#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 -0.06 0.24 1.61 1.04 -1.26 -5.19 113.70 110.08 2ctt s SER 2 Ca 0.00 -0.94 -0.22 0.00 0.48 0.00 0.00 55.95 55.27 2ctt s SER 2 Cb 0.00 0.78 0.05 0.00 0.10 0.00 0.00 66.02 66.95 2ctt s SER 2 CO 0.00 -1.51 0.87 -0.44 0.98 0.00 0.00 173.24 173.14 2ctt s SER 3 N -3.02 -0.14 0.31 7.02 0.01 -1.26 -5.19 113.70 111.43 2ctt s SER 3 Ca 0.15 -0.65 -0.04 0.00 1.31 0.00 0.00 55.95 56.71 2ctt s SER 3 Cb -0.05 0.63 0.02 0.00 0.21 0.00 0.00 66.02 66.83 2ctt s SER 3 CO 0.10 -1.20 0.48 0.61 0.41 0.00 0.00 173.24 173.64 2ctt n GLY 4 N -0.52 1.99 3.64 3.44 0.00 -1.26 -5.19 105.19 107.30 2ctt n GLY 4 Ca -0.05 -1.49 0.01 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.82 -0.07 0.35 1.61 1.04 -1.26 -5.19 113.70 107.36 2ctt s SER 5 Ca 0.22 -0.17 -0.11 0.00 0.48 0.00 0.00 55.95 56.37 2ctt s SER 5 Cb -0.02 0.20 0.03 0.00 0.10 0.00 0.00 66.02 66.33 2ctt s SER 5 CO 0.16 -0.36 0.65 -0.94 0.98 0.00 0.00 173.24 173.72 2ctt s SER 6 N -3.00 0.30 0.18 7.02 1.04 -1.26 -5.19 113.70 112.79 2ctt s SER 6 Ca 0.14 -1.21 -0.08 0.00 0.48 0.00 0.00 55.95 55.29 2ctt s SER 6 Cb 0.04 0.75 0.03 0.00 0.10 0.00 0.00 66.02 66.95 2ctt s SER 6 CO -0.03 -1.48 0.42 0.61 0.98 0.00 0.00 173.24 173.74 2ctt n GLY 7 N -0.52 1.39 3.39 7.32 0.00 -1.26 -5.19 105.19 110.32 2ctt n GLY 7 Ca -0.04 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.04 1.12 0.29 1.61 -2.45 -1.26 -5.18 119.30 111.39 2ctt s MET 8 Ca 0.09 -0.38 0.09 0.00 -1.25 0.00 0.00 55.69 54.24 2ctt s MET 8 Cb -0.02 0.51 -0.04 0.00 1.25 0.00 0.00 34.83 36.52 2ctt s MET 8 CO 0.05 -0.44 0.00 -1.21 1.05 0.00 0.00 175.02 174.48 2ctt s GLU 9 N -3.07 2.22 0.30 4.11 0.41 -1.26 -5.14 118.70 116.27 2ctt s GLU 9 Ca -0.02 -1.51 -0.19 0.00 -0.41 0.00 0.00 54.97 52.84 2ctt s GLU 9 Cb -0.00 -2.10 0.03 0.00 -1.78 0.00 0.00 34.13 30.28 2ctt s GLU 9 CO -0.07 0.30 0.72 -0.48 -0.49 0.00 0.00 175.26 175.24 2ctt s LEU 10 N -3.69 -0.15 0.48 1.80 -0.00 -1.26 -5.19 118.68 110.66 2ctt s LEU 10 Ca 0.33 -0.76 0.04 0.00 -0.00 0.00 0.00 54.13 53.73 2ctt s LEU 10 Cb -0.05 2.70 -0.03 0.00 -0.00 0.00 0.00 46.19 48.81 2ctt s LEU 10 CO 0.20 -1.42 0.07 0.42 -0.00 0.00 0.00 176.35 175.62 2ctt s THR 11 N -3.53 1.58 -0.29 5.48 -4.23 -1.26 -5.16 115.64 108.23 2ctt s THR 11 Ca 0.13 -1.91 -0.25 0.00 -1.18 0.00 0.00 61.69 58.48 2ctt s THR 11 Cb -0.05 -2.48 0.15 0.00 1.34 0.00 0.00 72.50 71.45 2ctt s THR 11 CO 0.08 0.00 1.18 0.72 -0.54 0.00 0.00 174.62 176.07 2ctt s PHE 12 N -2.79 -0.32 -0.11 3.99 -0.71 -1.26 -5.19 117.98 111.59 2ctt s PHE 12 Ca 0.21 0.78 -0.33 0.00 -1.04 0.00 0.00 56.93 56.55 2ctt s PHE 12 Cb 0.04 0.41 0.13 0.00 -1.21 0.00 0.00 43.02 42.38 2ctt s PHE 12 CO 0.11 -0.15 1.17 1.21 -1.34 0.00 0.00 175.22 176.22 2ctt s ASN 13 N 0.15 -0.15 0.95 1.98 3.84 -1.26 -5.16 114.94 115.28 2ctt s ASN 13 Ca 0.05 -0.05 -0.11 0.00 0.21 0.00 0.00 52.86 52.96 2ctt s ASN 13 Cb -0.05 0.20 0.10 