#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 -0.02 0.27 1.61 1.04 -1.26 -5.19 113.70 110.15 2ctt s SER 2 Ca 0.00 -0.47 -0.20 0.00 0.48 0.00 0.00 55.95 55.76 2ctt s SER 2 Cb 0.00 0.37 0.05 0.00 0.10 0.00 0.00 66.02 66.54 2ctt s SER 2 CO 0.00 -0.73 0.86 -0.94 0.98 0.00 0.00 173.24 173.41 2ctt s SER 3 N -3.41 -0.09 0.05 7.02 1.04 -1.26 -5.19 113.70 111.86 2ctt s SER 3 Ca 0.22 -0.78 -0.03 0.00 0.48 0.00 0.00 55.95 55.84 2ctt s SER 3 Cb -0.01 0.68 0.01 0.00 0.10 0.00 0.00 66.02 66.80 2ctt s SER 3 CO 0.02 -1.31 0.15 0.61 0.98 0.00 0.00 173.24 173.69 2ctt n GLY 4 N -0.54 1.57 3.77 7.32 0.00 -1.26 -5.19 105.19 110.86 2ctt n GLY 4 Ca -0.06 -1.02 -0.03 0.00 0.00 0.00 0.00 46.02 44.92 2ctt n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ctt s SER 5 N -1.39 -0.13 0.37 1.61 0.15 -1.26 -5.19 113.70 107.86 2ctt s SER 5 Ca 0.03 -0.44 -0.10 0.00 0.70 0.00 0.00 55.95 56.14 2ctt s SER 5 Cb -0.01 0.46 0.03 0.00 -1.71 0.00 0.00 66.02 64.80 2ctt s SER 5 CO 0.02 -0.87 0.65 -0.44 1.20 0.00 0.00 173.24 173.79 2ctt s SER 6 N -3.04 0.43 0.30 5.45 0.01 -1.26 -5.19 113.70 110.40 2ctt s SER 6 Ca 0.14 -1.30 0.05 0.00 1.31 0.00 0.00 55.95 56.16 2ctt s SER 6 Cb -0.01 0.77 -0.03 0.00 0.21 0.00 0.00 66.02 66.95 2ctt s SER 6 CO 0.02 -1.51 0.25 -0.83 0.41 0.00 0.00 173.24 171.58 2ctt s GLY 7 N -3.15 2.10 -0.10 3.44 0.00 -1.26 -5.07 107.32 103.28 2ctt s GLY 7 Ca 0.22 -1.97 0.13 0.00 0.00 0.00 0.00 44.72 43.10 2ctt s GLY 7 CO 0.15 -1.44 0.12 1.15 0.00 0.00 0.00 173.10 173.09 2ctt n MET 8 N -0.54 1.41 -4.12 2.90 3.85 -1.26 -5.02 117.12 114.35 2ctt n MET 8 Ca 0.06 -0.04 -0.29 0.00 -1.00 0.00 0.00 57.70 56.43 2ctt n MET 8 Cb 0.63 -1.35 -0.05 0.00 -1.05 0.00 0.00 33.22 31.40 2ctt n MET 8 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 2ctt n GLU 9 N -2.37 -1.97 -0.36 3.17 4.07 -1.26 -4.90 120.64 117.03 2ctt n GLU 9 Ca -0.17 0.24 -0.26 0.00 -0.06 0.00 0.00 57.16 56.92 2ctt n GLU 9 Cb 0.79 -3.97 0.24 0.00 -0.06 0.00 0.00 31.44 28.45 2ctt n GLU 9 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2ctt n LEU 10 N -4.52 -0.81 -4.58 4.31 4.77 -1.26 -5.05 117.00 109.86 2ctt n LEU 10 Ca -0.30 -0.64 -0.27 0.00 -0.03 0.00 0.00 56.01 54.77 2ctt n LEU 10 Cb 0.68 -0.94 -0.11 0.00 -2.33 0.00 0.00 43.42 40.73 2ctt n LEU 10 CO 0.79 -4.03 -0.28 0.42 -1.33 0.00 0.00 177.39 172.96 2ctt s THR 11 N -2.12 1.79 -0.24 -5.08 -4.23 -1.26 -5.16 115.64 99.34 2ctt s THR 11 Ca 0.56 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.81 2ctt s THR 11 Cb -0.11 -2.93 0.11 0.00 1.34 0.00 0.00 72.50 70.91 2ctt s THR 11 CO 0.49 0.00 0.95 0.12 -0.54 0.00 0.00 174.62 175.63 2ctt s PHE 12 N -2.85 -0.52 0.29 3.99 2.19 -1.26 -4.97 117.98 114.84 2ctt s PHE 12 Ca 0.35 1.20 0.11 0.00 0.33 0.00 0.00 56.93 58.92 2ctt s PHE 12 Cb 0.10 0.36 -0.05 0.00 -1.31 0.00 0.00 43.02 42.12 2ctt s PHE 12 CO 0.17 -0.30 -0.13 0.54 1.83 0.00 0.00 175.22 177.33 2ctt s ASN 13 N -0.08 3.85 -0.82 6.13 2.20 -1.26 -5.08 114.94 119.88 2ctt s ASN 13 Ca 0.01 -0.97 -0.23 