#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctt n SER 2 N 0.00 0.80 0.06 1.61 3.41 -1.26 -4.83 113.62 113.41 2ctt n SER 2 Ca 0.00 -1.26 -0.14 0.00 -0.26 0.00 0.00 58.87 57.21 2ctt n SER 2 Cb 0.00 -1.71 -0.05 0.00 -0.26 0.00 0.00 64.21 62.19 2ctt n SER 2 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2ctt h SER 3 N -1.78 0.61 -3.59 4.04 4.64 -2.16 -3.49 113.55 111.81 2ctt h SER 3 Ca -0.66 -0.47 0.26 0.00 -0.47 0.00 0.00 61.79 60.45 2ctt h SER 3 Cb 1.40 -0.18 -0.09 0.00 -0.31 0.00 0.00 62.40 63.21 2ctt h SER 3 CO 0.71 1.27 -0.55 0.61 -0.87 0.00 0.00 176.83 178.00 2ctt n GLY 4 N 0.92 -2.23 3.65 -0.77 0.00 -1.26 -5.06 105.19 100.45 2ctt n GLY 4 Ca -0.07 -1.24 -0.06 0.00 0.00 0.00 0.00 46.02 44.65 2ctt n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctt s SER 5 N -6.26 -0.28 0.03 1.61 0.01 -1.26 -5.19 113.70 102.36 2ctt s SER 5 Ca 0.00 -0.26 -0.28 0.00 1.31 0.00 0.00 55.95 56.72 2ctt s SER 5 Cb 0.00 0.49 0.10 0.00 0.21 0.00 0.00 66.02 66.82 2ctt s SER 5 CO 0.00 -0.86 1.22 -0.44 0.41 0.00 0.00 173.24 173.57 2ctt s SER 6 N -2.77 -0.04 0.06 2.44 0.01 -1.26 -5.20 113.70 106.95 2ctt s SER 6 Ca 0.09 -0.26 -0.27 0.00 1.31 0.00 0.00 55.95 56.82 2ctt s SER 6 Cb -0.02 0.23 0.09 0.00 0.21 0.00 0.00 66.02 66.54 2ctt s SER 6 CO -0.02 -0.45 1.15 -0.83 0.41 0.00 0.00 173.24 173.50 2ctt s GLY 7 N -3.30 -0.26 -0.16 3.44 0.00 -1.26 -5.18 107.32 100.60 2ctt s GLY 7 Ca 0.20 0.31 -0.29 0.00 0.00 0.00 0.00 44.72 44.94 2ctt s GLY 7 CO -0.01 0.91 0.84 1.06 0.00 0.00 0.00 173.10 175.90 2ctt s MET 8 N -2.62 0.79 0.22 2.90 1.00 -1.26 -5.19 119.30 115.15 2ctt s MET 8 Ca 0.16 0.40 -0.04 0.00 0.00 0.00 0.00 55.69 56.21 2ctt s MET 8 Cb 0.01 0.38 -0.03 0.00 0.00 0.00 0.00 34.83 35.19 2ctt s MET 8 CO -0.00 -0.21 0.24 -1.21 0.00 0.00 0.00 175.02 173.84 2ctt s GLU 9 N -0.69 1.34 0.24 2.03 0.41 -1.26 -5.18 118.70 115.58 2ctt s GLU 9 Ca -0.04 -1.55 -0.08 0.00 -0.41 0.00 0.00 54.97 52.89 2ctt s GLU 9 Cb -0.02 0.33 -0.02 0.00 -1.78 0.00 0.00 34.13 32.65 2ctt s GLU 9 CO 0.03 -0.48 0.35 -0.51 -0.49 0.00 0.00 175.26 174.17 2ctt s LEU 10 N -3.13 0.68 -0.28 1.80 1.43 -1.26 -5.17 118.68 112.74 2ctt s LEU 10 Ca 0.35 -1.14 -0.17 0.00 -1.03 0.00 0.00 54.13 52.13 2ctt s LEU 10 Cb 0.05 1.23 0.11 0.00 0.03 0.00 0.00 46.19 47.61 2ctt s LEU 10 CO 0.12 -1.04 0.82 -0.89 0.23 0.00 0.00 176.35 175.59 2ctt s THR 11 N -3.99 0.00 -0.02 5.49 2.01 -1.26 -5.17 115.64 112.69 2ctt s THR 11 Ca 0.29 0.00 -0.16 0.00 0.31 0.00 0.00 61.69 62.13 2ctt s THR 11 Cb 0.02 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.56 2ctt s THR 11 CO 0.11 0.00 0.34 0.12 -0.69 0.00 0.00 174.62 174.50 2ctt s PHE 12 N 1.34 -0.22 0.06 4.92 5.36 -1.26 -5.17 117.98 123.00 2ctt s PHE 12 Ca -0.08 0.35 -0.28 0.00 -0.96 0.00 0.00 56.93 55.96 2ctt s PHE 12 Cb -0.04 0.12 0.10 0.00 -0.34 0.00 0.00 43.02 42.85 2ctt s PHE 12 CO -0.16 -0.40 1.16 1.21 -1.46 0.00 0.00 175.22 175.57 2ctt s ASN 13 N -1.28 -0.09 0.39 6.13 3.84 -1.26 -5.19 114.94 117.48 2ctt s ASN 13 Ca -0.13 -0.27 -0.12 0.00 0.21 0.00 0.00 52.86 52.55 2ctt s ASN 13 Cb -0.05 0.30 0.04 0.00 -0.55 0.00 0.00 41.25 40.99 2ctt s ASN 13 CO 0.05 -0.56 0.72 -1.10 -2.79 0.00 0.00 177.10 173.42 2ctt s GLN 14 N -2.68 2.20 -0.21 0.43 -0.21 -1.26 -5.19 119.66 112.74 2ctt s GLN 14 Ca 0.15 -1.56 -0.31 0.00 0.02 0.00 0.00 55.36 53.65 2ctt s GLN 14 Cb 0.02 0.58 0.16 0.00 1.00 0.00 0.00 33.01 34.77 2ctt s GLN 14 CO -0.01 -1.01 1.20 0.00 -2.12 0.00 0.00 175.29 173.35 2ctt s ALA 15 N -2.35 -2.04 0.13 6.09 0.00 -1.26 -5.19 121.76 117.13 2ctt s ALA 15 Ca 0.20 1.70 -0.24 0.00 0.00 0.00 0.00 51.96 53.61 2ctt s ALA 15 Cb -0.04 -0.84 0.07 0.00 0.00 0.00 0.00 23.12 22.31 2ctt s ALA 15 CO 0.14 -0.37 0.69 0.00 0.00 0.00 0.00 175.76 176.22 2ctt s ALA 16 N -1.48 -1.63 0.40 0.00 0.00 -1.26 -5.19 121.76 112.59 2ctt s ALA 16 Ca 0.06 0.55 -0.15 0.00 0.00 0.00 0.00 51.96 52.42 2ctt s ALA 16 Cb -0.01 0.77 0.06 0.00 0.00 0.00 0.00 23.12 23.94 2ctt s ALA 16 CO -0.04 -0.78 0.80 0.36 0.00 0.00 0.00 175.76 176.10 2ctt n LYS 17 N -0.35 1.14 -3.15 0.00 2.85 -1.26 -5.17 118.16 112.21 2ctt n LYS 17 Ca -0.14 -2.23 0.05 0.00 -1.05 0.00 0.00 58.31 54.93 2ctt n LYS 17 Cb 0.64 2.79 -0.03 0.00 -0.65 0.00 0.00 35.03 37.78 2ctt n LYS 17 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2ctt s GLY 18 N -3.09 0.22 0.04 2.58 0.00 -1.26 -5.18 107.32 100.63 2ctt s GLY 18 Ca 0.16 3.56 0.00 0.00 0.00 0.00 0.00 44.72 48.45 2ctt s GLY 18 CO 0.12 3.60 -0.04 -1.34 0.00 0.00 0.00 173.10 175.44 2ctt s VAL 19 N 2.33 0.28 -0.23 1.40 -7.23 -1.26 -5.16 120.40 110.54 2ctt s VAL 19 Ca -0.03 -1.41 -0.11 0.00 -1.81 0.00 0.00 61.98 58.62 2ctt s VAL 19 Cb -0.03 -0.97 0.09 0.00 0.56 0.00 0.00 36.38 36.03 2ctt s VAL 19 CO -0.13 -0.72 0.54 0.21 -0.31 0.00 0.00 175.10 174.68 2ctt s ASN 20 N -2.24 -0.70 0.09 4.85 2.47 -1.26 -5.17 114.94 112.99 2ctt s ASN 20 Ca -0.03 1.23 0.06 0.00 0.42 0.00 0.00 52.86 54.54 2ctt s ASN 20 Cb -0.01 1.42 -0.03 0.00 -1.45 0.00 0.00 41.25 41.17 2ctt s ASN 20 CO -0.05 -0.22 -0.15 -0.54 -3.72 0.00 0.00 177.10 172.42 2ctt s LYS 21 N 2.11 0.93 -0.54 0.43 1.02 -1.26 -5.11 119.74 117.32 2ctt s LYS 21 Ca -0.07 -1.08 0.02 0.00 0.02 0.00 0.00 55.97 54.86 2ctt s LYS 21 Cb -0.09 -0.95 0.14 0.00 -0.52 0.00 0.00 37.83 36.40 2ctt s LYS 21 CO -0.16 0.21 0.30 -1.21 -0.92 0.00 0.00 175.35 173.56 2ctt s GLU 22 N -2.05 2.11 -0.16 1.68 2.02 -1.26 -5.07 118.70 115.97 2ctt s GLU 22 Ca 0.03 -2.54 -0.02 0.00 0.02 0.00 0.00 54.97 52.46 2ctt s GLU 22 Cb -0.08 -3.43 -0.01 0.00 0.10 0.00 0.00 34.13 30.70 2ctt s GLU 22 CO 0.03 -1.12 -0.10 0.12 0.02 0.00 0.00 175.26 174.21 2ctt s PHE 23 N -0.14 2.88 0.32 1.61 5.36 -1.26 -5.11 117.98 121.63 2ctt s PHE 23 Ca 0.16 -0.74 0.03 0.00 -0.96 0.00 0.00 56.93 55.42 2ctt s PHE 23 Cb -0.24 -1.94 -0.06 0.00 -0.34 0.00 0.00 43.02 40.45 2ctt s PHE 23 CO -0.01 -0.32 0.07 0.95 -1.46 0.00 0.00 175.22 174.44 2ctt s THR 24 N 0.73 1.06 0.00 0.12 -4.23 -1.26 -5.07 