#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 -0.73 -0.17 1.61 0.01 -1.26 -5.17 113.70 107.99 2ctt s SER 2 Ca 0.00 1.29 -0.30 0.00 1.31 0.00 0.00 55.95 58.25 2ctt s SER 2 Cb 0.00 1.30 0.14 0.00 0.21 0.00 0.00 66.02 67.67 2ctt s SER 2 CO 0.00 -0.21 1.06 -0.55 0.41 0.00 0.00 173.24 173.94 2ctt s SER 3 N 0.85 -0.31 0.00 2.44 0.15 -1.26 -5.17 113.70 110.41 2ctt s SER 3 Ca -0.04 0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.93 2ctt s SER 3 Cb -0.05 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 2ctt s SER 3 CO -0.09 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.66 2ctt n GLY 4 N 0.63 1.68 2.89 9.45 0.00 -1.26 -5.17 105.19 113.42 2ctt n GLY 4 Ca -0.08 0.43 -0.14 0.00 0.00 0.00 0.00 46.02 46.23 2ctt n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ctt s SER 5 N 0.00 -0.07 0.19 1.61 1.04 -1.26 -5.16 113.70 110.06 2ctt s SER 5 Ca 0.00 0.23 -0.13 0.00 0.48 0.00 0.00 55.95 56.53 2ctt s SER 5 Cb 0.00 0.13 0.01 0.00 0.10 0.00 0.00 66.02 66.26 2ctt s SER 5 CO 0.00 -0.13 0.41 -0.55 0.98 0.00 0.00 173.24 173.95 2ctt s SER 6 N 1.03 -0.09 0.00 7.02 0.15 -1.26 -5.16 113.70 115.38 2ctt s SER 6 Ca -0.08 -0.74 0.00 0.00 0.70 0.00 0.00 55.95 55.82 2ctt s SER 6 Cb -0.11 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 2ctt s SER 6 CO -0.05 -1.00 0.00 0.61 1.20 0.00 0.00 173.24 174.00 2ctt n GLY 7 N -0.30 2.37 3.61 9.45 0.00 -1.26 -5.19 105.19 113.87 2ctt n GLY 7 Ca -0.07 0.32 -0.08 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 1.25 -0.11 1.61 -2.45 -1.26 -5.18 119.30 113.16 2ctt s MET 8 Ca 0.00 -0.58 -0.21 0.00 -1.25 0.00 0.00 55.69 53.65 2ctt s MET 8 Cb 0.00 0.50 0.05 0.00 1.25 0.00 0.00 34.83 36.63 2ctt s MET 8 CO 0.00 -0.56 0.51 -2.00 1.05 0.00 0.00 175.02 174.02 2ctt s GLU 9 N -3.52 0.75 0.32 4.11 2.12 -1.26 -5.18 118.70 116.04 2ctt s GLU 9 Ca 0.07 0.38 0.06 0.00 0.36 0.00 0.00 54.97 55.84 2ctt s GLU 9 Cb -0.02 0.35 -0.03 0.00 0.26 0.00 0.00 34.13 34.69 2ctt s GLU 9 CO -0.04 -0.17 0.26 -0.51 -0.54 0.00 0.00 175.26 174.26 2ctt s LEU 10 N -0.51 1.71 0.15 2.70 1.43 -1.26 -5.18 118.68 117.71 2ctt s LEU 10 Ca -0.06 -1.72 -0.08 0.00 -1.03 0.00 0.00 54.13 51.24 2ctt s LEU 10 Cb -0.03 0.51 -0.01 0.00 0.03 0.00 0.00 46.19 46.69 2ctt s LEU 10 CO 0.04 -1.04 0.23 0.28 0.23 0.00 0.00 176.35 176.10 2ctt s THR 11 N -3.50 0.08 0.20 5.49 -1.32 -1.26 -5.18 115.64 110.16 2ctt s THR 11 Ca 0.40 -1.44 0.06 0.00 -1.21 0.00 0.00 61.69 59.50 2ctt s THR 11 Cb 0.03 -1.80 -0.05 0.00 -1.51 0.00 0.00 72.50 69.17 2ctt s THR 11 CO 0.26 -0.38 -0.09 0.12 -2.21 0.00 0.00 174.62 172.32 2ctt s PHE 12 N -3.96 1.59 0.25 9.09 5.36 -1.26 -5.17 117.98 123.88 2ctt s PHE 12 Ca 0.16 -0.71 -0.03 0.00 -0.96 0.00 0.00 56.93 55.40 2ctt s PHE 12 Cb 0.04 -0.82 -0.03 0.00 -0.34 0.00 0.00 43.02 41.87 2ctt s PHE 12 CO -0.01 0.19 0.27 1.21 -1.46 0.00 0.00 175.22 175.42 2ctt s ASN 13 N -3.29 0.40 -0.28 6.13 2.47 -1.26 -5.18 114.94 113.93 2ctt