0.00 -0.94 0.00 0.00 52.86 50.73 2ctt s ASN 13 Cb -0.04 -0.44 0.06 0.00 -2.00 0.00 0.00 41.25 38.84 2ctt s ASN 13 CO -0.02 -0.02 1.22 -1.10 -2.94 0.00 0.00 177.10 174.24 2ctt s GLN 14 N -3.57 3.34 0.08 3.55 -1.52 -1.26 -4.96 119.66 115.32 2ctt s GLN 14 Ca 0.31 -0.88 -0.07 0.00 -1.95 0.00 0.00 55.36 52.77 2ctt s GLN 14 Cb -0.04 -4.62 -0.01 0.00 -0.22 0.00 0.00 33.01 28.12 2ctt s GLN 14 CO 0.17 -2.02 0.15 0.00 -0.25 0.00 0.00 175.29 173.34 2ctt s ALA 15 N 4.60 -0.10 -0.27 6.09 0.00 -1.26 -5.04 121.76 125.77 2ctt s ALA 15 Ca 0.34 -0.71 -0.02 0.00 0.00 0.00 0.00 51.96 51.57 2ctt s ALA 15 Cb -0.08 0.44 0.07 0.00 0.00 0.00 0.00 23.12 23.56 2ctt s ALA 15 CO 0.03 -0.48 2.47 0.00 0.00 0.00 0.00 175.76 177.78 2ctt n ALA 16 N -0.00 5.54 -3.38 0.00 0.00 -1.26 -4.83 120.51 116.58 2ctt n ALA 16 Ca -0.15 -1.87 -0.15 0.00 0.00 0.00 0.00 53.44 51.27 2ctt n ALA 16 Cb 0.62 -1.68 -0.07 0.00 0.00 0.00 0.00 19.45 18.31 2ctt n ALA 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2ctt s LYS 17 N -1.14 0.84 -0.10 0.00 -2.85 -1.26 -5.14 119.74 110.10 2ctt s LYS 17 Ca 0.40 0.07 -0.30 0.00 -1.00 0.00 0.00 55.97 55.14 2ctt s LYS 17 Cb 0.26 0.39 -0.02 0.00 -2.06 0.00 0.00 37.83 36.40 2ctt s LYS 17 CO -0.07 -0.24 1.19 0.20 0.10 0.00 0.00 175.35 176.53 2ctt s GLY 18 N -1.17 1.98 -0.23 0.59 0.00 -1.26 -4.91 107.32 102.32 2ctt s GLY 18 Ca -0.12 0.53 0.15 0.00 0.00 0.00 0.00 44.72 45.29 2ctt s GLY 18 CO 0.07 2.26 1.17 3.33 0.00 0.00 0.00 173.10 179.92 2ctt n VAL 19 N 4.84 1.74 -0.08 1.40 0.24 -1.26 -4.88 118.33 120.33 2ctt n VAL 19 Ca 0.12 -3.22 -0.07 0.00 -2.04 0.00 0.00 64.34 59.13 2ctt n VAL 19 Cb 0.46 0.08 -0.01 0.00 -1.47 0.00 0.00 33.84 32.91 2ctt n VAL 19 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 2ctt h ASN 20 N 1.98 -0.68 -2.40 -1.34 4.21 -1.92 -3.43 115.58 112.00 2ctt h ASN 20 Ca 0.07 0.14 -0.58 0.00 1.21 0.00 0.00 56.30 57.14 2ctt h ASN 20 Cb 1.42 0.34 0.19 0.00 -1.12 0.00 0.00 38.32 39.15 2ctt h ASN 20 CO 0.37 -0.24 -1.04 2.29 -1.29 0.00 0.00 177.43 177.52 2ctt n LYS 21 N -5.36 0.12 0.32 0.81 2.85 -1.26 -4.89 118.16 110.74 2ctt n LYS 21 Ca 0.00 0.05 -0.17 0.00 -1.05 0.00 0.00 58.31 57.15 2ctt n LYS 21 Cb 0.28 -1.28 -0.09 0.00 -0.65 0.00 0.00 35.03 33.29 2ctt n LYS 21 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 2ctt h GLU 22 N -0.29 -0.94 -5.07 -1.58 4.22 -1.97 -3.43 114.58 105.53 2ctt h GLU 22 Ca -0.43 0.06 -0.64 0.00 0.08 0.00 0.00 59.36 58.43 2ctt h GLU 22 Cb 1.39 0.21 0.05 0.00 0.50 0.00 0.00 28.75 30.90 2ctt h GLU 22 CO 0.39 -0.62 -0.06 1.19 -2.18 0.00 0.00 179.01 177.72 2ctt n PHE 23 N -5.15 0.32 -3.88 0.92 3.72 -1.26 -4.92 117.46 107.21 2ctt n PHE 23 Ca -0.12 0.88 -0.28 0.00 -0.05 0.00 0.00 57.45 57.88 2ctt n PHE 23 Cb 0.42 -1.74 -0.03 0.00 -0.94 0.00 0.00 39.48 37.19 2ctt n PHE 23 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2ctt s THR 24 N -0.19 5.32 0.10 4.37 2.01 -1.26 -4.96 115.64 121.03 2ctt s THR 24 Ca 0.72 -0.48 -0.03 0.00 0.31 0.00 0.00 61.69 62.21 2ctt