115.64 106.99 2ctt s THR 24 Ca -0.05 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.46 2ctt s THR 24 Cb -0.15 -2.75 0.00 0.00 1.34 0.00 0.00 72.50 70.94 2ctt s THR 24 CO 0.02 0.00 0.00 0.55 -0.54 0.00 0.00 174.62 174.65 2ctt n VAL 25 N -0.66 0.00 -0.22 2.29 3.14 -1.26 -5.07 118.33 116.54 2ctt n VAL 25 Ca -0.02 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.23 2ctt n VAL 25 Cb 0.66 -0.80 0.12 0.00 -1.06 0.00 0.00 33.84 32.76 2ctt n VAL 25 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2ctt n ASN 26 N -1.77 -2.65 -4.71 6.55 4.13 -1.26 -4.83 115.26 110.73 2ctt n ASN 26 Ca 0.00 -0.36 -0.43 0.00 1.68 0.00 0.00 54.58 55.47 2ctt n ASN 26 Cb 0.41 -0.49 -0.02 0.00 -1.54 0.00 0.00 39.78 38.14 2ctt n ASN 26 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2ctt n ILE 27 N -4.04 1.17 -3.66 2.41 2.08 -1.26 -4.99 119.36 111.07 2ctt n ILE 27 Ca 0.06 -0.29 -0.28 0.00 0.56 0.00 0.00 62.75 62.79 2ctt n ILE 27 Cb 0.24 -1.69 -0.16 0.00 -0.75 0.00 0.00 39.64 37.29 2ctt n ILE 27 CO 0.00 0.00 0.00 -0.04 0.56 0.00 0.00 176.55 177.07 2ctt s MET 28 N -0.73 0.42 0.39 0.38 -1.94 -1.26 -4.51 119.30 112.05 2ctt s MET 28 Ca 0.64 -0.48 0.06 0.00 -1.71 0.00 0.00 55.69 54.20 2ctt s MET 28 Cb -0.57 -1.80 0.06 0.00 2.01 0.00 0.00 34.83 34.52 2ctt s MET 28 CO 0.52 -0.80 0.50 -3.47 -0.01 0.00 0.00 175.02 171.76 2ctt n ASP 29 N 5.12 1.54 -4.72 3.03 -0.08 -1.02 -4.89 116.55 115.53 2ctt n ASP 29 Ca -0.07 -2.07 -0.42 0.00 -1.51 0.00 0.00 54.79 50.73 2ctt n ASP 29 Cb 0.45 -0.25 -0.03 0.00 2.34 0.00 0.00 41.12 43.64 2ctt n ASP 29 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2ctt s THR 30 N -1.48 4.49 0.64 5.18 2.01 -1.26 -1.36 115.64 123.86 2ctt s THR 30 Ca 0.38 1.86 -0.17 0.00 0.31 0.00 0.00 61.69 64.07 2ctt s THR 30 Cb -0.03 -4.19 -0.08 0.00 0.01 0.00 0.00 72.50 68.21 2ctt s THR 30 CO 0.24 0.19 0.35 0.00 -0.69 0.00 0.00 174.62 174.71 2ctt n GLU 32 N 0.06 1.72 -0.09 0.00 0.28 -1.26 -2.88 120.64 118.48 2ctt n GLU 32 Ca 0.10 -0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.97 2ctt n GLU 32 Cb 0.49 -1.35 -0.05 0.00 1.43 0.00 0.00 31.44 31.96 2ctt n GLU 32 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 2ctt h ARG 33 N 0.00 0.53 -0.00 3.44 2.43 -1.97 -3.27 114.38 115.55 2ctt h ARG 33 Ca -0.37 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 58.57 2ctt h ARG 33 Cb 1.83 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.37 2ctt h ARG 33 CO 0.02 0.79 -0.65 0.00 -1.51 0.00 0.00 179.97 178.62 2ctt n ASN 35 N -1.02 -6.03 -1.46 0.00 4.13 -1.14 -2.20 115.26 107.55 2ctt n ASN 35 Ca 0.04 -0.45 -0.11 0.00 1.68 0.00 0.00 54.58 55.74 2ctt n ASN 35 Cb 0.28 -4.69 0.01 0.00 -1.54 0.00 0.00 39.78 33.84 2ctt n ASN 35 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ctt n GLY 36 N -1.82 0.01 0.31 7.41 0.00 -1.18 -4.87 105.19 105.05 2ctt n GLY 36 Ca -0.01 -0.37 -0.23 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 -2.24 0.47 0.00 1.61 4.76 -0.93 -4.81 