0.40 0.35 -0.83 -1.14 0.00 0.00 176.83 174.66 2ctt s GLY 100 N -1.75 -0.27 0.48 -3.77 0.00 -1.19 -5.16 107.32 95.66 2ctt s GLY 100 Ca -0.11 2.51 -0.22 0.00 0.00 0.00 0.00 44.72 46.90 2ctt s GLY 100 CO 0.39 1.86 1.15 2.56 0.00 0.00 0.00 173.10 179.07 2ctt s PRO 101 N 0.36 3.64 -1.10 2.90 0.04 -1.26 -4.61 135.00 134.98 2ctt s PRO 101 Ca 0.01 1.72 -0.23 0.00 0.04 0.00 0.00 61.00 62.55 2ctt s PRO 101 Cb -0.05 -2.29 -0.08 0.00 0.04 0.00 0.00 34.50 32.13 2ctt s PRO 101 CO -0.05 -0.64 1.94 -1.12 0.04 0.00 0.00 177.00 177.17 2ctt s SER 102 N -1.48 5.04 0.05 6.66 0.01 -1.26 -4.81 113.70 117.91 2ctt s SER 102 Ca 0.66 -1.37 -0.27 0.00 1.31 0.00 0.00 55.95 56.28 2ctt s SER 102 Cb -0.27 -2.58 0.09 0.00 0.21 0.00 0.00 66.02 63.47 2ctt s SER 102 CO 0.32 -3.01 0.92 -0.44 0.41 0.00 0.00 173.24 171.45 2ctt s SER 103 N 6.98 -0.29 0.00 2.44 0.01 -1.26 -4.93 113.70 116.65 2ctt s SER 103 Ca 0.69 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.80 2ctt s SER 103 Cb -0.03 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.62 2ctt s SER 103 CO 0.09 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 173.63