s THR 24 Cb -1.01 -3.69 -0.24 0.00 0.01 0.00 0.00 72.50 67.57 2ctt s THR 24 CO 0.48 -0.01 1.22 -0.37 -0.69 0.00 0.00 174.62 175.25 2ctt h VAL 25 N 1.80 1.48 0.00 3.82 -1.51 -1.96 -3.34 116.25 116.55 2ctt h VAL 25 Ca -0.47 -2.85 -0.29 0.00 -1.23 0.00 0.00 66.70 61.86 2ctt h VAL 25 Cb 1.18 2.74 -0.03 0.00 -2.13 0.00 0.00 31.29 33.05 2ctt h VAL 25 CO 0.71 0.84 0.93 -3.20 -1.23 0.00 0.00 177.57 175.62 2ctt n ASN 26 N -3.60 5.37 -3.79 4.19 5.15 -1.26 -4.69 115.26 116.63 2ctt n ASN 26 Ca -0.07 -2.37 -0.30 0.00 -0.60 0.00 0.00 54.58 51.24 2ctt n ASN 26 Cb 0.94 -1.26 -0.14 0.00 -0.53 0.00 0.00 39.78 38.79 2ctt n ASN 26 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2ctt s ILE 27 N 1.74 1.43 -0.15 -1.44 1.01 -1.26 -4.62 121.20 117.91 2ctt s ILE 27 Ca 0.57 -2.14 -0.04 0.00 0.00 0.00 0.00 60.65 59.04 2ctt s ILE 27 Cb 0.23 -2.04 0.07 0.00 0.01 0.00 0.00 42.46 40.74 2ctt s ILE 27 CO -0.02 -0.76 0.20 -0.04 0.00 0.00 0.00 174.94 174.33 2ctt s MET 28 N 0.87 0.13 0.20 2.79 -1.94 -1.25 -3.73 119.30 116.38 2ctt s MET 28 Ca 0.14 0.40 -0.06 0.00 -1.71 0.00 0.00 55.69 54.46 2ctt s MET 28 Cb -0.21 -0.73 -0.03 0.00 2.01 0.00 0.00 34.83 35.88 2ctt s MET 28 CO -0.10 -0.48 0.25 0.34 -0.01 0.00 0.00 175.02 175.02 2ctt s ASP 29 N 2.32 0.08 0.02 3.03 2.15 0.03 -4.82 116.67 119.49 2ctt s ASP 29 Ca 0.04 -1.17 -0.39 0.00 0.43 0.00 0.00 52.55 51.46 2ctt s ASP 29 Cb -0.14 0.44 -0.19 0.00 -0.30 0.00 0.00 42.92 42.73 2ctt s ASP 29 CO -0.09 -0.93 1.12 0.41 -0.17 0.00 0.00 175.17 175.51 2ctt n THR 30 N -0.28 0.02 -0.82 1.71 -1.04 -1.26 -0.10 114.28 112.51 2ctt n THR 30 Ca -0.01 -0.01 -0.34 0.00 -2.04 0.00 0.00 64.05 61.66 2ctt n THR 30 Cb 0.64 -0.17 0.11 0.00 -1.82 0.00 0.00 70.33 69.09 2ctt n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ctt n GLU 32 N -0.75 3.05 -0.03 0.00 1.02 -1.26 -3.66 120.64 119.00 2ctt n GLU 32 Ca 0.03 -0.01 -0.15 0.00 -0.02 0.00 0.00 57.16 57.02 2ctt n GLU 32 Cb 0.58 -1.11 -0.09 0.00 -0.02 0.00 0.00 31.44 30.79 2ctt n GLU 32 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2ctt h ARG 33 N 0.00 0.34 0.00 3.49 2.43 -1.96 -3.31 114.38 115.36 2ctt h ARG 33 Ca -0.11 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 2ctt h ARG 33 Cb 1.19 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2ctt h ARG 33 CO 0.01 0.90 -1.25 0.00 -1.51 0.00 0.00 179.97 178.11 2ctt n ASN 35 N -1.69 -4.85 -1.48 0.00 3.02 -1.24 -2.51 115.26 106.51 2ctt n ASN 35 Ca 0.02 -0.46 -0.12 0.00 -0.03 0.00 0.00 54.58 53.99 2ctt n ASN 35 Cb 0.39 -4.26 0.00 0.00 -0.61 0.00 0.00 39.78 35.30 2ctt n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ctt n GLY 36 N -1.61 -0.07 0.29 7.41 0.00 -1.25 -4.88 105.19 105.07 2ctt n GLY 36 Ca -0.05 -0.36 -0.22 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.27 0.47 0.00 1.61 4.76 -1.04 -4.88 118.16 116.81 2ctt n LYS 37 Ca -0.11 0.19 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 2ctt n LYS 37 Cb 0.59 -1.30 0.00 0.00 -1.84 0.00 0.00 35.03 32.49 