118.16 117.02 2ctt n LYS 37 Ca -0.09 0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 2ctt n LYS 37 Cb 0.58 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 32.48 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 1.62 1.78 3.33 0.72 0.00 -1.26 -4.84 105.19 106.53 2ctt n GLY 38 Ca -0.42 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.29 0.31 1.61 4.22 -1.26 -3.48 114.94 114.05 2ctt s ASN 39 Ca 0.00 -0.08 -0.29 0.00 -2.14 0.00 0.00 52.86 50.35 2ctt s ASN 39 Cb 0.00 0.45 -0.10 0.00 1.28 0.00 0.00 41.25 42.88 2ctt s ASN 39 CO 0.00 -0.74 1.35 -1.61 -2.04 0.00 0.00 177.10 174.06 2ctt s GLU 40 N -2.93 4.32 0.00 3.55 2.02 -1.13 -4.36 118.70 120.16 2ctt s GLU 40 Ca -0.02 2.26 0.10 0.00 0.02 0.00 0.00 54.97 57.33 2ctt s GLU 40 Cb 0.00 -3.07 0.63 0.00 0.10 0.00 0.00 34.13 31.78 2ctt s GLU 40 CO -0.06 -0.27 1.06 -0.35 0.02 0.00 0.00 175.26 175.67 2ctt n PRO 41 N 1.16 0.49 -1.76 0.39 -0.04 -1.26 -2.63 135.00 131.34 2ctt n PRO 41 Ca 0.02 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.50 2ctt n PRO 41 Cb 0.41 -1.34 0.05 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.02 1.92 2.48 0.55 0.00 -1.26 -5.09 105.19 103.77 2ctt n GLY 42 Ca 0.08 -1.04 -0.21 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.02 0.00 -3.67 2.61 -2.24 -1.08 -5.17 114.28 104.72 2ctt n THR 43 Ca 0.10 -1.69 -0.22 0.00 -2.27 0.00 0.00 64.05 59.96 2ctt n THR 43 Cb 1.00 0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 69.66 2ctt n THR 43 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2ctt s LYS 44 N -3.21 2.44 -0.06 -0.78 -2.85 -1.26 -4.99 119.74 109.02 2ctt s LYS 44 Ca 0.07 -1.67 -0.08 0.00 -1.00 0.00 0.00 55.97 53.29 2ctt s LYS 44 Cb 0.00 -2.29 0.02 0.00 -2.06 0.00 0.00 37.83 33.50 2ctt s LYS 44 CO 0.05 -0.29 0.20 0.08 0.10 0.00 0.00 175.35 175.49 2ctt s VAL 45 N -2.55 0.02 -0.17 1.79 1.01 -1.26 -3.98 120.40 115.26 2ctt s VAL 45 Ca 0.45 -0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.24 2ctt s VAL 45 Cb -0.02 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.99 2ctt s VAL 45 CO 0.26 -0.09 -0.05 -1.10 0.00 0.00 0.00 175.10 174.12 2ctt s GLN 46 N -0.27 3.54 0.08 2.72 -0.21 -1.00 -4.97 119.66 119.55 2ctt s GLN 46 Ca -0.04 -0.58 -0.32 0.00 0.02 0.00 0.00 55.36 54.45 2ctt s GLN 46 Cb -0.03 -2.91 -0.11 0.00 1.00 0.00 0.00 33.01 30.97 2ctt s GLN 46 CO 0.01 0.10 1.84 1.58 -2.12 0.00 0.00 175.29 176.70 2ctt n HIS 47 N 3.92 2.52 -2.40 0.91 -0.00 -1.26 -0.23 115.22 118.67 2ctt n HIS 47 Ca -0.18 -0.11 -0.32 0.00 -0.00 0.00 0.00 57.72 57.11 2ctt n HIS 47 Cb 0.52 -2.71 -0.03 0.00 -0.00 0.00 0.00 29.99 27.77 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 -1.61 0.00 -0.24 0.00 -0.00 -1.26 -3.74 115.22 108.36 2ctt n HIS 49 Ca 0.06 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.72 2ctt n HIS 49 Cb 0.54 -0.48 -0.06 0.00 -0.00 0.00 0.00 29.99 29.99 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 -2.97 -0.26 -0.00 1.57 4.02 -1.26 -2.19 