s ASN 13 Ca 0.23 -1.35 -0.25 0.00 0.42 0.00 0.00 52.86 51.91 2ctt s ASN 13 Cb 0.02 0.48 0.13 0.00 -1.45 0.00 0.00 41.25 40.44 2ctt s ASN 13 CO 0.06 -0.99 1.09 -1.58 -3.72 0.00 0.00 177.10 171.96 2ctt s GLN 14 N -3.90 0.44 0.32 0.43 0.74 -1.26 -5.19 119.66 111.25 2ctt s GLN 14 Ca 0.34 0.48 0.03 0.00 0.05 0.00 0.00 55.36 56.27 2ctt s GLN 14 Cb 0.04 0.21 -0.04 0.00 1.10 0.00 0.00 33.01 34.32 2ctt s GLN 14 CO 0.14 -0.06 0.14 0.00 -0.55 0.00 0.00 175.29 174.97 2ctt s ALA 15 N 0.09 2.14 -0.28 1.58 0.00 -1.26 -5.17 121.76 118.86 2ctt s ALA 15 Ca 0.04 -1.71 -0.26 0.00 0.00 0.00 0.00 51.96 50.03 2ctt s ALA 15 Cb -0.05 1.04 0.16 0.00 0.00 0.00 0.00 23.12 24.27 2ctt s ALA 15 CO -0.07 -0.46 1.24 0.00 0.00 0.00 0.00 175.76 176.47 2ctt s ALA 16 N -3.52 -2.10 0.12 0.00 0.00 -1.26 -5.19 121.76 109.83 2ctt s ALA 16 Ca 0.34 1.76 -0.04 0.00 0.00 0.00 0.00 51.96 54.02 2ctt s ALA 16 Cb 0.05 -1.54 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 2ctt s ALA 16 CO 0.17 -0.18 0.12 0.15 0.00 0.00 0.00 175.76 176.02 2ctt s LYS 17 N -0.07 0.94 -0.42 0.00 -0.14 -1.26 -5.10 119.74 113.69 2ctt s LYS 17 Ca 0.05 -1.28 0.07 0.00 -1.36 0.00 0.00 55.97 53.45 2ctt s LYS 17 Cb -0.04 0.29 0.33 0.00 -1.68 0.00 0.00 37.83 36.72 2ctt s LYS 17 CO -0.10 -0.29 1.23 0.41 -0.76 0.00 0.00 175.35 175.84 2ctt n GLY 18 N -0.10 0.59 3.52 -3.33 0.00 -1.26 -5.13 105.19 99.49 2ctt n GLY 18 Ca -0.08 0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 2ctt n GLY 18 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ctt s VAL 19 N 0.21 4.26 0.04 1.61 -7.23 -1.26 -5.07 120.40 112.96 2ctt s VAL 19 Ca 0.21 -0.21 -0.27 0.00 -1.81 0.00 0.00 61.98 59.89 2ctt s VAL 19 Cb 0.32 -2.92 0.09 0.00 0.56 0.00 0.00 36.38 34.42 2ctt s VAL 19 CO -0.08 0.44 1.22 0.21 -0.31 0.00 0.00 175.10 176.58 2ctt s ASN 20 N 0.76 -0.01 -1.75 4.85 2.47 -1.26 -4.99 114.94 115.02 2ctt s ASN 20 Ca 0.01 -0.31 -0.20 0.00 0.42 0.00 0.00 52.86 52.78 2ctt s ASN 20 Cb -0.14 0.24 0.20 0.00 -1.45 0.00 0.00 41.25 40.10 2ctt s ASN 20 CO 0.02 -0.47 0.50 2.29 -3.72 0.00 0.00 177.10 175.72 2ctt n LYS 21 N -0.79 -0.75 -2.00 0.43 2.85 -1.26 -4.80 118.16 111.84 2ctt n LYS 21 Ca 0.00 0.13 -0.42 0.00 -1.05 0.00 0.00 58.31 56.97 2ctt n LYS 21 Cb 0.59 -4.34 -0.03 0.00 -0.65 0.00 0.00 35.03 30.61 2ctt n LYS 21 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 2ctt s GLU 22 N -6.94 4.24 -0.05 -1.58 2.12 -1.26 -4.75 118.70 110.48 2ctt s GLU 22 Ca 0.70 2.27 0.05 0.00 0.36 0.00 0.00 54.97 58.35 2ctt s GLU 22 Cb -0.41 -3.28 -0.00 0.00 0.26 0.00 0.00 34.13 30.70 2ctt s GLU 22 CO 0.97 -0.59 -0.19 -0.06 -0.54 0.00 0.00 175.26 174.85 2ctt s PHE 23 N 1.47 1.88 -0.47 5.30 0.08 -1.26 -5.04 117.98 119.93 2ctt s PHE 23 Ca 0.69 -0.55 0.04 0.00 0.12 0.00 0.00 56.93 57.23 2ctt s PHE 23 Cb -0.41 -1.26 0.43 0.00 -0.57 0.00 0.00 43.02 41.22 2ctt s PHE 23 CO 0.31 -0.18 1.42 2.41 -0.10 0.00 0.00 175.22 179.07 2ctt n THR 24 N 3.12 2.81 -4.87 0.64 -1.04 -1.26 -4.84 114.28 108.84 2ctt n THR 24 Ca -0.18 -4.23 -0.26 0.00 -2.04 0.00 0.00 64.05 57.34 2ctt n THR 24 Cb 0.53 -1.20 -0.15 0.00 -1.82 0.00 0.00 70.33 67.69 2ctt n THR 24 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2ctt s VAL 25 N -4.98 1.59 -1.40 12.58 -7.23 -1.26 -4.72 120.40 114.98 2ctt s VAL 25 Ca 0.53 -0.95 -0.05 0.00 -1.81 0.00 0.00 61.98 59.69 2ctt s VAL 25 Cb 0.43 -1.34 0.03 0.00 0.56 0.00 0.00 36.38 36.05 2ctt s VAL 25 CO -0.10 0.37 0.43 -3.20 -0.31 0.00 0.00 175.10 172.29 2ctt n ASN 26 N 2.37 -4.90 -4.57 4.85 5.15 -1.26 -4.81 115.26 112.09 2ctt n ASN 26 Ca -0.16 -0.23 -0.21 0.00 -0.60 0.00 0.00 54.58 53.38 2ctt n ASN 26 Cb 0.53 -4.02 -0.07 0.00 -0.53 0.00 0.00 39.78 35.69 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 -3.00 3.28 -0.16 -1.44 1.01 -1.26 -4.85 121.20 114.78 2ctt s ILE 27 Ca 0.27 -0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.52 2ctt s ILE 27 Cb -0.13 -3.96 0.05 0.00 0.01 0.00 0.00 42.46 38.43 2ctt s ILE 27 CO 0.34 -0.53 0.04 -0.04 0.00 0.00 0.00 174.94 174.74 2ctt s MET 28 N 7.63 0.48 0.39 2.79 -1.94 -1.26 -3.92 119.30 123.47 2ctt s MET 28 Ca 0.77 -0.20 0.04 0.00 -1.71 0.00 0.00 55.69 54.58 2ctt s MET 28 Cb -0.06 -1.75 -0.04 0.00 2.01 0.00 0.00 34.83 34.99 2ctt s MET 28 CO 0.10 -0.56 0.08 0.34 -0.01 0.00 0.00 175.02 174.96 2ctt s ASP 29 N 1.96 2.89 0.11 3.03 2.15 0.17 -4.89 116.67 122.08 2ctt s ASP 29 Ca 0.01 -1.54 -0.35 0.00 0.43 0.00 0.00 52.55 51.11 2ctt s ASP 29 Cb -0.16 0.23 -0.14 0.00 -0.30 0.00 0.00 42.92 42.55 2ctt s ASP 29 CO -0.07 -0.77 1.57 0.41 -0.17 0.00 0.00 175.17 176.14 2ctt n THR 30 N -0.88 0.07 -0.88 1.71 -1.04 -1.26 0.76 114.28 112.77 2ctt n THR 30 Ca -0.06 -0.01 -0.35 0.00 -2.04 0.00 0.00 64.05 61.58 2ctt n THR 30 Cb 0.66 -1.43 0.09 0.00 -1.82 0.00 0.00 70.33 67.83 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 0.32 0.44 0.01 0.00 1.02 -1.26 -3.47 120.64 117.70 2ctt n GLU 32 Ca 0.01 0.04 -0.12 0.00 -0.02 0.00 0.00 57.16 57.07 2ctt n GLU 32 Cb 0.59 -1.15 -0.07 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 0.06 0.00 3.49 2.43 -1.97 -3.12 114.38 115.27 2ctt h ARG 33 Ca -0.17 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 2ctt h ARG 33 Cb 1.27 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 2ctt h ARG 33 CO -0.02 0.17 -0.94 0.00 -1.51 0.00 0.00 179.97 177.67 2ctt n ASN 35 N -1.65 -5.39 -0.83 0.00 5.03 -1.18 -2.58 115.26 108.65 2ctt n ASN 35 Ca 0.03 -0.43 -0.07 0.00 0.87 0.00 0.00 54.58 54.99 2ctt n ASN 35 Cb 0.37 -4.07 -0.00 0.00 -1.02 0.00 0.00 39.78 35.06 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 -1.68 0.09 0.17 7.41 0.00 -1.23 -4.87 105.19 105.09 2ctt n GLY 36 Ca 0.00 -0.58 -0.17 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.69 0.52 0.00 1.61 4.76 -1.06 -4.89 118.16 117.41 2ctt n LYS 37 Ca -0.08 0.22 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 2ctt n LYS 37 Cb 0.56 