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 1.79 1.81 3.40 0.72 0.00 -1.26 -4.91 105.19 106.73 2ctt n GLY 38 Ca -0.42 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.46 0.34 1.61 4.22 -1.26 -3.76 114.94 113.64 2ctt s ASN 39 Ca 0.00 0.18 -0.29 0.00 -2.14 0.00 0.00 52.86 50.62 2ctt s ASN 39 Cb 0.00 0.50 -0.11 0.00 1.28 0.00 0.00 41.25 42.92 2ctt s ASN 39 CO 0.00 -0.73 1.44 -1.61 -2.04 0.00 0.00 177.10 174.16 2ctt s GLU 40 N -2.49 4.20 0.00 3.55 2.02 -1.08 -4.34 118.70 120.56 2ctt s GLU 40 Ca -0.05 2.44 0.00 0.00 0.02 0.00 0.00 54.97 57.38 2ctt s GLU 40 Cb -0.01 -3.02 0.00 0.00 0.10 0.00 0.00 34.13 31.20 2ctt s GLU 40 CO -0.02 -0.43 0.45 -0.35 0.02 0.00 0.00 175.26 174.93 2ctt n PRO 41 N 0.94 0.49 -2.52 0.39 -0.04 -1.26 -2.81 135.00 130.19 2ctt n PRO 41 Ca 0.02 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.46 2ctt n PRO 41 Cb 0.40 -1.04 0.08 0.00 -0.04 0.00 0.00 33.50 32.90 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 0.03 1.79 3.22 0.55 0.00 -1.26 -5.13 105.19 104.38 2ctt n GLY 42 Ca 0.00 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 2ctt n GLY 42 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ctt n THR 43 N -1.03 0.00 -4.26 2.61 -2.24 -1.12 -5.17 114.28 103.06 2ctt n THR 43 Ca -0.10 -2.28 -0.24 0.00 -2.27 0.00 0.00 64.05 59.16 2ctt n THR 43 Cb 0.85 0.82 -0.08 0.00 -2.10 0.00 0.00 70.33 69.82 2ctt n THR 43 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ctt s LYS 44 N -3.49 2.31 0.02 -0.78 1.02 -1.26 -4.97 119.74 112.59 2ctt s LYS 44 Ca 0.20 -1.30 -0.09 0.00 0.02 0.00 0.00 55.97 54.80 2ctt s LYS 44 Cb 0.01 -2.23 0.00 0.00 -0.52 0.00 0.00 37.83 35.10 2ctt s LYS 44 CO 0.14 0.40 0.17 0.54 -0.92 0.00 0.00 175.35 175.68 2ctt s VAL 45 N -2.07 0.09 0.31 3.17 0.11 -1.26 -3.16 120.40 117.60 2ctt s VAL 45 Ca 0.29 -0.78 0.08 0.00 -2.93 0.00 0.00 61.98 58.64 2ctt s VAL 45 Cb -0.08 -0.67 -0.03 0.00 -1.53 0.00 0.00 36.38 34.07 2ctt s VAL 45 CO 0.19 -0.43 0.20 -1.10 -3.33 0.00 0.00 175.10 170.63 2ctt s GLN 46 N -1.91 2.61 -0.28 1.54 -1.52 0.29 -4.93 119.66 115.46 2ctt s GLN 46 Ca -0.10 -1.34 -0.18 0.00 -1.95 0.00 0.00 55.36 51.78 2ctt s GLN 46 Cb -0.04 -2.37 -0.02 0.00 -0.22 0.00 0.00 33.01 30.36 2ctt s GLN 46 CO -0.01 0.19 0.54 -1.58 -0.25 0.00 0.00 175.29 174.18 2ctt s HIS 47 N -2.31 3.24 -0.16 0.91 5.65 -1.26 -0.02 115.29 121.34 2ctt s HIS 47 Ca 0.37 0.57 -0.29 0.00 0.25 0.00 0.00 55.06 55.96 2ctt s HIS 47 Cb -0.05 -2.80 -0.01 0.00 -1.18 0.00 0.00 32.58 28.53 2ctt s HIS 47 CO 0.24 -0.36 1.25 0.00 -0.65 0.00 0.00 174.74 175.23 2ctt h HIS 49 N 8.12 0.37 -0.97 0.00 3.86 -1.95 -0.67 115.15 123.92 2ctt h HIS 49 Ca -0.27 -0.27 0.11 0.00 -1.16 0.00 0.00 60.37 58.78 2ctt h HIS 49 Cb 1.11 -0.01 -0.13 0.00 1.06 0.00 0.00 27.41 29.43 2ctt h HIS 49 CO 0.79 1.23 -0.52 1.88 0.86 0.00 0.00 177.93 182.17 2ctt h TYR 50 N 0.06 -1.63 0.01 2.45 -1.99 -1.95 -3.07 116.97 110.84 2ctt h TYR 50 Ca -0.13 0.12 -0.38 0.00 2.00 0.00 0.00 58.73 60.33 2ctt h TYR 50 Cb 1.94 0.84 -0.07 0.00 