117.16 116.07 2ctt n TYR 50 Ca -0.23 0.73 -0.16 0.00 -0.01 0.00 0.00 57.90 58.23 2ctt n TYR 50 Cb 0.73 -0.52 -0.14 0.00 -0.02 0.00 0.00 39.34 39.39 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 1.81 0.65 0.04 0.00 0.00 -0.93 -4.11 105.19 102.64 2ctt n GLY 52 Ca -0.25 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.61 1.91 0.00 -0.02 0.00 -1.22 -4.99 105.19 98.27 2ctt n GLY 53 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.04 4.37 -0.04 1.61 3.41 -1.26 -4.85 113.62 116.90 2ctt n SER 54 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2ctt n SER 54 Cb 0.01 0.56 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 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 2.55 0.84 3.29 5.00 0.00 -1.26 -4.85 105.19 110.75 2ctt n GLY 55 Ca 0.00 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.22 0.47 0.06 1.61 -2.45 -1.26 -3.94 119.30 110.57 2ctt s MET 56 Ca 0.00 0.57 0.06 0.00 -1.25 0.00 0.00 55.69 55.06 2ctt s MET 56 Cb 0.00 0.22 -0.04 0.00 1.25 0.00 0.00 34.83 36.26 2ctt s MET 56 CO 0.00 -0.06 -0.09 -2.00 1.05 0.00 0.00 175.02 173.92 2ctt s GLU 57 N 0.25 2.28 -0.12 4.11 2.56 0.14 -3.95 118.70 123.97 2ctt s GLU 57 Ca -0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 54.97 54.03 2ctt s GLU 57 Cb -0.03 -2.37 -0.03 0.00 2.00 0.00 0.00 34.13 33.70 2ctt s GLU 57 CO 0.00 0.54 -0.02 0.99 -0.56 0.00 0.00 175.26 176.22 2ctt s THR 58 N -1.11 4.12 -0.46 -1.70 2.01 -1.26 -0.74 115.64 116.49 2ctt s THR 58 Ca 0.19 -0.30 0.03 0.00 0.31 0.00 0.00 61.69 61.93 2ctt s THR 58 Cb -0.11 -2.77 0.12 0.00 0.01 0.00 0.00 72.50 69.75 2ctt s THR 58 CO 0.11 0.55 0.19 -0.63 -0.69 0.00 0.00 174.62 174.15 2ctt s ILE 59 N -0.25 2.59 -0.79 1.82 1.09 0.62 -4.97 121.20 121.31 2ctt s ILE 59 Ca 0.05 -2.88 -0.26 0.00 -1.10 0.00 0.00 60.65 56.47 2ctt s ILE 59 Cb -0.12 -2.82 0.01 0.00 -1.06 0.00 0.00 42.46 38.46 2ctt s ILE 59 CO 0.02 -0.73 1.60 0.20 -0.10 0.00 0.00 174.94 175.94 2ctt s ASN 60 N 0.32 5.78 -0.20 3.58 0.01 -1.26 0.59 114.94 123.75 2ctt s ASN 60 Ca 0.14 -0.46 -0.01 0.00 -0.71 0.00 0.00 52.86 51.83 2ctt s ASN 60 Cb -0.23 -2.55 0.01 0.00 0.41 0.00 0.00 41.25 38.89 2ctt s ASN 60 CO -0.03 -2.09 -0.14 0.28 -1.51 0.00 0.00 177.10 173.60 2ctt s THR 61 N 7.35 2.53 0.00 1.60 -1.32 -0.61 -4.97 115.64 120.22 2ctt s THR 61 Ca 0.53 -0.84 0.00 0.00 -1.21 0.00 0.00 61.69 60.17 2ctt s THR 61 Cb -0.08 -2.13 0.00 0.00 -1.51 0.00 0.00 72.50 68.78 2ctt s THR 61 CO 0.09 0.45 0.00 0.61 -2.21 0.00 0.00 174.62 173.56 2ctt n GLY 62 N 4.67 0.78 0.00 6.08 0.00 -1.26 -2.56 105.19 112.90 2ctt n GLY 62 Ca -0.20 -0.75 0.07 0.00 0.00 0.00 0.00 46.02 45.15 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 -4.34 1.61 -0.04 -1.26 -4.72 135.00 126.74 2ctt n PRO 63 Ca 0.00 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.28 2ctt n PRO 63 Cb 0.00 -1.46 -0.10 0.00 -0.04 0.00 0.00 33.50 31.90 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 1.67 -0.13 0.54 -0.71 -1.06 -5.15 