#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 0.38 0.34 1.61 0.01 -1.26 -5.19 113.70 109.59 2ctt s SER 2 Ca 0.00 -1.22 -0.08 0.00 1.31 0.00 0.00 55.95 55.96 2ctt s SER 2 Cb 0.00 0.68 0.02 0.00 0.21 0.00 0.00 66.02 66.92 2ctt s SER 2 CO 0.00 -1.32 0.57 -0.44 0.41 0.00 0.00 173.24 172.46 2ctt s SER 3 N -3.13 0.48 0.00 2.44 0.01 -1.26 -5.19 113.70 107.06 2ctt s SER 3 Ca 0.25 -1.29 0.00 0.00 1.31 0.00 0.00 55.95 56.22 2ctt s SER 3 Cb -0.01 0.71 0.00 0.00 0.21 0.00 0.00 66.02 66.92 2ctt s SER 3 CO 0.15 -1.39 0.00 0.61 0.41 0.00 0.00 173.24 173.01 2ctt n GLY 4 N -0.53 1.56 3.60 3.44 0.00 -1.26 -5.19 105.19 106.82 2ctt n GLY 4 Ca -0.02 -0.79 -0.06 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 -0.20 -0.11 1.61 0.15 -1.26 -5.19 113.70 108.70 2ctt s SER 5 Ca 0.00 0.17 -0.33 0.00 0.70 0.00 0.00 55.95 56.50 2ctt s SER 5 Cb 0.00 0.18 0.12 0.00 -1.71 0.00 0.00 66.02 64.61 2ctt s SER 5 CO 0.00 -0.22 1.14 -0.44 1.20 0.00 0.00 173.24 174.92 2ctt s SER 6 N -1.34 -0.17 0.00 5.45 0.01 -1.26 -5.18 113.70 111.21 2ctt s SER 6 Ca 0.05 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.26 2ctt s SER 6 Cb -0.01 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.44 2ctt s SER 6 CO -0.04 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 173.86 2ctt n GLY 7 N -0.20 4.17 3.64 3.44 0.00 -1.26 -5.18 105.19 109.80 2ctt n GLY 7 Ca -0.03 -0.49 -0.04 0.00 0.00 0.00 0.00 46.02 45.45 2ctt n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2ctt s MET 8 N -2.69 0.24 0.06 1.61 0.00 -1.26 -5.19 119.30 112.08 2ctt s MET 8 Ca 0.00 0.31 -0.19 0.00 0.00 0.00 0.00 55.69 55.81 2ctt s MET 8 Cb 0.00 0.10 0.04 0.00 0.00 0.00 0.00 34.83 34.97 2ctt s MET 8 CO 0.00 -0.03 0.44 -1.21 0.00 0.00 0.00 175.02 174.21 2ctt s GLU 9 N 0.33 0.97 -0.29 3.16 2.02 -1.26 -5.17 118.70 118.46 2ctt s GLU 9 Ca 0.03 -0.40 -0.19 0.00 0.02 0.00 0.00 54.97 54.43 2ctt s GLU 9 Cb -0.05 0.44 0.15 0.00 0.10 0.00 0.00 34.13 34.77 2ctt s GLU 9 CO -0.12 -0.35 1.04 -0.48 0.02 0.00 0.00 175.26 175.38 2ctt s LEU 10 N -2.14 -0.43 -0.28 1.80 2.34 -1.26 -5.17 118.68 113.54 2ctt s LEU 10 Ca -0.04 0.73 -0.24 0.00 0.06 0.00 0.00 54.13 54.64 2ctt s LEU 10 Cb -0.00 1.70 0.11 0.00 -0.56 0.00 0.00 46.19 47.43 2ctt s LEU 10 CO -0.04 -0.12 0.93 -0.89 -1.06 0.00 0.00 176.35 175.17 2ctt s THR 11 N 0.89 0.00 -0.10 5.48 2.01 -1.26 -5.18 115.64 117.48 2ctt s THR 11 Ca -0.04 0.00 -0.24 0.00 0.31 0.00 0.00 61.69 61.72 2ctt s THR 11 Cb -0.04 -1.00 0.06 0.00 0.01 0.00 0.00 72.50 71.53 2ctt s THR 11 CO -0.12 0.00 0.57 0.72 -0.69 0.00 0.00 174.62 175.10 2ctt s PHE 12 N 