2.00 0.00 0.00 36.73 41.45 2ctt h TYR 50 CO 0.05 -0.39 -2.43 0.00 -0.00 0.00 0.00 178.16 175.39 2ctt n GLY 52 N 2.16 0.77 0.00 0.00 0.00 -0.26 -4.09 105.19 103.78 2ctt n GLY 52 Ca -0.43 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.39 1.08 0.06 -0.02 0.00 -1.20 -4.97 105.19 97.75 2ctt n GLY 53 Ca 0.00 0.00 0.01 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 0.00 0.09 0.00 1.61 3.41 -1.26 -4.66 113.62 112.82 2ctt n SER 54 Ca 0.00 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 2ctt n SER 54 Cb 0.00 1.39 0.00 0.00 -0.26 0.00 0.00 64.21 65.34 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 1.47 0.40 2.98 5.00 0.00 -1.26 -4.85 105.19 108.94 2ctt n GLY 55 Ca -0.16 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 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 -3.53 0.13 0.23 1.61 -2.45 -1.26 -3.79 119.30 110.23 2ctt s MET 56 Ca 0.00 0.19 0.07 0.00 -1.25 0.00 0.00 55.69 54.70 2ctt s MET 56 Cb 0.00 0.03 -0.04 0.00 1.25 0.00 0.00 34.83 36.07 2ctt s MET 56 CO 0.00 -0.04 0.15 -2.00 1.05 0.00 0.00 175.02 174.18 2ctt s GLU 57 N 0.22 2.83 -0.09 4.11 2.12 -0.01 -3.98 118.70 123.90 2ctt s GLU 57 Ca -0.01 -1.05 0.02 0.00 0.36 0.00 0.00 54.97 54.29 2ctt s GLU 57 Cb -0.02 -2.53 0.01 0.00 0.26 0.00 0.00 34.13 31.84 2ctt s GLU 57 CO -0.01 0.42 -0.16 0.99 -0.54 0.00 0.00 175.26 175.97 2ctt s THR 58 N -2.04 1.45 -0.60 -1.70 2.01 -1.26 -2.49 115.64 111.00 2ctt s THR 58 Ca 0.32 -0.65 -0.11 0.00 0.31 0.00 0.00 61.69 61.57 2ctt s THR 58 Cb -0.08 -1.30 0.15 0.00 0.01 0.00 0.00 72.50 71.28 2ctt s THR 58 CO 0.24 0.43 0.50 -0.63 -0.69 0.00 0.00 174.62 174.47 2ctt s ILE 59 N 0.70 4.68 -0.75 1.82 1.09 -0.93 -4.97 121.20 122.85 2ctt s ILE 59 Ca -0.13 -2.12 -0.27 0.00 -1.10 0.00 0.00 60.65 57.04 2ctt s ILE 59 Cb -0.16 -4.00 0.03 0.00 -1.06 0.00 0.00 42.46 37.26 2ctt s ILE 59 CO 0.03 -0.88 1.34 0.20 -0.10 0.00 0.00 174.94 175.53 2ctt s ASN 60 N 2.37 6.11 -0.15 3.58 -0.87 -1.26 -0.97 114.94 123.75 2ctt s ASN 60 Ca 0.10 -0.46 0.00 0.00 -1.57 0.00 0.00 52.86 50.94 2ctt s ASN 60 Cb -0.22 -2.56 0.02 0.00 -0.02 0.00 0.00 41.25 38.48 2ctt s ASN 60 CO -0.03 -1.86 -0.13 0.28 -2.57 0.00 0.00 177.10 172.79 2ctt s THR 61 N 5.97 1.51 0.00 1.60 -1.32 -0.85 -5.02 115.64 117.53 2ctt s THR 61 Ca 0.38 -0.62 0.00 0.00 -1.21 0.00 0.00 61.69 60.24 2ctt s THR 61 Cb -0.08 -1.44 0.00 0.00 -1.51 0.00 0.00 72.50 69.47 2ctt s THR 61 CO 0.14 0.42 0.00 0.61 -2.21 0.00 0.00 174.62 173.58 2ctt n GLY 62 N 4.79 0.97 0.00 6.08 0.00 -1.26 -2.36 105.19 113.41 2ctt n GLY 62 Ca -0.16 -0.72 0.05 0.00 0.00 0.00 0.00 46.02 45.19 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 -4.47 1.61 -0.04 -1.26 -4.74 135.00 126.59 2ctt n PRO 63 Ca 0.00 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.23 2ctt n PRO 63 Cb 0.00 -1.34 -0.09 0.00 -0.04 0.00 0.00 33.50 32.03 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 1.86 -0.05 0.54 -0.12 -1.00 -5.17 117.98 112.04 2ctt s PHE 64 Ca 0.16 -1.11 -0.08 0.00 -0.05 0.00 0.00 