117.98 111.15 2ctt s PHE 64 Ca 0.22 -0.63 0.02 0.00 -1.04 0.00 0.00 56.93 55.50 2ctt s PHE 64 Cb 0.10 -0.82 0.01 0.00 -1.21 0.00 0.00 43.02 41.11 2ctt s PHE 64 CO 0.17 0.30 -0.18 0.54 -1.34 0.00 0.00 175.22 174.70 2ctt s VAL 65 N -3.04 1.78 0.57 -2.49 0.11 -1.26 -1.57 120.40 114.49 2ctt s VAL 65 Ca 0.23 -0.80 -0.01 0.00 -2.93 0.00 0.00 61.98 58.46 2ctt s VAL 65 Cb 0.01 -1.60 0.03 0.00 -1.53 0.00 0.00 36.38 33.29 2ctt s VAL 65 CO 0.07 0.49 0.82 -0.04 -3.33 0.00 0.00 175.10 173.12 2ctt s MET 66 N 0.97 2.60 -0.15 1.54 1.00 0.20 -4.90 119.30 120.57 2ctt s MET 66 Ca -0.05 -0.52 -0.04 0.00 0.00 0.00 0.00 55.69 55.08 2ctt s MET 66 Cb -0.15 -2.40 0.07 0.00 0.00 0.00 0.00 34.83 32.35 2ctt s MET 66 CO -0.03 -0.75 0.19 1.03 0.00 0.00 0.00 175.02 175.46 2ctt s ARG 67 N -4.86 0.12 0.07 2.03 1.81 -1.26 -0.28 118.95 116.58 2ctt s ARG 67 Ca 0.56 0.39 0.03 0.00 -1.72 0.00 0.00 55.73 54.99 2ctt s ARG 67 Cb -0.10 -0.76 -0.03 0.00 -0.45 0.00 0.00 34.95 33.61 2ctt s ARG 67 CO 0.40 -0.48 -0.10 0.45 -0.68 0.00 0.00 175.30 174.89 2ctt s SER 68 N 2.31 1.27 0.34 0.23 0.15 0.08 -4.97 113.70 113.10 2ctt s SER 68 Ca 0.04 -0.67 -0.25 0.00 0.70 0.00 0.00 55.95 55.77 2ctt s SER 68 Cb -0.14 0.01 -0.14 0.00 -1.71 0.00 0.00 66.02 64.04 2ctt s SER 68 CO -0.09 -0.20 0.75 0.41 1.20 0.00 0.00 173.24 175.30 2ctt n THR 69 N 1.07 1.94 -0.68 6.45 -1.04 -1.26 0.25 114.28 121.01 2ctt n THR 69 Ca -0.20 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.05 60.99 2ctt n THR 69 Cb 0.56 -0.67 0.17 0.00 -1.82 0.00 0.00 70.33 68.57 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 -2.18 1.85 0.06 0.00 1.74 -1.26 -4.19 116.66 112.67 2ctt n ARG 71 Ca 0.02 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.97 2ctt n ARG 71 Cb 0.60 -0.89 -0.09 0.00 -1.02 0.00 0.00 32.46 31.07 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 -0.14 0.07 5.56 2.47 -1.99 -3.36 114.38 116.99 2ctt h ARG 72 Ca 0.00 0.01 -0.32 0.00 -1.26 0.00 0.00 59.98 58.41 2ctt h ARG 72 Cb 0.78 0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 29.11 2ctt h ARG 72 CO 0.00 0.19 -1.76 0.00 0.56 0.00 0.00 179.97 178.96 2ctt n GLY 74 N 1.76 1.99 1.59 0.00 0.00 -1.26 -4.57 105.19 104.71 2ctt n GLY 74 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.78 0.80 0.03 -0.02 0.00 -1.26 -4.87 105.19 99.08 2ctt n GLY 75 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.64 0.00 0.00 1.61 3.00 -1.26 -4.73 116.66 114.64 2ctt n ARG 76 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2ctt n ARG 76 Cb 0.48 -0.98 0.00 0.00 0.00 0.00 0.00 32.46 31.96 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 3.47 2.07 3.40 5.14 0.00 -1.26 -4.63 105.19 113.38 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 -1.83 0.01 -0.49 1.61 0.01 -1.26 -2.92 113.70 108.83 2ctt s SER 78 Ca 0.00 -0.97 -0.19 0.00 1.31 0.00 0.00 55.95 56.10 2ctt s SER 78 Cb 0.00 0.48 0.05 0.00 0.21 0.00 0.00 66.02 66.76 2ctt s SER 78 CO 0.00 -0.97 0.59 -0.63 0.41 0.00 