0.00 -0.55 0.00 0.00 41.25 40.95 2ctt s ASN 13 CO -0.10 -0.33 0.79 1.67 -2.79 0.00 0.00 177.10 176.34 2ctt n GLN 14 N -0.21 -0.48 -3.30 0.43 7.27 -1.26 -4.95 117.38 114.89 2ctt n GLN 14 Ca -0.03 -0.09 -0.42 0.00 0.07 0.00 0.00 57.00 56.53 2ctt n GLN 14 Cb 0.60 -2.13 -0.08 0.00 2.41 0.00 0.00 30.24 31.04 2ctt n GLN 14 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2ctt s ALA 15 N -2.52 3.43 -0.01 1.69 0.00 -1.26 -5.06 121.76 118.03 2ctt s ALA 15 Ca 0.62 -1.37 -0.02 0.00 0.00 0.00 0.00 51.96 51.19 2ctt s ALA 15 Cb -0.22 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 2ctt s ALA 15 CO 0.63 -1.48 0.12 0.00 0.00 0.00 0.00 175.76 175.02 2ctt s ALA 16 N 2.22 3.74 -0.33 0.00 0.00 -1.26 -5.02 121.76 121.10 2ctt s ALA 16 Ca 0.14 -0.82 0.06 0.00 0.00 0.00 0.00 51.96 51.34 2ctt s ALA 16 Cb -0.16 -1.71 0.46 0.00 0.00 0.00 0.00 23.12 21.70 2ctt s ALA 16 CO 0.14 0.71 1.31 0.36 0.00 0.00 0.00 175.76 178.28 2ctt n LYS 17 N 1.14 3.32 -3.20 0.00 0.00 -1.26 -5.03 118.16 113.13 2ctt n LYS 17 Ca -0.13 -3.97 -0.11 0.00 -0.00 0.00 0.00 58.31 54.11 2ctt n LYS 17 Cb 0.53 -2.23 -0.04 0.00 -0.00 0.00 0.00 35.03 33.29 2ctt n LYS 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ctt n GLY 18 N -0.78 3.32 3.82 2.58 0.00 -1.26 -5.15 105.19 107.72 2ctt n GLY 18 Ca 0.45 -1.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.34 2ctt n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ctt s VAL 19 N -2.74 5.33 0.23 1.61 1.01 -1.26 -5.04 120.40 119.53 2ctt s VAL 19 Ca 0.22 0.45 -0.31 0.00 0.00 0.00 0.00 61.98 62.33 2ctt s VAL 19 Cb 0.01 -3.54 -0.14 0.00 0.00 0.00 0.00 36.38 32.70 2ctt s VAL 19 CO 0.15 0.54 1.20 -3.20 0.00 0.00 0.00 175.10 173.79 2ctt n ASN 20 N 2.44 1.79 -4.87 3.32 5.15 -1.26 -4.96 115.26 116.87 2ctt n ASN 20 Ca -0.16 1.15 -0.36 0.00 -0.60 0.00 0.00 54.58 54.61 2ctt n ASN 20 Cb 0.53 -1.30 -0.06 0.00 -0.53 0.00 0.00 39.78 38.42 2ctt n ASN 20 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2ctt s LYS 21 N -0.74 3.63 -0.30 1.20 3.01 -1.26 -5.07 119.74 120.21 2ctt s LYS 21 Ca 0.67 0.05 -0.17 0.00 -1.01 0.00 0.00 55.97 55.52 2ctt s LYS 21 Cb -0.75 -3.15 0.18 0.00 -1.01 0.00 0.00 37.83 33.10 2ctt s LYS 21 CO 0.54 0.70 1.13 -2.00 0.51 0.00 0.00 175.35 176.23 2ctt s GLU 22 N -1.32 0.17 -0.51 1.68 2.12 -1.26 -5.05 118.70 114.53 2ctt s GLU 22 Ca 0.22 0.41 -0.04 0.00 0.36 0.00 0.00 54.97 55.92 2ctt s GLU 22 Cb -0.14 0.24 0.04 0.00 0.26 0.00 0.00 34.13 34.54 2ctt s GLU 22 CO 0.11 -0.07 2.79 1.19 -0.54 0.00 0.00 175.26 178.74 2ctt n PHE 23 N 4.85 1.59 -3.76 5.30 3.72 -1.26 -4.84 117.46 123.06 2ctt n PHE 23 Ca -0.08 -2.00 -0.23 0.00 -0.05 0.00 0.00 57.45 55.10 2ctt n PHE 23 Cb 0.54 -1.44 -0.18 0.00 -0.94 0.00 0.00 39.48 37.46 2ctt n PHE 23 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2ctt s THR 24 N -1.91 0.33 0.13 4.37 -4.23 -1.26 -5.11 115.64 107.96 2ctt s THR 24 Ca 0.59 0.15 -0.20 0.00 -1.18 0.00 0.00 