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 32.36 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 1.49 1.48 3.17 0.72 0.00 -1.26 -4.86 105.19 105.93 2ctt n GLY 38 Ca -0.29 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 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 0.11 0.31 1.61 4.22 -1.26 -2.89 114.94 115.04 2ctt s ASN 39 Ca 0.00 -0.51 -0.29 0.00 -2.14 0.00 0.00 52.86 49.92 2ctt s ASN 39 Cb 0.00 0.29 -0.11 0.00 1.28 0.00 0.00 41.25 42.71 2ctt s ASN 39 CO 0.00 -0.60 1.50 -1.61 -2.04 0.00 0.00 177.10 174.35 2ctt s GLU 40 N -3.02 4.18 0.00 3.55 0.41 -1.11 -4.40 118.70 118.30 2ctt s GLU 40 Ca -0.02 2.47 0.06 0.00 -0.41 0.00 0.00 54.97 57.07 2ctt s GLU 40 Cb 0.01 -3.04 0.36 0.00 -1.78 0.00 0.00 34.13 29.69 2ctt s GLU 40 CO -0.06 -0.51 0.82 -0.35 -0.49 0.00 0.00 175.26 174.67 2ctt n PRO 41 N 1.66 0.49 -0.11 0.39 -0.04 -1.26 -2.15 135.00 133.98 2ctt n PRO 41 Ca 0.05 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.56 2ctt n PRO 41 Cb 0.39 -1.19 0.07 0.00 -0.04 0.00 0.00 33.50 32.73 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 3.19 3.62 0.55 0.00 -1.26 -5.06 105.19 106.21 2ctt n GLY 42 Ca 0.05 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.76 0.79 0.45 2.61 -4.23 -0.92 -5.17 115.64 107.42 2ctt s THR 43 Ca 0.17 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.70 2ctt s THR 43 Cb 0.14 -2.24 0.02 0.00 1.34 0.00 0.00 72.50 71.76 2ctt s THR 43 CO 0.02 0.00 0.20 0.29 -0.54 0.00 0.00 174.62 174.59 2ctt n LYS 44 N -1.07 0.87 -3.84 3.99 5.02 -1.26 -4.95 118.16 116.92 2ctt n LYS 44 Ca -0.12 -2.99 -0.12 0.00 -2.02 0.00 0.00 58.31 53.07 2ctt n LYS 44 Cb 0.66 0.53 -0.10 0.00 -0.02 0.00 0.00 35.03 36.09 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 -2.40 0.05 0.02 -0.18 1.01 -1.26 -4.14 120.40 113.50 2ctt s VAL 45 Ca 0.15 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.72 2ctt s VAL 45 Cb -0.01 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 2ctt s VAL 45 CO 0.10 -0.25 -0.05 -1.10 0.00 0.00 0.00 175.10 173.80 2ctt s GLN 46 N -0.90 2.56 0.33 2.72 -0.21 -1.01 -4.97 119.66 118.18 2ctt s GLN 46 Ca -0.10 -0.73 -0.29 0.00 0.02 0.00 0.00 55.36 54.26 2ctt s GLN 46 Cb -0.05 -2.52 -0.10 0.00 1.00 0.00 0.00 33.01 31.33 2ctt s GLN 46 CO 0.01 0.60 1.32 -1.58 -2.12 0.00 0.00 175.29 173.52 2ctt s HIS 47 N -1.05 3.02 0.41 0.91 5.65 -1.26 0.05 115.29 123.02 2ctt s HIS 47 Ca 0.18 1.39 -0.01 0.00 0.25 0.00 0.00 55.06 56.87 2ctt s HIS 47 Cb -0.11 -3.70 -0.02 0.00 -1.18 0.00 0.00 32.58 27.56 2ctt s HIS 47 CO 0.09 -1.95 0.64 0.00 -0.65 0.00 0.00 174.74 172.87 2ctt n HIS 49 N -1.99 0.00 -0.24 0.00 -0.00 -1.26 -3.92 115.22 107.81 2ctt n HIS 49 Ca -0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.64 2ctt n HIS 49 Cb 0.57 -0.22 -0.06 0.00 -0.00 0.00 0.00 29.99 30.28 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 -3.10 -0.25 -0.02 1.57 4.02 -1.26 -1.83 117.16 116.29 2ctt n TYR 50 