0.00 173.24 172.64 2ctt s ILE 79 N -4.01 4.92 -0.82 1.44 1.09 0.67 -4.51 121.20 119.97 2ctt s ILE 79 Ca 0.22 -0.44 -0.25 0.00 -1.10 0.00 0.00 60.65 59.08 2ctt s ILE 79 Cb 0.03 -4.25 0.02 0.00 -1.06 0.00 0.00 42.46 37.20 2ctt s ILE 79 CO 0.05 -0.72 1.52 -0.63 -0.10 0.00 0.00 174.94 175.05 2ctt s ILE 80 N 2.53 3.68 0.38 2.92 1.01 -1.26 -2.37 121.20 128.09 2ctt s ILE 80 Ca 0.15 -0.06 0.15 0.00 0.00 0.00 0.00 60.65 60.88 2ctt s ILE 80 Cb -0.19 -4.67 0.36 0.00 0.01 0.00 0.00 42.46 37.97 2ctt s ILE 80 CO 0.13 -1.60 1.79 0.40 0.00 0.00 0.00 174.94 175.66 2ctt h ILE 81 N 6.56 0.61 -3.50 2.92 5.03 -1.96 -3.33 117.51 123.84 2ctt h ILE 81 Ca -0.09 -0.17 -0.61 0.00 -0.12 0.00 0.00 64.86 63.87 2ctt h ILE 81 Cb 1.05 0.07 -0.39 0.00 -3.03 0.00 0.00 36.82 34.52 2ctt h ILE 81 CO 1.30 0.09 -0.76 -0.44 -0.68 0.00 0.00 178.15 177.66 2ctt s SER 82 N -5.39 4.01 0.28 1.72 0.01 -1.26 -5.10 113.70 107.98 2ctt s SER 82 Ca -0.09 -1.46 -0.29 0.00 1.31 0.00 0.00 55.95 55.42 2ctt s SER 82 Cb 0.25 -1.15 -0.10 0.00 0.21 0.00 0.00 66.02 65.23 2ctt s SER 82 CO 0.80 -0.31 1.24 -2.16 0.41 0.00 0.00 173.24 173.22 2ctt s PRO 83 N 1.39 4.45 0.57 12.44 0.04 -1.25 -2.83 135.00 149.80 2ctt s PRO 83 Ca 0.02 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 62.93 2ctt s PRO 83 Cb -0.18 -3.14 -0.13 0.00 0.04 0.00 0.00 34.50 31.09 2ctt s PRO 83 CO -0.11 -0.08 -0.05 0.00 0.04 0.00 0.00 177.00 176.80 2ctt n VAL 85 N -1.67 0.46 -0.08 0.00 0.24 -1.26 -3.22 118.33 112.81 2ctt n VAL 85 Ca 0.08 -0.73 -0.14 0.00 -2.04 0.00 0.00 64.34 61.50 2ctt n VAL 85 Cb 0.48 0.96 -0.05 0.00 -1.47 0.00 0.00 33.84 33.77 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 1.02 1.27 0.74 3.34 0.31 -1.26 -4.72 118.33 119.03 2ctt n VAL 86 Ca 0.14 -0.04 0.09 0.00 -0.01 0.00 0.00 64.34 64.51 2ctt n VAL 86 Cb 0.48 -1.96 -0.11 0.00 -0.91 0.00 0.00 33.84 31.34 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 -1.55 -5.19 -3.46 0.00 5.12 -1.20 -3.19 116.66 107.20 2ctt n ARG 88 Ca 0.02 0.64 -0.20 0.00 -1.93 0.00 0.00 57.85 56.39 2ctt n ARG 88 Cb 0.32 -5.05 0.08 0.00 -1.16 0.00 0.00 32.46 26.65 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 -1.19 -0.40 0.05 -0.13 0.00 -1.26 -4.85 105.19 97.41 2ctt n GLY 89 Ca -0.18 0.15 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.46 1.76 0.00 4.61 0.00 -1.19 -4.93 120.51 116.30 2ctt n ALA 90 Ca -0.13 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.68 2ctt n ALA 90 Cb 0.61 0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.12 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 2.46 2.46 3.22 0.00 0.00 -1.26 -5.02 105.19 107.05 2ctt n GLY 91 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.99 1.02 0.36 1.61 1.11 -1.26 -2.85 119.66 118.65 2ctt s GLN 92 Ca 0.00 -1.45 -0.05 0.00 0.01 0.00 0.00 55.36 53.87 2ctt s GLN 92 Cb 0.00 -0.35 0.02 0.00 -1.01 0.00 0.00 33.01 31.67 2ctt s GLN 92 CO 0.00 -0.04 0.56 0.00 0.01 0.00 0.00 175.29 175.82 2ctt s ALA 93 N -3.55 