61.69 61.05 2ctt s THR 24 Cb 0.36 -0.50 -0.12 0.00 1.34 0.00 0.00 72.50 73.58 2ctt s THR 24 CO -0.20 0.25 0.38 0.52 -0.54 0.00 0.00 174.62 175.03 2ctt n VAL 25 N 5.16 1.30 -4.06 2.29 0.31 -1.26 -4.95 118.33 117.12 2ctt n VAL 25 Ca -0.07 -0.32 -0.22 0.00 -0.01 0.00 0.00 64.34 63.72 2ctt n VAL 25 Cb 0.50 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.38 2ctt n VAL 25 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2ctt s ASN 26 N -0.65 5.10 -0.15 4.52 4.22 -1.26 -5.08 114.94 121.64 2ctt s ASN 26 Ca 0.45 -0.50 -0.29 0.00 -2.14 0.00 0.00 52.86 50.37 2ctt s ASN 26 Cb -0.65 -1.04 -0.01 0.00 1.28 0.00 0.00 41.25 40.83 2ctt s ASN 26 CO 0.38 -0.17 1.15 -0.63 -2.04 0.00 0.00 177.10 175.79 2ctt s ILE 27 N -2.28 4.47 -0.18 0.54 -1.09 -1.26 -5.01 121.20 116.39 2ctt s ILE 27 Ca 0.36 1.77 -0.04 0.00 -2.23 0.00 0.00 60.65 60.51 2ctt s ILE 27 Cb -0.06 -4.14 0.08 0.00 -1.58 0.00 0.00 42.46 36.76 2ctt s ILE 27 CO 0.24 -0.09 0.19 -0.04 -1.23 0.00 0.00 174.94 174.01 2ctt s MET 28 N 2.86 0.15 0.36 2.79 -1.94 -1.26 -4.31 119.30 117.94 2ctt s MET 28 Ca 0.51 0.24 0.03 0.00 -1.71 0.00 0.00 55.69 54.76 2ctt s MET 28 Cb -0.20 -1.12 -0.01 0.00 2.01 0.00 0.00 34.83 35.51 2ctt s MET 28 CO 0.15 -0.59 0.11 -0.25 -0.01 0.00 0.00 175.02 174.43 2ctt n ASP 29 N 5.32 1.38 -4.71 3.03 9.92 -0.89 -4.95 116.55 125.65 2ctt n ASP 29 Ca -0.06 -2.86 -0.42 0.00 -0.53 0.00 0.00 54.79 50.92 2ctt n ASP 29 Cb 0.49 0.83 -0.03 0.00 -0.64 0.00 0.00 41.12 41.78 2ctt n ASP 29 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2ctt s THR 30 N -2.83 3.33 0.99 -3.53 2.01 -1.26 -0.22 115.64 114.12 2ctt s THR 30 Ca 0.16 0.90 -0.17 0.00 0.31 0.00 0.00 61.69 62.89 2ctt s THR 30 Cb 0.01 -3.58 -0.08 0.00 0.01 0.00 0.00 72.50 68.86 2ctt s THR 30 CO 0.11 0.05 -0.47 0.00 -0.69 0.00 0.00 174.62 173.63 2ctt n GLU 32 N 0.85 2.49 -0.07 0.00 1.02 -1.26 -3.56 120.64 120.10 2ctt n GLU 32 Ca 0.01 0.01 -0.13 0.00 -0.02 0.00 0.00 57.16 57.03 2ctt n GLU 32 Cb 0.58 -1.13 -0.06 0.00 -0.02 0.00 0.00 31.44 30.81 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 0.49 0.00 3.49 2.43 -1.96 -3.28 114.38 115.55 2ctt h ARG 33 Ca -0.14 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 2ctt h ARG 33 Cb 1.30 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 2ctt h ARG 33 CO 0.00 0.80 -1.11 0.00 -1.51 0.00 0.00 179.97 178.15 2ctt n ASN 35 N -1.61 -5.85 -1.44 0.00 4.13 -1.23 -2.40 115.26 106.86 2ctt n ASN 35 Ca 0.02 -0.47 -0.11 0.00 1.68 0.00 0.00 54.58 55.70 2ctt n ASN 35 Cb 0.34 -4.46 0.01 0.00 -1.54 0.00 0.00 39.78 34.13 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 -1.83 0.04 0.26 7.41 0.00 -1.24 -4.88 105.19 104.95 2ctt n GLY 36 Ca 0.01 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.21 0.40 -0.08 1.61 4.76 -1.01 -4.85 118.16 116.78 2ctt n LYS 37 Ca -0.08 0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 2ctt n LYS 37 Cb 0.57 -1.24 0.00 0.00 -1.84 0.00 