Ca -0.12 0.71 -0.18 0.00 -0.01 0.00 0.00 57.90 58.30 2ctt n TYR 50 Cb 0.59 -0.52 -0.14 0.00 -0.02 0.00 0.00 39.34 39.26 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 1.92 0.69 0.04 0.00 0.00 -0.76 -4.33 105.19 102.75 2ctt n GLY 52 Ca -0.30 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.51 1.05 0.00 -0.02 0.00 -1.22 -4.97 105.19 97.51 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 1.44 0.00 0.00 0.00 173.32 174.76 2ctt n SER 54 N 0.04 1.46 0.00 1.61 7.64 -1.26 -4.83 113.62 118.29 2ctt n SER 54 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2ctt n SER 54 Cb 0.01 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 2ctt n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ctt n GLY 55 N 2.08 1.11 2.97 0.23 0.00 -1.26 -4.70 105.19 105.61 2ctt n GLY 55 Ca 0.00 -0.12 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.46 0.72 0.11 1.61 -2.45 -1.26 -3.65 119.30 113.92 2ctt s MET 56 Ca 0.00 -0.23 0.07 0.00 -1.25 0.00 0.00 55.69 54.28 2ctt s MET 56 Cb 0.00 -0.70 -0.04 0.00 1.25 0.00 0.00 34.83 35.34 2ctt s MET 56 CO 0.00 0.09 -0.09 -2.00 1.05 0.00 0.00 175.02 174.07 2ctt s GLU 57 N 0.17 2.14 -0.15 4.11 2.56 -0.10 -3.91 118.70 123.53 2ctt s GLU 57 Ca -0.02 -1.03 0.01 0.00 0.00 0.00 0.00 54.97 53.93 2ctt s GLU 57 Cb -0.07 -2.31 0.01 0.00 2.00 0.00 0.00 34.13 33.76 2ctt s GLU 57 CO 0.00 0.50 -0.19 0.99 -0.56 0.00 0.00 175.26 176.00 2ctt s THR 58 N -1.25 2.26 -0.60 -1.70 2.01 -1.26 -2.61 115.64 112.48 2ctt s THR 58 Ca 0.22 -0.90 -0.11 0.00 0.31 0.00 0.00 61.69 61.20 2ctt s THR 58 Cb -0.11 -1.93 0.15 0.00 0.01 0.00 0.00 72.50 70.63 2ctt s THR 58 CO 0.14 0.54 0.51 -0.63 -0.69 0.00 0.00 174.62 174.49 2ctt s ILE 59 N 0.91 4.78 -0.70 1.82 1.09 -0.95 -4.97 121.20 123.18 2ctt s ILE 59 Ca -0.04 -2.04 -0.27 0.00 -1.10 0.00 0.00 60.65 57.20 2ctt s ILE 59 Cb -0.15 -4.06 0.03 0.00 -1.06 0.00 0.00 42.46 37.22 2ctt s ILE 59 CO -0.03 -0.88 1.23 0.20 -0.10 0.00 0.00 174.94 175.36 2ctt s ASN 60 N 2.53 6.22 -0.25 3.58 -0.87 -1.26 -1.02 114.94 123.86 2ctt s ASN 60 Ca 0.10 -0.39 0.01 0.00 -1.57 0.00 0.00 52.86 51.00 2ctt s ASN 60 Cb -0.22 -2.55 0.07 0.00 -0.02 0.00 0.00 41.25 38.53 2ctt s ASN 60 CO -0.02 -1.74 -0.02 0.28 -2.57 0.00 0.00 177.10 173.03 2ctt s THR 61 N 5.44 1.49 0.00 1.60 -1.32 -0.84 -5.02 115.64 116.98 2ctt s THR 61 Ca 0.35 -1.34 0.00 0.00 -1.21 0.00 0.00 61.69 59.49 2ctt s THR 61 Cb -0.09 -1.85 0.00 0.00 -1.51 0.00 0.00 72.50 69.06 2ctt s THR 61 CO 0.17 -0.23 0.00 0.61 -2.21 0.00 0.00 174.62 172.95 2ctt n GLY 62 N 4.66 0.30 0.00 6.08 0.00 -1.26 -2.90 105.19 112.07 2ctt n GLY 62 Ca -0.09 -0.89 0.05 0.00 0.00 0.00 0.00 46.02 45.10 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 -4.39 1.61 -0.04 -1.26 -4.73 135.00 126.68 2ctt n PRO 63 Ca 0.00 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.27 2ctt n PRO 63 Cb 0.00 -1.35 -0.10 0.00 -0.04 0.00 0.00 33.50 32.01 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 