0.48 -0.57 6.09 0.00 -0.47 -4.51 121.76 119.23 2ctt s ALA 93 Ca 0.18 -1.38 -0.21 0.00 0.00 0.00 0.00 51.96 50.55 2ctt s ALA 93 Cb 0.05 1.04 0.06 0.00 0.00 0.00 0.00 23.12 24.28 2ctt s ALA 93 CO 0.00 -0.84 0.80 -1.59 0.00 0.00 0.00 175.76 174.13 2ctt s LYS 94 N -2.78 3.16 -0.25 0.00 -2.85 -1.26 -2.43 119.74 113.32 2ctt s LYS 94 Ca 0.27 -0.80 -0.15 0.00 -1.00 0.00 0.00 55.97 54.29 2ctt s LYS 94 Cb -0.02 -4.15 -0.11 0.00 -2.06 0.00 0.00 37.83 31.49 2ctt s LYS 94 CO 0.19 -1.48 -0.29 1.04 0.10 0.00 0.00 175.35 174.90 2ctt n GLN 95 N 6.88 0.57 -4.28 1.78 3.00 -1.26 -5.01 117.38 119.06 2ctt n GLN 95 Ca -0.04 0.29 -0.24 0.00 -0.01 0.00 0.00 57.00 57.00 2ctt n GLN 95 Cb 0.45 -1.51 -0.08 0.00 0.00 0.00 0.00 30.24 29.10 2ctt n GLN 95 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2ctt s LYS 96 N -2.56 2.15 0.11 -1.09 -0.14 -1.26 -5.10 119.74 111.85 2ctt s LYS 96 Ca -0.35 -1.70 0.10 0.00 -1.36 0.00 0.00 55.97 52.65 2ctt s LYS 96 Cb 0.12 -1.99 -0.04 0.00 -1.68 0.00 0.00 37.83 34.24 2ctt s LYS 96 CO 0.48 0.13 -0.25 0.15 -0.76 0.00 0.00 175.35 175.10 2ctt s LYS 97 N -3.75 1.36 0.05 1.68 -0.14 -1.26 -4.33 119.74 113.36 2ctt s LYS 97 Ca 0.35 -1.25 0.00 0.00 -1.36 0.00 0.00 55.97 53.71 2ctt s LYS 97 Cb -0.01 -1.74 0.00 0.00 -1.68 0.00 0.00 37.83 34.40 2ctt s LYS 97 CO 0.20 0.42 0.00 -2.13 -0.76 0.00 0.00 175.35 173.08 2ctt n ARG 98 N 1.10 0.00 -0.03 1.68 0.00 -1.26 -4.93 116.66 113.22 2ctt n ARG 98 Ca -0.18 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.63 2ctt n ARG 98 Cb 0.53 -0.23 -0.01 0.00 0.00 0.00 0.00 32.46 32.74 2ctt n ARG 98 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2ctt n SER 99 N -2.99 1.15 0.00 6.15 2.88 -1.26 -5.08 113.62 114.46 2ctt n SER 99 Ca 0.00 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 2ctt n SER 99 Cb 0.00 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.95 2ctt n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ctt n GLY 100 N 2.22 2.37 3.74 0.46 0.00 -1.26 -5.06 105.19 107.66 2ctt n GLY 100 Ca -0.06 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 2ctt n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ctt s PRO 101 N 0.00 4.41 0.12 1.61 0.04 -1.26 -5.03 135.00 134.89 2ctt s PRO 101 Ca 0.00 2.05 -0.05 0.00 0.04 0.00 0.00 61.00 63.04 2ctt s PRO 101 Cb 0.00 -3.18 -0.02 0.00 0.04 0.00 0.00 34.50 31.34 2ctt s PRO 101 CO 0.00 -0.20 0.14 -1.12 0.04 0.00 0.00 177.00 175.85 2ctt s SER 102 N 0.14 0.22 0.20 6.66 0.01 -1.26 -5.09 113.70 114.58 2ctt s SER 102 Ca 0.55 -0.96 0.08 0.00 1.31 0.00 0.00 55.95 56.92 2ctt s SER 102 Cb -0.36 0.33 -0.04 0.00 0.21 0.00 0.00 66.02 66.16 2ctt s SER 102 CO 0.40 -0.76 0.01 -0.55 0.41 0.00 0.00 173.24 172.75 2ctt s SER 103 N -2.96 4.77 0.00 2.44 0.15 -1.26 -5.20 113.70 111.63 2ctt s SER 103 Ca 0.15 -0.44 0.09 0.00 0.70 0.00 0.00 55.95 56.45 2ctt s SER 103 Cb 0.06 -1.00 0.53 0.00 -1.71 0.00 0.00 66.02 63.90 2ctt s SER 103 CO -0.03 0.06 0.98 0.61 1.20 0.00 0.00 173.24 176.06