0.00 35.03 32.52 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 2.31 1.77 3.29 0.72 0.00 -1.26 -4.92 105.19 107.10 2ctt n GLY 38 Ca -0.32 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.04 -0.29 0.36 1.61 4.22 -1.26 -3.34 114.94 114.19 2ctt s ASN 39 Ca 0.00 0.29 -0.28 0.00 -2.14 0.00 0.00 52.86 50.73 2ctt s ASN 39 Cb 0.00 0.43 -0.10 0.00 1.28 0.00 0.00 41.25 42.85 2ctt s ASN 39 CO 0.00 -0.42 1.41 -1.61 -2.04 0.00 0.00 177.10 174.44 2ctt s GLU 40 N -1.05 4.18 0.00 3.55 2.02 -1.14 -4.36 118.70 121.91 2ctt s GLU 40 Ca -0.11 2.41 0.03 0.00 0.02 0.00 0.00 54.97 57.33 2ctt s GLU 40 Cb -0.04 -2.98 0.20 0.00 0.10 0.00 0.00 34.13 31.40 2ctt s GLU 40 CO 0.04 -0.41 0.67 -0.35 0.02 0.00 0.00 175.26 175.24 2ctt n PRO 41 N 0.54 0.49 -0.86 0.39 -0.04 -1.26 -2.35 135.00 131.91 2ctt n PRO 41 Ca 0.01 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.50 2ctt n PRO 41 Cb 0.40 -1.11 0.05 0.00 -0.04 0.00 0.00 33.50 32.81 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 -0.01 1.76 3.47 0.55 0.00 -1.26 -5.09 105.19 104.61 2ctt n GLY 42 Ca 0.03 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.72 1.64 0.58 2.61 -4.23 -0.99 -5.16 115.64 109.36 2ctt s THR 43 Ca 0.22 -2.09 0.10 0.00 -1.18 0.00 0.00 61.69 58.74 2ctt s THR 43 Cb 0.23 -2.62 0.09 0.00 1.34 0.00 0.00 72.50 71.54 2ctt s THR 43 CO -0.07 -0.18 0.80 -0.54 -0.54 0.00 0.00 174.62 174.09 2ctt s LYS 44 N -3.75 2.29 -0.01 3.99 1.02 -1.26 -4.93 119.74 117.08 2ctt s LYS 44 Ca 0.32 -1.64 -0.07 0.00 0.02 0.00 0.00 55.97 54.60 2ctt s LYS 44 Cb 0.06 -2.64 0.01 0.00 -0.52 0.00 0.00 37.83 34.73 2ctt s LYS 44 CO 0.14 -0.88 0.15 0.08 -0.92 0.00 0.00 175.35 173.92 2ctt s VAL 45 N -2.68 0.06 -0.10 3.17 1.01 -1.26 -4.09 120.40 116.52 2ctt s VAL 45 Ca 0.62 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 62.07 2ctt s VAL 45 Cb -0.06 -0.40 -0.02 0.00 0.00 0.00 0.00 36.38 35.90 2ctt s VAL 45 CO 0.39 -0.30 -0.12 -1.10 0.00 0.00 0.00 175.10 173.98 2ctt s GLN 46 N -1.07 3.05 0.04 2.72 -0.21 -0.92 -4.97 119.66 118.30 2ctt s GLN 46 Ca -0.12 -0.65 -0.30 0.00 0.02 0.00 0.00 55.36 54.31 2ctt s GLN 46 Cb -0.06 -2.58 -0.08 0.00 1.00 0.00 0.00 33.01 31.30 2ctt s GLN 46 CO 0.01 0.41 1.69 -1.58 -2.12 0.00 0.00 175.29 173.70 2ctt s HIS 47 N -0.14 2.18 0.12 0.91 5.65 -1.26 -0.08 115.29 122.67 2ctt s HIS 47 Ca -0.00 0.19 -0.29 0.00 0.25 0.00 0.00 55.06 55.21 2ctt s HIS 47 Cb -0.13 -3.99 -0.06 0.00 -1.18 0.00 0.00 32.58 27.21 2ctt s HIS 47 CO 0.03 -4.08 0.92 0.00 -0.65 0.00 0.00 174.74 170.96 2ctt n HIS 49 N 2.58 0.90 -0.39 0.00 1.44 -1.26 -2.40 115.22 116.09 2ctt n HIS 49 Ca 0.01 0.23 -0.10 0.00 -2.01 0.00 0.00 57.72 55.84 2ctt n HIS 49 Cb 0.49 -1.13 -0.09 0.00 0.12 0.00 0.00 29.99 29.37 2ctt n HIS 49 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 2ctt n TYR 50 N -3.27 -0.41 -0.06 -1.40 4.02 -1.26 -2.84 117.16 111.93 2ctt n TYR 50 Ca -0.30 1.18 -0.19 0.00 -0.01 0.00 0.00 