1.77 -0.01 0.54 -0.12 -1.14 -5.17 117.98 111.85 2ctt s PHE 64 Ca 0.16 -0.94 -0.02 0.00 -0.05 0.00 0.00 56.93 56.08 2ctt s PHE 64 Cb 0.07 -1.09 0.00 0.00 -0.63 0.00 0.00 43.02 41.38 2ctt s PHE 64 CO 0.12 -0.01 0.05 0.54 -0.05 0.00 0.00 175.22 175.87 2ctt s VAL 65 N -3.36 0.02 0.45 -2.49 0.11 -1.26 -1.99 120.40 111.88 2ctt s VAL 65 Ca 0.33 -0.15 0.08 0.00 -2.93 0.00 0.00 61.98 59.31 2ctt s VAL 65 Cb 0.07 -0.13 0.01 0.00 -1.53 0.00 0.00 36.38 34.80 2ctt s VAL 65 CO 0.12 -0.08 0.52 -0.04 -3.33 0.00 0.00 175.10 172.29 2ctt s MET 66 N -0.23 2.61 -0.09 1.54 -1.94 -0.19 -4.95 119.30 116.05 2ctt s MET 66 Ca -0.03 -1.45 -0.03 0.00 -1.71 0.00 0.00 55.69 52.47 2ctt s MET 66 Cb -0.02 -2.56 0.04 0.00 2.01 0.00 0.00 34.83 34.30 2ctt s MET 66 CO 0.00 -0.34 0.05 1.03 -0.01 0.00 0.00 175.02 175.75 2ctt s ARG 67 N -4.31 0.18 0.04 2.03 1.81 -1.26 -2.23 118.95 115.21 2ctt s ARG 67 Ca 0.52 0.13 -0.02 0.00 -1.72 0.00 0.00 55.73 54.64 2ctt s ARG 67 Cb -0.06 -1.09 -0.02 0.00 -0.45 0.00 0.00 34.95 33.32 2ctt s ARG 67 CO 0.31 -0.44 0.01 0.45 -0.68 0.00 0.00 175.30 174.96 2ctt s SER 68 N 2.09 0.29 0.27 0.23 0.15 -1.07 -5.03 113.70 110.63 2ctt s SER 68 Ca 0.04 -0.66 -0.31 0.00 0.70 0.00 0.00 55.95 55.72 2ctt s SER 68 Cb -0.14 0.18 -0.12 0.00 -1.71 0.00 0.00 66.02 64.23 2ctt s SER 68 CO -0.05 -0.46 1.58 0.41 1.20 0.00 0.00 173.24 175.91 2ctt n THR 69 N 0.86 0.82 -1.29 6.45 -1.04 -1.26 -0.92 114.28 117.91 2ctt n THR 69 Ca -0.19 -0.21 -0.38 0.00 -2.04 0.00 0.00 64.05 61.23 2ctt n THR 69 Cb 0.58 -1.85 0.03 0.00 -1.82 0.00 0.00 70.33 67.27 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 0.75 1.20 0.21 0.00 3.00 -1.26 -3.34 116.66 117.22 2ctt n ARG 71 Ca 0.08 0.04 -0.14 0.00 -0.01 0.00 0.00 57.85 57.82 2ctt n ARG 71 Cb 0.49 -1.32 -0.08 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 -0.51 0.12 5.56 2.47 -1.98 -3.34 114.38 116.70 2ctt h ARG 72 Ca -0.35 0.03 -0.35 0.00 -1.26 0.00 0.00 59.98 58.05 2ctt h ARG 72 Cb 1.67 0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 30.09 2ctt h ARG 72 CO -0.02 -0.23 -1.92 0.00 0.56 0.00 0.00 179.97 178.36 2ctt n GLY 74 N 1.94 1.66 1.46 0.00 0.00 -1.21 -4.51 105.19 104.52 2ctt n GLY 74 Ca -0.31 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.83 0.63 0.00 -0.02 0.00 -1.25 -4.86 105.19 98.87 2ctt n GLY 75 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.04 1.04 0.00 1.61 0.63 -1.26 -4.71 116.66 112.92 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 0.51 -0.71 0.00 0.00 0.45 0.00 0.00 32.46 32.71 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 1.86 0.69 3.21 5.14 0.00 -1.26 -4.61 105.19 110.21 2ctt n GLY 77 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.97 0.14 -0.34 1.61 0.01 -1.26 -2.21 113.70 109.68 2ctt s SER 78 Ca 0.00 -0.71 -0.18 0.00 1.31 0.00 0.00 55.95 56.37 2ctt s SER 78 Cb 0.00 0.34 -0.01 0.00 0.21 0.00 0.00 66.02 66.56 2ctt s SER 78 CO 0.00 -0.74 