0.38 -0.56 -0.29 4.92 -0.71 -1.26 -5.16 117.98 115.30 2ctt s PHE 12 Ca 0.01 1.11 -0.16 0.00 -1.04 0.00 0.00 56.93 56.85 2ctt s PHE 12 Cb -0.05 0.28 0.16 0.00 -1.21 0.00 0.00 43.02 42.20 2ctt s PHE 12 CO -0.05 -0.46 1.01 0.54 -1.34 0.00 0.00 175.22 174.92 2ctt s ASN 13 N -0.71 -0.46 -0.64 1.98 2.20 -1.26 -5.11 114.94 110.94 2ctt s ASN 13 Ca -0.08 0.72 -0.05 0.00 -0.94 0.00 0.00 52.86 52.51 2ctt s ASN 13 Cb -0.03 1.26 0.17 0.00 -2.00 0.00 0.00 41.25 40.65 2ctt s ASN 13 CO 0.06 -0.11 0.48 -1.10 -2.94 0.00 0.00 177.10 173.48 2ctt s GLN 14 N 1.49 2.71 0.00 3.55 -0.21 -1.26 -5.05 119.66 120.90 2ctt s GLN 14 Ca -0.08 -2.43 0.01 0.00 0.02 0.00 0.00 55.36 52.89 2ctt s GLN 14 Cb -0.04 -3.86 -0.00 0.00 1.00 0.00 0.00 33.01 30.11 2ctt s GLN 14 CO -0.15 -1.19 -0.04 0.00 -2.12 0.00 0.00 175.29 171.79 2ctt s ALA 15 N 0.14 0.32 -0.08 6.09 0.00 -1.26 -5.05 121.76 121.92 2ctt s ALA 15 Ca 0.16 -0.21 -0.04 0.00 0.00 0.00 0.00 51.96 51.87 2ctt s ALA 15 Cb -0.19 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 2ctt s ALA 15 CO -0.04 0.06 -0.10 0.00 0.00 0.00 0.00 175.76 175.68 2ctt n ALA 16 N 2.84 2.48 -0.13 0.00 0.00 -1.26 -4.88 120.51 119.55 2ctt n ALA 16 Ca -0.14 -0.30 -0.26 0.00 0.00 0.00 0.00 53.44 52.74 2ctt n ALA 16 Cb 0.58 0.40 -0.11 0.00 0.00 0.00 0.00 19.45 20.32 2ctt n ALA 16 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2ctt n LYS 17 N -3.31 0.61 -3.64 0.00 4.76 -1.26 -5.04 118.16 110.27 2ctt n LYS 17 Ca -0.15 0.23 -0.21 0.00 -2.87 0.00 0.00 58.31 55.31 2ctt n LYS 17 Cb 0.61 -1.51 0.01 0.00 -1.84 0.00 0.00 35.03 32.30 2ctt n LYS 17 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ctt n GLY 18 N 1.60 -1.24 0.39 0.72 0.00 -1.26 -4.95 105.19 100.46 2ctt n GLY 18 Ca -0.51 0.54 -0.07 0.00 0.00 0.00 0.00 46.02 45.98 2ctt n GLY 18 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ctt n VAL 19 N -2.76 1.39 -2.61 1.61 0.31 -1.26 -4.86 118.33 110.14 2ctt n VAL 19 Ca -0.21 0.19 -0.13 0.00 -0.01 0.00 0.00 64.34 64.17 2ctt n VAL 19 Cb 0.63 -2.08 0.02 0.00 -0.91 0.00 0.00 33.84 31.51 2ctt n VAL 19 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2ctt n ASN 20 N -4.13 2.34 -3.46 4.52 6.94 -1.26 -4.96 115.26 115.25 2ctt n ASN 20 Ca -0.12 -2.92 -0.26 0.00 -0.02 0.00 0.00 54.58 51.26 2ctt n ASN 20 Cb 0.39 -0.50 -0.05 0.00 -2.36 0.00 0.00 39.78 37.25 2ctt n ASN 20 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 2ctt n LYS 21 N -0.23 -0.83 -0.16 -3.83 2.85 -1.26 -4.74 118.16 109.96 2ctt n LYS 21 Ca 0.17 0.08 -0.11 0.00 -1.05 0.00 0.00 58.31 57.40 2ctt n LYS 21 Cb 0.79 -2.90 -0.00 0.00 -0.65 