57.90 58.58 2ctt n TYR 50 Cb 1.05 -0.57 -0.13 0.00 -0.02 0.00 0.00 39.34 39.66 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 2.08 0.75 0.40 0.00 0.00 -1.01 -4.23 105.19 103.18 2ctt n GLY 52 Ca -0.37 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.31 1.43 0.00 -0.02 0.00 -1.21 -4.99 105.19 98.09 2ctt n GLY 53 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.40 3.17 -0.03 1.61 3.41 -1.26 -4.85 113.62 116.08 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 0.11 0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 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 1.96 0.63 2.76 5.00 0.00 -1.26 -4.85 105.19 109.43 2ctt n GLY 55 Ca 0.00 -0.75 -0.16 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.62 -0.03 0.05 1.61 -2.45 -1.26 -3.90 119.30 109.69 2ctt s MET 56 Ca 0.00 0.29 0.00 0.00 -1.25 0.00 0.00 55.69 54.73 2ctt s MET 56 Cb 0.00 -0.32 -0.04 0.00 1.25 0.00 0.00 34.83 35.72 2ctt s MET 56 CO 0.00 -0.23 0.18 -2.00 1.05 0.00 0.00 175.02 174.02 2ctt s GLU 57 N 1.50 3.32 -0.21 4.11 2.12 -0.44 -4.14 118.70 124.96 2ctt s GLU 57 Ca -0.04 -0.48 -0.03 0.00 0.36 0.00 0.00 54.97 54.78 2ctt s GLU 57 Cb -0.12 -2.98 -0.01 0.00 0.26 0.00 0.00 34.13 31.28 2ctt s GLU 57 CO -0.03 0.61 -0.05 0.99 -0.54 0.00 0.00 175.26 176.23 2ctt s THR 58 N -1.46 3.29 -0.63 -1.70 2.01 -1.26 -2.57 115.64 113.33 2ctt s THR 58 Ca 0.33 -0.52 -0.14 0.00 0.31 0.00 0.00 61.69 61.67 2ctt s THR 58 Cb -0.13 -2.49 0.16 0.00 0.01 0.00 0.00 72.50 70.05 2ctt s THR 58 CO 0.25 0.43 0.56 -0.63 -0.69 0.00 0.00 174.62 174.55 2ctt s ILE 59 N 1.43 5.11 -0.75 1.82 1.09 0.14 -4.97 121.20 125.06 2ctt s ILE 59 Ca 0.05 -1.94 -0.27 0.00 -1.10 0.00 0.00 60.65 57.40 2ctt s ILE 59 Cb -0.14 -4.25 0.03 0.00 -1.06 0.00 0.00 42.46 37.04 2ctt s ILE 59 CO -0.04 -0.91 1.34 0.20 -0.10 0.00 0.00 174.94 175.43 2ctt s ASN 60 N 2.84 6.12 -0.24 3.58 -0.87 -1.26 -0.36 114.94 124.73 2ctt s ASN 60 Ca 0.09 -0.47 0.01 0.00 -1.57 0.00 0.00 52.86 50.93 2ctt s ASN 60 Cb -0.22 -2.56 0.06 0.00 -0.02 0.00 0.00 41.25 38.51 2ctt s ASN 60 CO -0.02 -1.86 -0.06 0.28 -2.57 0.00 0.00 177.10 172.87 2ctt s THR 61 N 5.94 1.67 0.00 1.60 -1.32 -0.87 -5.02 115.64 117.65 2ctt s THR 61 Ca 0.38 -1.35 0.00 0.00 -1.21 0.00 0.00 61.69 59.52 2ctt s THR 61 Cb -0.08 -1.92 0.00 0.00 -1.51 0.00 0.00 72.50 68.99 2ctt s THR 61 CO 0.14 -0.11 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 2ctt n GLY 62 N 4.61 0.69 0.00 6.08 0.00 -1.26 -2.73 105.19 112.58 2ctt n GLY 62 Ca -0.12 -0.73 0.07 0.00 0.00 0.00 0.00 46.02 45.24 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 0.04 -4.61 1.61 -0.04 -1.26 -4.76 135.00 125.99 2ctt n PRO 63 Ca 0.00 0.23 -0.29 0.00 -0.04 0.00 0.00 63.50 63.40 2ctt n PRO 63 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 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 -2.91 2.32 -0.03 0.54 -0.12 -1.10 -5.16 117.98 111.52 2ctt s PHE 64 Ca 0.08 -0.75 -0.02 