0.50 -0.63 0.41 0.00 0.00 173.24 172.78 2ctt s ILE 79 N -3.88 5.04 -0.70 1.44 1.09 0.11 -4.45 121.20 119.85 2ctt s ILE 79 Ca 0.07 0.37 -0.26 0.00 -1.10 0.00 0.00 60.65 59.73 2ctt s ILE 79 Cb 0.05 -3.93 0.04 0.00 -1.06 0.00 0.00 42.46 37.56 2ctt s ILE 79 CO -0.10 -0.17 1.16 -0.63 -0.10 0.00 0.00 174.94 175.11 2ctt s ILE 80 N 2.35 3.95 0.34 2.92 1.01 -1.26 -2.41 121.20 128.09 2ctt s ILE 80 Ca 0.18 0.17 0.09 0.00 0.00 0.00 0.00 60.65 61.09 2ctt s ILE 80 Cb -0.16 -4.83 0.32 0.00 0.01 0.00 0.00 42.46 37.81 2ctt s ILE 80 CO 0.13 -1.69 1.82 0.40 0.00 0.00 0.00 174.94 175.60 2ctt h ILE 81 N 6.02 0.76 -3.11 2.92 5.03 -1.96 -3.37 117.51 123.78 2ctt h ILE 81 Ca -0.28 -0.24 -0.44 0.00 -0.12 0.00 0.00 64.86 63.78 2ctt h ILE 81 Cb 1.06 -0.01 -0.41 0.00 -3.03 0.00 0.00 36.82 34.44 2ctt h ILE 81 CO 1.24 0.13 -0.75 -0.55 -0.68 0.00 0.00 178.15 177.54 2ctt s SER 82 N -5.58 2.07 0.65 1.72 0.15 -1.26 -5.13 113.70 106.32 2ctt s SER 82 Ca -0.10 -0.46 -0.15 0.00 0.70 0.00 0.00 55.95 55.94 2ctt s SER 82 Cb 0.23 -0.22 -0.01 0.00 -1.71 0.00 0.00 66.02 64.31 2ctt s SER 82 CO 0.80 -0.33 1.11 -2.16 1.20 0.00 0.00 173.24 173.86 2ctt s PRO 83 N 2.14 2.86 0.99 5.44 0.04 -1.26 -2.76 135.00 142.45 2ctt s PRO 83 Ca 0.03 1.41 -0.19 0.00 0.04 0.00 0.00 61.00 62.29 2ctt s PRO 83 Cb -0.15 -1.96 -0.00 0.00 0.04 0.00 0.00 34.50 32.43 2ctt s PRO 83 CO -0.08 -1.20 -0.50 0.00 0.04 0.00 0.00 177.00 175.26 2ctt n VAL 85 N -3.96 0.00 -0.07 0.00 0.24 -1.26 -3.80 118.33 109.48 2ctt n VAL 85 Ca 0.01 -0.46 -0.08 0.00 -2.04 0.00 0.00 64.34 61.77 2ctt n VAL 85 Cb 0.56 1.00 -0.09 0.00 -1.47 0.00 0.00 33.84 33.84 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 -1.04 0.86 0.25 3.34 0.24 -1.26 -4.65 118.33 116.07 2ctt n VAL 86 Ca 0.00 -0.44 0.03 0.00 -2.04 0.00 0.00 64.34 61.89 2ctt n VAL 86 Cb 0.03 -0.83 -0.01 0.00 -1.47 0.00 0.00 33.84 31.56 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 -0.49 -2.45 -1.74 0.00 5.12 -1.25 -0.68 116.66 115.18 2ctt n ARG 88 Ca 0.02 0.57 0.00 0.00 -1.93 0.00 0.00 57.85 56.51 2ctt n ARG 88 Cb 0.11 -5.18 0.00 0.00 -1.16 0.00 0.00 32.46 26.23 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 -0.85 0.84 0.09 -0.13 0.00 -1.26 -4.68 105.19 99.20 2ctt n GLY 89 Ca -0.13 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.43 1.46 0.00 4.61 0.00 0.15 -4.90 120.51 120.39 2ctt n ALA 90 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.52 2ctt n ALA 90 Cb 0.39 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 1.65 1.56 3.18 0.00 0.00 -1.26 -5.00 105.19 105.32 2ctt n GLY 91 Ca -0.23 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.49 0.34 0.14 1.61 1.11 -1.26 -2.69 119.66 118.42 2ctt s GLN 92 Ca 0.00 0.47 0.01 0.00 0.01 0.00 0.00 55.36 55.85 2ctt s GLN 92 Cb 0.00 0.12 -0.00 0.00 -1.01 0.00 0.00 33.01 32.12 2ctt s GLN 92 CO 0.00 -0.07 0.03 0.00 0.01 0.00 0.00 175.29 175.27 2ctt n ALA 93 N 3.20 0.17 -2.85 6.09 0.00 0.23 -4.71 