56.93 55.85 2ctt s PHE 64 Cb 0.07 -1.21 0.01 0.00 -0.63 0.00 0.00 43.02 41.26 2ctt s PHE 64 CO 0.12 -0.14 0.19 0.54 -0.05 0.00 0.00 175.22 175.89 2ctt s VAL 65 N -3.29 0.03 0.47 -2.49 0.11 -1.26 -2.01 120.40 111.97 2ctt s VAL 65 Ca 0.31 -0.26 0.08 0.00 -2.93 0.00 0.00 61.98 59.18 2ctt s VAL 65 Cb 0.06 -0.36 0.02 0.00 -1.53 0.00 0.00 36.38 34.56 2ctt s VAL 65 CO 0.15 -0.14 0.50 -0.04 -3.33 0.00 0.00 175.10 172.24 2ctt s MET 66 N -0.48 2.49 -0.10 1.54 -1.94 -0.14 -4.95 119.30 115.72 2ctt s MET 66 Ca -0.06 -1.59 -0.03 0.00 -1.71 0.00 0.00 55.69 52.30 2ctt s MET 66 Cb -0.04 -2.45 0.04 0.00 2.01 0.00 0.00 34.83 34.39 2ctt s MET 66 CO 0.01 -0.42 0.07 1.03 -0.01 0.00 0.00 175.02 175.70 2ctt s ARG 67 N -4.31 0.03 0.00 2.03 1.81 -1.26 -2.18 118.95 115.07 2ctt s ARG 67 Ca 0.50 0.17 -0.03 0.00 -1.72 0.00 0.00 55.73 54.65 2ctt s ARG 67 Cb -0.05 -1.08 -0.01 0.00 -0.45 0.00 0.00 34.95 33.37 2ctt s ARG 67 CO 0.30 -0.47 0.04 0.45 -0.68 0.00 0.00 175.30 174.94 2ctt s SER 68 N 2.14 0.09 0.20 0.23 0.15 -1.04 -5.02 113.70 110.45 2ctt s SER 68 Ca 0.04 -0.24 -0.31 0.00 0.70 0.00 0.00 55.95 56.14 2ctt s SER 68 Cb -0.14 0.14 -0.16 0.00 -1.71 0.00 0.00 66.02 64.15 2ctt s SER 68 CO -0.06 -0.24 0.98 0.41 1.20 0.00 0.00 173.24 175.54 2ctt n THR 69 N 1.98 1.36 -1.18 6.45 -1.04 -1.26 -0.83 114.28 119.75 2ctt n THR 69 Ca -0.20 -0.34 -0.36 0.00 -2.04 0.00 0.00 64.05 61.11 2ctt n THR 69 Cb 0.56 -0.64 0.08 0.00 -1.82 0.00 0.00 70.33 68.51 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 -0.80 2.35 0.17 0.00 1.74 -1.26 -3.52 116.66 115.34 2ctt n ARG 71 Ca 0.09 -0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.03 2ctt n ARG 71 Cb 0.51 -1.25 -0.08 0.00 -1.02 0.00 0.00 32.46 30.62 2ctt n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ctt h ARG 72 N 0.00 -0.44 0.10 5.56 2.47 -2.01 -3.36 114.38 116.71 2ctt h ARG 72 Ca -0.26 0.03 -0.37 0.00 -1.26 0.00 0.00 59.98 58.12 2ctt h ARG 72 Cb 1.58 0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 29.98 2ctt h ARG 72 CO 0.01 -0.13 -2.06 0.00 0.56 0.00 0.00 179.97 178.34 2ctt n GLY 74 N 2.03 1.48 1.75 0.00 0.00 -1.23 -4.43 105.19 104.79 2ctt n GLY 74 Ca -0.34 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.70 0.66 0.14 -0.02 0.00 -1.25 -4.88 105.19 99.13 2ctt n GLY 75 Ca 0.00 -0.79 -0.05 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.76 0.17 0.00 1.61 3.00 -1.26 -4.74 116.66 114.68 2ctt n ARG 76 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.85 57.89 2ctt n ARG 76 Cb 0.50 -1.08 0.00 0.00 0.00 0.00 0.00 32.46 31.88 2ctt n ARG 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2ctt n GLY 77 N 3.08 0.67 3.49 5.14 0.00 -1.26 -4.65 105.19 111.67 2ctt n GLY 77 Ca -0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.10 -0.46 -0.60 1.61 0.01 -1.26 -3.26 113.70 107.63 2ctt s SER 78 Ca 0.00 0.17 -0.19 0.00 1.31 0.00 0.00 55.95 57.24 2ctt s SER 78 Cb 0.00 0.45 0.10 0.00 0.21 0.00 0.00 66.02 66.78 2ctt s SER 78 CO 0.00 -0.67 0.73 -0.63 0.41 0.00 