0.00 -0.05 0.00 0.00 56.93 56.20 2ctt s PHE 64 Cb 0.09 -1.75 0.01 0.00 -0.63 0.00 0.00 43.02 40.75 2ctt s PHE 64 CO 0.25 0.35 0.06 0.54 -0.05 0.00 0.00 175.22 176.37 2ctt s VAL 65 N -2.75 -0.02 0.00 -2.49 0.11 -1.26 -2.05 120.40 111.94 2ctt s VAL 65 Ca 0.27 0.06 -0.01 0.00 -2.93 0.00 0.00 61.98 59.37 2ctt s VAL 65 Cb 0.07 -0.11 -0.04 0.00 -1.53 0.00 0.00 36.38 34.77 2ctt s VAL 65 CO 0.14 0.03 0.12 -0.04 -3.33 0.00 0.00 175.10 172.01 2ctt s MET 66 N 0.37 3.18 -0.25 1.54 1.00 0.51 -4.92 119.30 120.73 2ctt s MET 66 Ca -0.03 -0.45 -0.02 0.00 0.00 0.00 0.00 55.69 55.19 2ctt s MET 66 Cb -0.04 -2.93 0.02 0.00 0.00 0.00 0.00 34.83 31.88 2ctt s MET 66 CO -0.01 0.65 -0.04 1.03 0.00 0.00 0.00 175.02 176.64 2ctt s ARG 67 N -1.86 2.88 0.04 2.03 3.00 -1.26 0.28 118.95 124.06 2ctt s ARG 67 Ca 0.25 -0.95 0.03 0.00 0.00 0.00 0.00 55.73 55.05 2ctt s ARG 67 Cb -0.12 -3.03 -0.02 0.00 0.00 0.00 0.00 34.95 31.78 2ctt s ARG 67 CO 0.16 -0.40 -0.08 0.45 0.00 0.00 0.00 175.30 175.43 2ctt s SER 68 N 1.35 0.95 0.11 0.23 0.15 -1.06 -5.00 113.70 110.42 2ctt s SER 68 Ca 0.01 -0.48 -0.36 0.00 0.70 0.00 0.00 55.95 55.82 2ctt s SER 68 Cb -0.17 0.00 -0.16 0.00 -1.71 0.00 0.00 66.02 63.98 2ctt s SER 68 CO -0.04 -0.13 1.34 0.41 1.20 0.00 0.00 173.24 176.02 2ctt n THR 69 N 1.72 0.12 -1.37 6.45 -1.04 -1.26 -1.32 114.28 117.57 2ctt n THR 69 Ca -0.21 -0.03 -0.40 0.00 -2.04 0.00 0.00 64.05 61.38 2ctt n THR 69 Cb 0.55 -0.89 0.02 0.00 -1.82 0.00 0.00 70.33 68.19 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 1.49 0.25 0.00 1.74 -1.26 -3.24 116.66 116.39 2ctt n ARG 71 Ca 0.10 0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 57.05 2ctt n ARG 71 Cb 0.45 -1.37 -0.08 0.00 -1.02 0.00 0.00 32.46 30.44 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 -0.61 0.13 5.56 2.47 -2.00 -3.35 114.38 116.58 2ctt h ARG 72 Ca -0.39 0.04 -0.36 0.00 -1.26 0.00 0.00 59.98 58.01 2ctt h ARG 72 Cb 1.84 0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 30.29 2ctt h ARG 72 CO 0.01 -0.31 -1.92 0.00 0.56 0.00 0.00 179.97 178.30 2ctt n GLY 74 N 1.94 1.64 1.58 0.00 0.00 -1.20 -4.47 105.19 104.68 2ctt n GLY 74 Ca -0.29 -0.14 -0.02 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.88 0.74 0.00 -0.02 0.00 -1.24 -4.88 105.19 98.91 2ctt n GLY 75 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.96 0.79 0.00 1.61 3.00 -1.26 -4.75 116.66 115.10 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 0.51 -0.87 0.00 0.00 0.00 0.00 0.00 32.46 32.10 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 2.80 2.32 3.29 5.14 0.00 -1.26 -4.69 105.19 112.79 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 -1.78 0.06 -0.30 1.61 0.01 -1.26 -2.13 113.70 109.92 2ctt s SER 78 Ca 0.00 -0.78 -0.16 0.00 1.31 0.00 0.00 55.95 56.32 2ctt s SER 78 Cb 0.00 0.40 -0.02 0.00 0.21 0.00 0.00 66.02 66.61 2ctt s SER 78 CO 0.00 -0.83 0.43 -0.63 0.41 0.00 0.00 173.24 172.62 2ctt s