120.51 122.64 2ctt n ALA 93 Ca -0.15 -0.67 -0.43 0.00 0.00 0.00 0.00 53.44 52.18 2ctt n ALA 93 Cb 0.57 0.43 -0.02 0.00 0.00 0.00 0.00 19.45 20.43 2ctt n ALA 93 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2ctt s LYS 94 N -2.51 3.68 0.04 0.00 1.02 -1.26 0.42 119.74 121.13 2ctt s LYS 94 Ca 0.05 -1.77 -0.03 0.00 0.02 0.00 0.00 55.97 54.23 2ctt s LYS 94 Cb 0.00 -5.04 -0.04 0.00 -0.52 0.00 0.00 37.83 32.22 2ctt s LYS 94 CO 0.03 -1.87 0.25 -0.65 -0.92 0.00 0.00 175.35 172.19 2ctt s GLN 95 N 3.00 3.51 -0.72 1.68 -1.52 -1.25 -4.93 119.66 119.43 2ctt s GLN 95 Ca 0.37 -0.25 -0.26 0.00 -1.95 0.00 0.00 55.36 53.27 2ctt s GLN 95 Cb -0.03 -3.03 -0.14 0.00 -0.22 0.00 0.00 33.01 29.58 2ctt s GLN 95 CO -0.07 0.61 2.48 1.17 -0.25 0.00 0.00 175.29 179.23 2ctt n LYS 96 N 0.64 0.59 -2.25 2.91 4.81 -1.26 -4.59 118.16 119.01 2ctt n LYS 96 Ca -0.08 -0.12 -0.41 0.00 -0.87 0.00 0.00 58.31 56.84 2ctt n LYS 96 Cb 0.52 -2.72 -0.03 0.00 0.02 0.00 0.00 35.03 32.82 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 8.49 3.14 0.04 1.64 2.36 -1.26 -4.88 119.74 129.27 2ctt s LYS 97 Ca 1.11 0.63 -0.26 0.00 -2.55 0.00 0.00 55.97 54.91 2ctt s LYS 97 Cb -0.54 -4.20 -0.17 0.00 -1.05 0.00 0.00 37.83 31.87 2ctt s LYS 97 CO 0.33 -2.12 1.47 0.07 1.55 0.00 0.00 175.35 176.64 2ctt h ARG 98 N 12.27 -0.25 -2.67 4.03 0.11 -1.91 -3.43 114.38 122.53 2ctt h ARG 98 Ca -0.28 0.02 -0.15 0.00 0.10 0.00 0.00 59.98 59.67 2ctt h ARG 98 Cb 1.12 0.06 -0.29 0.00 1.11 0.00 0.00 29.97 31.96 2ctt h ARG 98 CO 1.17 -0.01 -0.43 -1.54 0.10 0.00 0.00 179.97 179.26 2ctt s SER 99 N -5.14 -0.05 -0.49 0.08 1.04 -1.26 -4.62 113.70 103.26 2ctt s SER 99 Ca -0.15 0.82 -0.46 0.00 0.48 0.00 0.00 55.95 56.65 2ctt s SER 99 Cb 0.04 1.03 -0.19 0.00 0.10 0.00 0.00 66.02 66.99 2ctt s SER 99 CO 0.62 -0.23 1.63 0.61 0.98 0.00 0.00 173.24 176.85 2ctt n GLY 100 N 5.24 0.15 0.07 7.32 0.00 -1.26 -4.85 105.19 111.86 2ctt n GLY 100 Ca -0.09 1.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.80 2ctt n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctt h PRO 101 N 5.34 0.09 0.00 1.61 0.13 -2.00 -3.49 132.00 133.68 2ctt h PRO 101 Ca -0.39 -0.05 0.11 0.00 -0.87 0.00 0.00 66.00 64.81 2ctt h PRO 101 Cb 1.35 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.46 2ctt h PRO 101 CO 0.97 0.55 0.39 -1.13 -0.23 0.00 0.00 178.00 178.55 2ctt n SER 102 N -4.78 -0.99 -4.97 1.44 3.41 -1.26 -5.19 113.62 101.28 2ctt n SER 102 Ca -0.08 -1.48 -0.24 0.00 -0.26 0.00 0.00 58.87 56.81 2ctt n SER 102 Cb 0.28 1.60 0.03 0.00 -0.26 0.00 0.00 64.21 65.86 2ctt n SER 102 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2ctt s SER 103 N -2.50 4.80 0.00 4.04 1.04 -1.26 -5.20 113.70 114.61 2ctt s SER 103 Ca 0.14 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.45 2ctt s SER 103 Cb -0.01 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.61 2ctt s SER 103 CO 0.03 -1.30 0.00 0.61 0.98 0.00 0.00 173.24 173.56