0.00 0.00 35.03 32.26 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 -0.58 0.95 -0.30 -1.58 4.57 -1.99 -3.16 114.58 112.49 2ctt h GLU 22 Ca -0.38 -0.39 0.05 0.00 -1.18 0.00 0.00 59.36 57.46 2ctt h GLU 22 Cb 0.88 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.38 2ctt h GLU 22 CO 0.56 1.05 -0.01 0.74 -1.18 0.00 0.00 179.01 180.17 2ctt h PHE 23 N 0.79 -0.03 -3.40 0.92 0.04 -2.02 -3.39 116.94 109.85 2ctt h PHE 23 Ca 0.11 0.02 -0.65 0.00 2.80 0.00 0.00 57.97 60.25 2ctt h PHE 23 Cb 0.73 0.06 -0.26 0.00 2.20 0.00 0.00 35.95 38.68 2ctt h PHE 23 CO 0.05 -0.06 -0.71 0.95 -0.60 0.00 0.00 178.31 177.95 2ctt s THR 24 N -6.19 3.54 0.28 -1.55 -4.23 -1.19 -5.09 115.64 101.21 2ctt s THR 24 Ca -0.13 -0.45 -0.29 0.00 -1.18 0.00 0.00 61.69 59.63 2ctt s THR 24 Cb 0.12 -2.59 -0.10 0.00 1.34 0.00 0.00 72.50 71.27 2ctt s THR 24 CO 0.70 0.44 1.18 -0.69 -0.54 0.00 0.00 174.62 175.70 2ctt s VAL 25 N 1.15 3.26 -0.38 2.29 1.01 -1.26 -4.80 120.40 121.68 2ctt s VAL 25 Ca 0.02 1.24 0.10 0.00 0.00 0.00 0.00 61.98 63.34 2ctt s VAL 25 Cb -0.15 -3.79 0.44 0.00 0.00 0.00 0.00 36.38 32.89 2ctt s VAL 25 CO -0.00 0.28 1.07 -3.20 0.00 0.00 0.00 175.10 173.25 2ctt n ASN 26 N 1.28 3.59 -4.55 3.32 5.15 -1.26 -5.03 115.26 117.75 2ctt n ASN 26 Ca 0.00 -3.32 -0.40 0.00 -0.60 0.00 0.00 54.58 50.26 2ctt n ASN 26 Cb 0.44 -0.47 -0.03 0.00 -0.53 0.00 0.00 39.78 39.19 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 -4.62 3.66 -0.19 -1.44 1.01 -1.26 -4.96 121.20 113.41 2ctt s ILE 27 Ca 0.41 0.24 -0.01 0.00 0.00 0.00 0.00 60.65 61.29 2ctt s ILE 27 Cb 0.41 -4.71 0.05 0.00 0.01 0.00 0.00 42.46 38.23 2ctt s ILE 27 CO -0.09 -1.65 -0.04 -0.04 0.00 0.00 0.00 174.94 173.12 2ctt s MET 28 N 5.97 1.38 0.38 2.79 -1.94 -1.26 -4.21 119.30 122.41 2ctt s MET 28 Ca 0.44 -0.61 0.01 0.00 -1.71 0.00 0.00 55.69 53.81 2ctt s MET 28 Cb -0.08 -2.15 -0.00 0.00 2.01 0.00 0.00 34.83 34.60 2ctt s MET 28 CO 0.13 -0.50 0.04 -3.47 -0.01 0.00 0.00 175.02 171.22 2ctt n ASP 29 N 4.85 2.41 -4.75 3.03 2.03 -0.84 -4.96 116.55 118.33 2ctt n ASP 29 Ca -0.12 -2.78 -0.41 0.00 0.52 0.00 0.00 54.79 52.01 2ctt n ASP 29 Cb 0.47 0.49 -0.04 0.00 -0.72 0.00 0.00 41.12 41.31 2ctt n ASP 29 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2ctt s THR 30 N -2.59 3.79 0.59 5.18 2.01 -1.26 -0.03 115.64 123.33 2ctt s THR 30 Ca 0.06 1.66 -0.18 0.00 0.31 0.00 0.00 61.69 63.55 2ctt s THR 30 Cb 0.00 -4.06 -0.07 0.00 0.01 0.00 0.00 72.50 68.38 2ctt s THR 30 CO 0.04 0.34 0.59 0.00 -0.69 0.00 0.00 174.62 174.90 2ctt n GLU 32 N -0.28 1.33 -0.11 0.00 0.28 -1.26 -2.82 120.64 117.79 2ctt