ILE 79 N -3.92 5.11 -0.64 1.44 1.09 0.89 -4.57 121.20 120.60 2ctt s ILE 79 Ca 0.12 0.49 -0.24 0.00 -1.10 0.00 0.00 60.65 59.93 2ctt s ILE 79 Cb 0.04 -3.81 0.05 0.00 -1.06 0.00 0.00 42.46 37.68 2ctt s ILE 79 CO -0.04 0.01 1.02 -0.63 -0.10 0.00 0.00 174.94 175.20 2ctt s ILE 80 N 2.19 4.22 0.33 2.92 1.01 -1.26 -2.18 121.20 128.44 2ctt s ILE 80 Ca 0.17 0.03 0.07 0.00 0.00 0.00 0.00 60.65 60.91 2ctt s ILE 80 Cb -0.16 -4.68 0.31 0.00 0.01 0.00 0.00 42.46 37.94 2ctt s ILE 80 CO 0.11 -1.42 1.85 0.40 0.00 0.00 0.00 174.94 175.89 2ctt h ILE 81 N 6.00 0.85 -3.15 2.92 5.03 -1.97 -3.36 117.51 123.83 2ctt h ILE 81 Ca -0.28 -0.27 -0.53 0.00 -0.12 0.00 0.00 64.86 63.67 2ctt h ILE 81 Cb 1.07 -0.00 -0.40 0.00 -3.03 0.00 0.00 36.82 34.45 2ctt h ILE 81 CO 1.17 0.14 -0.76 -0.44 -0.68 0.00 0.00 178.15 177.58 2ctt s SER 82 N -5.73 3.22 0.65 1.72 0.01 -1.26 -5.12 113.70 107.20 2ctt s SER 82 Ca -0.11 -1.06 -0.15 0.00 1.31 0.00 0.00 55.95 55.94 2ctt s SER 82 Cb 0.22 -0.59 -0.00 0.00 0.21 0.00 0.00 66.02 65.86 2ctt s SER 82 CO 0.80 -0.36 1.11 -2.16 0.41 0.00 0.00 173.24 173.04 2ctt s PRO 83 N 1.86 2.85 0.98 12.44 0.04 -1.26 -2.87 135.00 149.04 2ctt s PRO 83 Ca 0.03 1.40 -0.15 0.00 0.04 0.00 0.00 61.00 62.33 2ctt s PRO 83 Cb -0.17 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 2ctt s PRO 83 CO -0.16 -1.22 -0.04 0.00 0.04 0.00 0.00 177.00 175.62 2ctt n VAL 85 N -3.40 0.00 -0.11 0.00 0.24 -1.26 -3.53 118.33 110.26 2ctt n VAL 85 Ca 0.03 -0.35 -0.22 0.00 -2.04 0.00 0.00 64.34 61.77 2ctt n VAL 85 Cb 0.56 1.10 -0.07 0.00 -1.47 0.00 0.00 33.84 33.95 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 -0.51 1.38 0.96 3.34 0.31 -1.26 -4.65 118.33 117.90 2ctt n VAL 86 Ca 0.04 -0.22 0.10 0.00 -0.01 0.00 0.00 64.34 64.25 2ctt n VAL 86 Cb 0.21 -1.94 -0.08 0.00 -0.91 0.00 0.00 33.84 31.13 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 -0.96 -4.97 -2.86 0.00 5.12 -1.23 -1.37 116.66 110.39 2ctt n ARG 88 Ca 0.06 0.55 -0.09 0.00 -1.93 0.00 0.00 57.85 56.44 2ctt n ARG 88 Cb 0.37 -5.36 0.03 0.00 -1.16 0.00 0.00 32.46 26.34 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 -1.64 0.36 0.10 -0.13 0.00 -1.26 -4.80 105.19 97.81 2ctt n GLY 89 Ca 0.01 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.29 1.53 0.00 4.61 0.00 -0.47 -4.92 120.51 117.97 2ctt n ALA 90 Ca -0.00 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.24 2ctt n ALA 90 Cb 0.53 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.85 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 1.93 0.99 3.13 0.00 0.00 -1.26 -5.04 105.19 104.94 2ctt n GLY 91 Ca -0.32 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.94 0.64 0.23 1.61 1.11 -1.26 -3.13 119.66 117.91 2ctt s GLN 92 Ca 0.00 -0.89 -0.15 0.00 0.01 0.00 0.00 55.36 54.33 2ctt s GLN 92 Cb 0.00 0.25 0.01 0.00 -1.01 0.00 0.00 33.01 32.25 2ctt s GLN 92 CO 0.00 -0.16 0.50 0.00 0.01 0.00 0.00 175.29 175.64 2ctt s ALA 93 