0.00 173.24 173.08 2ctt s ILE 79 N -2.69 4.77 -0.92 1.44 1.09 0.97 -4.72 121.20 121.15 2ctt s ILE 79 Ca 0.01 -0.95 -0.23 0.00 -1.10 0.00 0.00 60.65 58.38 2ctt s ILE 79 Cb -0.01 -4.51 0.06 0.00 -1.06 0.00 0.00 42.46 36.94 2ctt s ILE 79 CO -0.06 -1.16 1.31 -0.63 -0.10 0.00 0.00 174.94 174.30 2ctt s ILE 80 N 2.81 4.07 0.55 2.92 1.01 -1.26 -0.55 121.20 130.75 2ctt s ILE 80 Ca 0.13 -0.65 0.41 0.00 0.00 0.00 0.00 60.65 60.54 2ctt s ILE 80 Cb -0.23 -4.95 0.61 0.00 0.01 0.00 0.00 42.46 37.91 2ctt s ILE 80 CO 0.06 -1.80 1.73 0.40 0.00 0.00 0.00 174.94 175.34 2ctt h ILE 81 N 6.39 0.28 -3.04 2.92 5.03 -1.93 -3.25 117.51 123.92 2ctt h ILE 81 Ca 0.05 0.00 -0.57 0.00 -0.12 0.00 0.00 64.86 64.22 2ctt h ILE 81 Cb 1.03 0.28 -0.40 0.00 -3.03 0.00 0.00 36.82 34.70 2ctt h ILE 81 CO 1.32 0.00 -0.76 -0.55 -0.68 0.00 0.00 178.15 177.47 2ctt s SER 82 N -4.76 3.87 0.32 1.72 0.15 -1.26 -5.07 113.70 108.67 2ctt s SER 82 Ca -0.05 -1.58 -0.29 0.00 0.70 0.00 0.00 55.95 54.73 2ctt s SER 82 Cb 0.24 -0.72 -0.10 0.00 -1.71 0.00 0.00 66.02 63.73 2ctt s SER 82 CO 0.83 -0.42 1.23 -2.16 1.20 0.00 0.00 173.24 173.92 2ctt s PRO 83 N 1.71 4.45 0.57 5.44 0.04 -1.23 -2.63 135.00 143.34 2ctt s PRO 83 Ca 0.10 2.05 -0.14 0.00 0.04 0.00 0.00 61.00 63.05 2ctt s PRO 83 Cb -0.17 -3.10 -0.12 0.00 0.04 0.00 0.00 34.50 31.15 2ctt s PRO 83 CO -0.27 -0.05 -0.33 0.00 0.04 0.00 0.00 177.00 176.39 2ctt n VAL 85 N -1.53 0.00 -0.11 0.00 0.24 -1.26 -2.98 118.33 112.69 2ctt n VAL 85 Ca 0.03 -0.32 -0.22 0.00 -2.04 0.00 0.00 64.34 61.79 2ctt n VAL 85 Cb 0.40 1.19 -0.09 0.00 -1.47 0.00 0.00 33.84 33.87 2ctt n VAL 85 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2ctt n VAL 86 N -0.16 1.27 0.58 3.34 0.31 -1.26 -4.67 118.33 117.75 2ctt n VAL 86 Ca 0.07 -0.38 0.07 0.00 -0.01 0.00 0.00 64.34 64.09 2ctt n VAL 86 Cb 0.34 -1.64 -0.09 0.00 -0.91 0.00 0.00 33.84 31.54 2ctt n VAL 86 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ctt n ARG 88 N -1.44 -6.86 -2.78 0.00 5.12 -1.16 -2.11 116.66 107.44 2ctt n ARG 88 Ca 0.02 0.74 -0.08 0.00 -1.93 0.00 0.00 57.85 56.61 2ctt n ARG 88 Cb 0.25 -5.72 0.02 0.00 -1.16 0.00 0.00 32.46 25.85 2ctt n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2ctt n GLY 89 N -1.86 0.44 0.12 -0.13 0.00 -1.26 -4.78 105.19 97.72 2ctt n GLY 89 Ca 0.02 -0.40 -0.15 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.10 1.48 0.00 4.61 0.00 -0.90 -4.93 120.51 117.68 2ctt n ALA 90 Ca -0.01 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.33 2ctt n ALA 90 Cb 0.52 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 2.20 0.29 3.08 0.00 0.00 -1.26 -5.03 105.19 104.47 2ctt n GLY 91 Ca -0.41 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 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 0.51 0.28 1.61 -0.21 -1.26 -2.80 119.66 116.98 2ctt s GLN 92 Ca 0.00 -0.76 0.01 0.00 0.02 0.00 0.00 55.36 54.62 2ctt s GLN 92 Cb 0.00 0.19 -0.00 0.00 1.00 0.00 0.00 33.01 34.20 2ctt s GLN 92 CO 0.00 -0.11 0.35 0.00 -2.12 0.00 0.00 