n GLU 32 Ca 0.12 0.02 -0.11 0.00 -0.16 0.00 0.00 57.16 57.03 2ctt n GLU 32 Cb 0.48 -1.38 -0.03 0.00 1.43 0.00 0.00 31.44 31.94 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 -3.21 114.38 115.60 2ctt h ARG 33 Ca -0.41 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 2ctt h ARG 33 Cb 1.85 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.35 2ctt h ARG 33 CO 0.00 0.65 -0.86 0.00 -1.51 0.00 0.00 179.97 178.26 2ctt n ASN 35 N -1.38 -5.14 -1.41 0.00 3.02 -1.13 -2.45 115.26 106.76 2ctt n ASN 35 Ca 0.04 -0.49 -0.11 0.00 -0.03 0.00 0.00 54.58 53.99 2ctt n ASN 35 Cb 0.29 -4.52 0.01 0.00 -0.61 0.00 0.00 39.78 34.95 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 -1.70 0.02 0.26 7.41 0.00 -1.13 -4.90 105.19 105.16 2ctt n GLY 36 Ca -0.04 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.19 0.47 0.00 1.61 4.76 -1.02 -4.84 118.16 116.94 2ctt n LYS 37 Ca -0.09 0.20 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 2ctt n LYS 37 Cb 0.58 -1.30 0.00 0.00 -1.84 0.00 0.00 35.03 32.46 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 1.66 1.39 3.06 0.72 0.00 -1.26 -4.84 105.19 105.92 2ctt n GLY 38 Ca -0.29 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 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 0.52 0.34 1.61 4.22 -1.26 -2.71 114.94 115.66 2ctt s ASN 39 Ca 0.00 -0.81 -0.29 0.00 -2.14 0.00 0.00 52.86 49.63 2ctt s ASN 39 Cb 0.00 0.14 -0.11 0.00 1.28 0.00 0.00 41.25 42.57 2ctt s ASN 39 CO 0.00 -0.46 1.42 -1.61 -2.04 0.00 0.00 177.10 174.42 2ctt s GLU 40 N -2.94 4.22 0.00 3.55 0.41 -1.10 -4.43 118.70 118.41 2ctt s GLU 40 Ca -0.01 2.41 0.00 0.00 -0.41 0.00 0.00 54.97 56.96 2ctt s GLU 40 Cb 0.00 -3.03 0.00 0.00 -1.78 0.00 0.00 34.13 29.33 2ctt s GLU 40 CO -0.06 -0.40 0.34 -0.35 -0.49 0.00 0.00 175.26 174.31 2ctt n PRO 41 N 0.91 0.49 -2.68 0.39 -0.04 -1.26 -2.85 135.00 129.95 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 -1.15 0.12 0.00 -0.04 0.00 0.00 33.50 32.84 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 0.15 2.02 2.78 0.55 0.00 -1.26 -5.14 105.19 104.28 2ctt n GLY 42 Ca 0.00 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.47 0.00 -4.28 2.61 -2.24 -1.13 -5.16 114.28 102.60 2ctt n THR 43 Ca -0.16 -1.98 -0.26 0.00 -2.27 0.00 0.00 64.05 59.37 2ctt n THR 43 Cb 0.87 0.74 -0.09 0.00 -2.10 0.00 0.00 70.33 69.76 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 -3.28 2.12 -0.08 -0.78 3.01 -1.26 -4.98 119.74 114.50 2ctt s LYS 44 Ca 0.19 -1.26 -0.09 0.00 -1.01 0.00 0.00 55.97 53.80 2ctt s LYS 44 Cb 0.01 -2.18 0.02 0.00 -1.01 0.00 0.00 37.83 34.67 