N -3.12 -0.51 -0.10 6.09 0.00 0.69 -4.58 121.76 120.23 2ctt s ALA 93 Ca -0.01 -0.65 -0.29 0.00 0.00 0.00 0.00 51.96 51.01 2ctt s ALA 93 Cb 0.02 0.97 -0.05 0.00 0.00 0.00 0.00 23.12 24.06 2ctt s ALA 93 CO -0.07 -0.85 1.65 0.15 0.00 0.00 0.00 175.76 176.64 2ctt s LYS 94 N -3.97 4.06 -0.38 0.00 1.02 -1.26 -2.09 119.74 117.12 2ctt s LYS 94 Ca 0.17 2.05 -0.08 0.00 0.02 0.00 0.00 55.97 58.13 2ctt s LYS 94 Cb -0.01 -4.00 0.06 0.00 -0.52 0.00 0.00 37.83 33.36 2ctt s LYS 94 CO 0.05 -0.98 0.19 -0.65 -0.92 0.00 0.00 175.35 173.04 2ctt s GLN 95 N 4.24 2.58 -1.14 1.68 1.11 -1.26 -4.61 119.66 122.25 2ctt s GLN 95 Ca 0.73 -1.35 -0.01 0.00 0.01 0.00 0.00 55.36 54.74 2ctt s GLN 95 Cb -0.31 -3.64 -0.01 0.00 -1.01 0.00 0.00 33.01 28.04 2ctt s GLN 95 CO 0.29 -0.83 0.96 1.63 0.01 0.00 0.00 175.29 177.35 2ctt n LYS 96 N 4.86 -5.78 -3.35 2.91 4.76 -1.26 -4.89 118.16 115.41 2ctt n LYS 96 Ca -0.10 0.83 -0.38 0.00 -2.87 0.00 0.00 58.31 55.78 2ctt n LYS 96 Cb 0.44 -5.77 -0.06 0.00 -1.84 0.00 0.00 35.03 27.80 2ctt n LYS 96 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2ctt s LYS 97 N -5.17 4.18 -0.49 1.97 2.47 -1.26 -5.01 119.74 116.42 2ctt s LYS 97 Ca 0.07 0.54 0.08 0.00 -1.56 0.00 0.00 55.97 55.10 2ctt s LYS 97 Cb -0.01 -3.31 0.34 0.00 -1.46 0.00 0.00 37.83 33.39 2ctt s LYS 97 CO 0.71 0.46 0.85 -2.13 0.16 0.00 0.00 175.35 175.40 2ctt n ARG 98 N 2.54 2.29 -0.01 4.03 0.00 -1.26 -4.92 116.66 119.33 2ctt n ARG 98 Ca -0.10 -4.25 -0.00 0.00 -0.00 0.00 0.00 57.85 53.50 2ctt n ARG 98 Cb 0.52 -2.02 -0.00 0.00 0.00 0.00 0.00 32.46 30.96 2ctt n ARG 98 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2ctt h SER 99 N 3.02 0.00 -1.90 6.15 0.87 -2.03 -3.47 113.55 116.20 2ctt h SER 99 Ca 0.12 0.00 -0.64 0.00 -1.23 0.00 0.00 61.79 60.04 2ctt h SER 99 Cb 0.70 0.00 0.10 0.00 -0.44 0.00 0.00 62.40 62.76 2ctt h SER 99 CO 0.69 0.11 -0.07 0.61 -0.53 0.00 0.00 176.83 177.64 2ctt n GLY 100 N 1.87 -0.70 0.15 5.77 0.00 -1.26 -4.90 105.19 106.12 2ctt n GLY 100 Ca -0.00 0.36 -0.13 0.00 0.00 0.00 0.00 46.02 46.25 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 1.86 0.45 -4.85 1.61 0.13 -2.04 -3.38 132.00 125.78 2ctt h PRO 101 Ca -0.36 -0.24 -0.71 0.00 -0.87 0.00 0.00 66.00 63.82 2ctt h PRO 101 Cb 1.37 0.01 -0.19 0.00 0.13 0.00 0.00 31.00 32.32 2ctt h PRO 101 CO 0.61 0.80 0.73 0.45 -0.23 0.00 0.00 178.00 180.36 2ctt s SER 102 N -6.23 6.65 -0.26 1.44 0.15 -1.26 -4.98 113.70 109.21 2ctt s SER 102 Ca -0.14 -2.15 0.02 0.00 0.70 0.00 0.00 55.95 54.39 2ctt s SER 102 Cb 0.06 -2.37 0.06 0.00 -1.71 0.00 0.00 66.02 62.06 2ctt s SER 102 CO 0.77 -0.99 -0.11 -0.94 1.20 0.00 0.00 173.24 173.18 2ctt s SER 103 N 3.41 4.40 0.00 5.45 1.04 -1.26 -5.18 113.70 121.56 2ctt s SER 103 Ca 0.31 -1.34 0.30 0.00 0.48 0.00 0.00 55.95 55.70 2ctt s SER 103 Cb -0.06 -1.56 1.51 0.00 0.10 0.00 0.00 66.02 66.02 2ctt s SER 103 CO -0.09 -0.18 2.01 0.61 0.98 0.00 0.00 173.24 176.56