175.29 173.41 2ctt n ALA 93 N 0.93 -0.04 -2.19 6.09 0.00 0.86 -4.59 120.51 121.57 2ctt n ALA 93 Ca -0.20 -1.39 -0.31 0.00 0.00 0.00 0.00 53.44 51.54 2ctt n ALA 93 Cb 0.58 1.12 -0.05 0.00 0.00 0.00 0.00 19.45 21.10 2ctt n ALA 93 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2ctt s LYS 94 N -2.77 2.85 -0.21 0.00 2.20 -1.26 -0.79 119.74 119.76 2ctt s LYS 94 Ca 0.26 -1.14 -0.00 0.00 -0.36 0.00 0.00 55.97 54.73 2ctt s LYS 94 Cb -0.00 -5.27 0.02 0.00 -1.51 0.00 0.00 37.83 31.07 2ctt s LYS 94 CO 0.19 -3.43 -0.13 -0.65 -0.36 0.00 0.00 175.35 170.96 2ctt s GLN 95 N 6.07 2.97 -0.37 4.03 1.11 -1.24 -4.91 119.66 127.32 2ctt s GLN 95 Ca 0.65 -0.86 -0.33 0.00 0.01 0.00 0.00 55.36 54.82 2ctt s GLN 95 Cb -0.01 -2.78 -0.14 0.00 -1.01 0.00 0.00 33.01 29.07 2ctt s GLN 95 CO 0.08 -0.28 1.49 1.17 0.01 0.00 0.00 175.29 177.76 2ctt n LYS 96 N 4.65 0.00 -2.57 2.91 4.81 -1.26 -3.70 118.16 123.00 2ctt n LYS 96 Ca -0.19 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 56.88 2ctt n LYS 96 Cb 0.49 -1.11 -0.04 0.00 0.02 0.00 0.00 35.03 34.38 2ctt n LYS 96 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2ctt s LYS 97 N 3.91 4.25 -0.30 1.64 2.47 -1.26 -4.95 119.74 125.49 2ctt s LYS 97 Ca 0.86 1.50 -0.17 0.00 -1.56 0.00 0.00 55.97 56.60 2ctt s LYS 97 Cb -1.11 -2.61 0.18 0.00 -1.46 0.00 0.00 37.83 32.83 2ctt s LYS 97 CO 0.52 -0.07 1.16 0.50 0.16 0.00 0.00 175.35 177.62 2ctt s ARG 98 N -2.39 0.14 -1.51 4.03 6.06 -1.26 -4.97 118.95 119.05 2ctt s ARG 98 Ca 0.56 0.36 -0.11 0.00 -2.50 0.00 0.00 55.73 54.04 2ctt s ARG 98 Cb -0.22 0.22 0.08 0.00 0.06 0.00 0.00 34.95 35.08 2ctt s ARG 98 CO 0.28 -0.05 0.89 0.45 -2.50 0.00 0.00 175.30 174.36 2ctt n SER 99 N 4.75 -3.83 -4.21 -2.12 2.88 -1.26 -4.95 113.62 104.88 2ctt n SER 99 Ca -0.08 -0.82 -0.36 0.00 -1.33 0.00 0.00 58.87 56.28 2ctt n SER 99 Cb 0.54 -3.74 -0.13 0.00 -0.75 0.00 0.00 64.21 60.13 2ctt n SER 99 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ctt s GLY 100 N -3.53 1.79 1.17 0.46 0.00 -1.26 -5.10 107.32 100.84 2ctt s GLY 100 Ca 0.53 -1.74 -0.18 0.00 0.00 0.00 0.00 44.72 43.33 2ctt s GLY 100 CO 0.84 0.72 1.11 2.56 0.00 0.00 0.00 173.10 178.33 2ctt s PRO 101 N 1.31 -0.95 -0.26 2.90 0.04 -1.26 -5.09 135.00 131.69 2ctt s PRO 101 Ca -0.04 0.04 -0.20 0.00 0.04 0.00 0.00 61.00 60.84 2ctt s PRO 101 Cb -0.20 -1.62 0.07 0.00 0.04 0.00 0.00 34.50 32.80 2ctt s PRO 101 CO 0.00 -3.55 0.67 0.45 0.04 0.00 0.00 177.00 174.62 2ctt s SER 102 N -3.81 -0.80 0.02 6.66 0.15 -1.26 -5.17 113.70 109.49 2ctt s SER 102 Ca 0.70 1.41 -0.28 0.00 0.70 0.00 0.00 55.95 58.48 2ctt s SER 102 Cb -0.11 1.36 0.10 0.00 -1.71 0.00 0.00 66.02 65.65 2ctt s SER 102 CO 0.56 -0.24 1.24 -0.55 1.20 0.00 0.00 173.24 175.46 2ctt s SER 103 N 0.92 -0.01 0.00 5.45 0.15 -1.26 -5.35 113.70 113.60 2ctt s SER 103 Ca -0.04 -0.27 0.07 0.00 0.70 0.00 0.00 55.95 56.40 2ctt s SER 103 Cb -0.05 0.21 0.05 0.00 -1.71 0.00 0.00 66.02 64.53 2ctt s SER 103 CO -0.08 -0.42 0.71 0.61 1.20 0.00 0.00 173.24 175.26