2ctt s LYS 44 CO 0.13 0.43 0.24 0.54 0.51 0.00 0.00 175.35 177.20 2ctt s VAL 45 N -1.76 0.01 0.20 3.17 0.11 -1.26 -3.13 120.40 117.74 2ctt s VAL 45 Ca 0.26 -0.10 0.06 0.00 -2.93 0.00 0.00 61.98 59.27 2ctt s VAL 45 Cb -0.09 -0.37 -0.04 0.00 -1.53 0.00 0.00 36.38 34.36 2ctt s VAL 45 CO 0.16 -0.05 0.12 -1.10 -3.33 0.00 0.00 175.10 170.89 2ctt s GLN 46 N -0.11 2.78 0.37 1.54 -0.21 -0.80 -4.93 119.66 118.30 2ctt s GLN 46 Ca -0.02 -1.00 -0.25 0.00 0.02 0.00 0.00 55.36 54.11 2ctt s GLN 46 Cb -0.02 -2.54 -0.09 0.00 1.00 0.00 0.00 33.01 31.36 2ctt s GLN 46 CO 0.01 0.45 1.03 -1.58 -2.12 0.00 0.00 175.29 173.08 2ctt s HIS 47 N -1.89 3.39 0.17 0.91 5.65 -1.26 0.92 115.29 123.17 2ctt s HIS 47 Ca 0.31 1.68 -0.04 0.00 0.25 0.00 0.00 55.06 57.25 2ctt s HIS 47 Cb -0.09 -3.10 -0.05 0.00 -1.18 0.00 0.00 32.58 28.16 2ctt s HIS 47 CO 0.23 -0.44 0.40 0.00 -0.65 0.00 0.00 174.74 174.28 2ctt n HIS 49 N -0.17 0.00 -0.35 0.00 -0.00 -1.26 -3.56 115.22 109.88 2ctt n HIS 49 Ca -0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.60 2ctt n HIS 49 Cb 0.52 -0.61 -0.08 0.00 -0.00 0.00 0.00 29.99 29.83 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 -2.90 -0.36 -0.08 1.57 4.02 -1.26 -2.66 117.16 115.49 2ctt n TYR 50 Ca -0.27 1.05 -0.19 0.00 -0.01 0.00 0.00 57.90 58.48 2ctt n TYR 50 Cb 0.81 -0.58 -0.13 0.00 -0.02 0.00 0.00 39.34 39.43 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 2.16 0.78 0.00 0.00 0.00 -1.09 -4.06 105.19 102.98 2ctt n GLY 52 Ca -0.41 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.38 1.99 0.16 -0.02 0.00 -1.26 -4.93 105.19 98.77 2ctt n GLY 53 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 2ctt n GLY 53 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2ctt h SER 54 N 0.00 0.00 0.00 1.61 4.64 -1.90 -3.41 113.55 114.49 2ctt h SER 54 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ctt h SER 54 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2ctt h SER 54 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2ctt n GLY 55 N 1.02 0.96 3.46 -0.77 0.00 -1.26 -4.92 105.19 103.68 2ctt n GLY 55 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 2ctt n GLY 55 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ctt s MET 56 N -0.03 2.16 0.26 1.61 1.00 -1.26 -2.80 119.30 120.24 2ctt s MET 56 Ca 0.00 -0.92 0.07 0.00 0.00 0.00 0.00 55.69 54.84 2ctt s MET 56 Cb 0.00 -2.22 -0.03 0.00 0.00 0.00 0.00 34.83 32.57 2ctt s MET 56 CO 0.00 0.56 0.21 -2.00 0.00 0.00 0.00 175.02 173.79 2ctt s GLU 57 N -1.28 2.91 -0.09 2.03 2.12 0.47 -3.71 118.70 121.15 2ctt s GLU 57 Ca 0.14 -1.07 0.04 0.00 0.36 0.00 0.00 54.97 54.44 2ctt s GLU 57 Cb -0.10 -2.56 -0.00 0.00 0.26 0.00 0.00 34.13 31.72 2ctt s GLU 57 CO 0.04 0.37 -0.24 0.99 -0.54 0.00 0.00 175.26 175.88 2ctt s THR 58 N -2.15 2.06 -0.51 -1.70 2.01 -1.26 -2.73 115.64 111.36 2ctt s THR 58 Ca 0.34 -1.03 -0.04 0.00 0.31 0.00 0.00 61.69 61.27 2ctt s THR 58 Cb -0.08 -1.77 0.13 0.00 0.01 0.00 0.00 72.50 70.79 2ctt s THR 58 CO 0.25 0.56 0.33 -0.63 -0.69 0.00 0.00 174.62 174.44 2ctt s ILE 59 N 0.26 3.66 -0.69 1.82 1.09 -0.91 -4.99 121.20 121.44 2ctt s ILE 59 Ca -0.16 -2.36 -0.27 0.00 -1.10 0.00 0.00 60.65 56.75 2ctt s ILE 59 Cb -0.17 -3.44 0.01 0.00 -1.06 0.00 0.00 42.46 37.80 2ctt s ILE 59 CO 0.08 -0.78 1.47 0.20 -0.10 0.00 0.00 174.94 175.81 2ctt s ASN 60 N 1.55 5.88 -0.17 3.58 -0.87 -1.26 -0.87 114.94 122.77 2ctt s ASN 60 Ca 0.11 -0.15 0.00 0.00 -1.57 0.00 0.00 52.86 51.26 2ctt s ASN 60 Cb -0.22 -2.55 0.03 0.00 -0.02 0.00 0.00 41.25 38.50 2ctt s ASN 60 CO -0.04 -2.00 -0.11 0.28 -2.57 0.00 0.00 177.10 172.67 2ctt s THR 61 N 6.81 1.52 0.00 1.60 -1.32 -0.77 -5.01 115.64 118.47 2ctt s THR 61 Ca 0.46 -0.80 0.00 0.00 -1.21 0.00 0.00 61.69 60.15 2ctt s THR 61 Cb -0.10 -1.55 0.00 0.00 -1.51 0.00 0.00 72.50 69.35 2ctt s THR 61 CO 0.18 0.27 0.00 0.61 -2.21 0.00 0.00 174.62 173.46 2ctt n GLY 62 N 4.75 0.95 0.00 6.08 0.00 -1.26 -2.44 105.19 113.27 2ctt n GLY 62 Ca -0.15 -0.71 0.06 0.00 0.00 0.00 0.00 46.02 45.21 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 -4.46 1.61 -0.04 -1.26 -4.74 135.00 126.59 2ctt n PRO 63 Ca 0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 2ctt n PRO 63 Cb 0.00 -1.36 -0.08 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 1.76 -0.05 0.54 -0.12 -1.02 -5.17 117.98 111.92 2ctt s PHE 64 Ca 0.17 -1.33 -0.05 0.00 -0.05 0.00 0.00 56.93 55.66 2ctt s PHE 64 Cb 0.08 -1.07 0.01 0.00 -0.63 0.00 0.00 43.02 41.41 2ctt s PHE 64 CO 0.13 -0.39 0.14 0.54 -0.05 0.00 0.00 175.22 175.59 2ctt s VAL 65 N -3.29 0.01 0.49 -2.49 0.11 -1.26 -1.85 120.40 112.12 2ctt s VAL 65 Ca 0.28 -0.08 0.09 0.00 -2.93 0.00 0.00 61.98 59.34 2ctt s VAL 65 Cb 0.03 -0.23 0.04 0.00 -1.53 0.00 0.00 36.38 34.69 2ctt s VAL 65 CO 0.17 -0.04 0.65 -0.04 -3.33 0.00 0.00 175.10 172.50 2ctt s MET 66 N -0.08 2.57 -0.05 1.54 1.00 -0.05 -4.94 119.30 119.29 2ctt s MET 66 Ca -0.02 -1.46 0.01 0.00 0.00 0.00 0.00 55.69 54.22 2ctt s MET 66 Cb -0.02 -2.67 0.02 0.00 0.00 0.00 0.00 34.83 32.17 2ctt s MET 66 CO 0.00 -0.53 -0.04 1.03 0.00 0.00 0.00 175.02 175.48 2ctt s ARG 67 N -4.47 0.89 -0.08 2.03 1.81 -1.26 -2.14 118.95 115.73 2ctt s ARG 67 Ca 0.57 -0.09 -0.21 0.00 -1.72 0.00 0.00 55.73 54.28 2ctt s ARG 67 Cb -0.08 -0.95 0.05 0.00 -0.45 0.00 0.00 34.95 33.52 2ctt s ARG 67 CO 0.35 -0.13 0.48 0.45 -0.68 0.00 0.00 175.30 175.78 2ctt s SER 68 N 1.15 -0.44 0.89 0.23 0.15 -1.10 -5.02 113.70 109.55 2ctt s SER 68 Ca -0.07 0.56 -0.17 0.00 0.70 0.00 0.00 55.95 56.97 2ctt s SER 68 Cb -0.14 0.60 -0.14 0.00 -1.71 0.00 0.00 66.02 64.63 2ctt s SER 68 CO -0.01 -0.42 -0.58 0.41 1.20 0.00 0.00 173.24 173.84 2ctt n THR 69 N 1.61 0.05 -0.96 6.45 -1.04 -1.26 -0.40 114.28 118.73 2ctt n THR 69 Ca -0.18 -0.48 -0.29 0.00 -2.04 0.00 0.00 64.05 61.05 2ctt n THR 69 Cb 0.56 -0.05 0.18 0.00 -1.82 0.00 0.00 70.33 69.21 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 -4.26 1.79 0.17 0.00 5.12 -1.26 -4.06 116.66 114.16 2ctt n ARG 71 Ca 0.06 0.01 -0.11 0.00 -1.93 0.00 0.00 57.85 55.88 2ctt n ARG 71 Cb 0.55 -1.07 -0.06 0.00 -1.16 0.00 0.00 32.46 30.72 2ctt n ARG 71 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2ctt h ARG 72 N 0.00 -0.48 0.05 5.56 2.47 -2.01 -3.39 114.38 116.59 2ctt h ARG 72 Ca -0.08 0.03 -0.24 0.00 -1.26 0.00 0.00 59.98 58.44 2ctt h ARG 72 Cb 1.14 0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 29.55 2ctt h ARG 72 CO -0.00 -0.19 -1.27 0.00 0.56 0.00 0.00 179.97 179.06 2ctt n GLY 74 N 1.60 1.74 0.53 0.00 0.00 -1.26 -4.63 105.19 103.17 2ctt n GLY 74 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.15 0.70 0.00 -0.02 0.00 -1.24 -4.78 105.19 98.70 2ctt n GLY 75 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.34 0.31 0.00 1.61 0.63 -1.26 -4.83 116.66 112.78 2ctt n ARG 76 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2ctt n ARG 76 Cb 0.22 -0.74 0.00 0.00 0.45 0.00 0.00 32.46 32.39 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 2.32 0.43 3.36 5.14 0.00 -1.26 -4.75 105.19 110.43 2ctt n GLY 77 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.05 -0.37 -0.60 1.61 0.01 -1.26 -1.95 113.70 109.08 2ctt s SER 78 Ca 0.00 0.22 -0.20 0.00 1.31 0.00 0.00 55.95 57.28 2ctt s SER 78 Cb 0.00 0.43 0.10 0.00 0.21 0.00 0.00 66.02 66.76 2ctt s SER 78 CO 0.00 -0.61 0.75 -0.63 0.41 0.00 0.00 173.24 173.16 2ctt s ILE 79 N -1.88 4.73 -0.78 1.44 1.09 0.26 -4.72 121.20 121.34 2ctt s ILE 79 Ca -0.09 -0.85 -0.26 0.00 -1.10 0.00 0.00 60.65 58.35 2ctt s ILE 79 Cb -0.02 -4.52 0.02 0.00 -1.06 0.00 0.00 42.46 36.89 2ctt s ILE 79 CO 0.02 -1.17 1.43 -0.63 -0.10 0.00 0.00 174.94 174.49 2ctt s ILE 80 N 2.94 3.69 0.51 2.92 1.01 -1.26 -1.90 121.20 129.11 2ctt s ILE 80 Ca 0.14 0.13 0.33 0.00 0.00 0.00 0.00 60.65 61.25 2ctt s ILE 80 Cb -0.23 -4.75 0.53 0.00 0.01 0.00 0.00 42.46 38.02 2ctt s ILE 80 CO 0.07 -1.68 1.77 0.40 0.00 0.00 0.00 174.94 175.50 2ctt h ILE 81 N 6.36 0.39 -3.10 2.92 5.03 -1.93 -3.25 117.51 123.92 2ctt h ILE 81 Ca -0.17 -0.03 -0.59 0.00 -0.12 0.00 0.00 64.86 63.95 2ctt h ILE 81 Cb 1.06 0.30 -0.40 0.00 -3.03 0.00 0.00 36.82 34.74 2ctt h ILE 81 CO 1.29 0.02 -0.76 -0.55 -0.68 0.00 0.00 178.15 177.47 2ctt s SER 82 N -5.07 3.91 0.25 1.72 0.15 -1.26 -5.07 113.70 108.33 2ctt s SER 82 Ca -0.06 -1.89 -0.30 0.00 0.70 0.00 0.00 55.95 54.40 2ctt s SER 82 Cb 0.24 -0.90 -0.09 0.00 -1.71 0.00 0.00 66.02 63.56 2ctt s SER 82 CO 0.81 -0.38 1.27 -2.16 1.20 0.00 0.00 173.24 173.98 2ctt s PRO 83 N 1.30 4.43 0.52 5.44 0.04 -1.23 -2.72 135.00 142.77 2ctt s PRO 83 Ca 0.12 2.05 -0.14 0.00 0.04 0.00 0.00 61.00 63.06 2ctt s PRO 83 Cb -0.19 -3.16 -0.12 0.00 0.04 0.00 0.00 34.50 31.06 2ctt s PRO 83 CO -0.18 -0.15 -0.25 0.00 0.04 0.00 0.00 177.00 176.46 2ctt n VAL 85 N -1.44 0.00 -0.13 0.00 0.24 -1.26 -3.12 118.33 112.62 2ctt n VAL 85 Ca 0.04 -0.36 -0.27 0.00 -2.04 0.00 0.00 64.34 61.71 2ctt n VAL 85 Cb 0.40 1.19 -0.10 0.00 -1.47 0.00 0.00 33.84 33.86 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 -0.05 1.53 0.42 3.34 0.31 -1.26 -4.64 118.33 117.97 2ctt n VAL 86 Ca 0.06 -0.28 0.08 0.00 -0.01 0.00 0.00 64.34 64.19 2ctt n VAL 86 Cb 0.32 -1.94 -0.11 0.00 -0.91 0.00 0.00 33.84 31.20 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 -1.67 -6.45 -3.22 0.00 5.12 -1.18 -2.77 116.66 106.48 2ctt n ARG 88 Ca 0.00 0.76 -0.16 0.00 -1.93 0.00 0.00 57.85 56.52 2ctt n ARG 88 Cb 0.32 -5.55 0.05 0.00 -1.16 0.00 0.00 32.46 26.13 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 -1.40 -0.09 0.08 -0.13 0.00 -1.25 -4.85 105.19 97.55 2ctt n GLY 89 Ca -0.16 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 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 -4.14 1.65 -0.26 4.61 0.00 -1.12 -4.91 120.51 116.34 2ctt n ALA 90 Ca -0.00 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.70 2ctt n ALA 90 Cb 0.54 0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.09 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 2.62 0.72 3.05 0.00 0.00 -1.26 -5.01 105.19 105.31 2ctt n GLY 91 Ca -0.28 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.74 0.30 0.17 1.61 -0.21 -1.26 -2.99 119.66 116.53 2ctt s GLN 92 Ca 0.00 -0.10 -0.09 0.00 0.02 0.00 0.00 55.36 55.19 2ctt s GLN 92 Cb 0.00 0.13 -0.01 0.00 1.00 0.00 0.00 33.01 34.13 2ctt s GLN 92 CO 0.00 -0.06 0.28 0.00 -2.12 0.00 0.00 175.29 173.40 2ctt s ALA 93 N -0.62 0.01 -0.66 6.09 0.00 0.95 -4.60 121.76 122.93 2ctt s ALA 93 Ca -0.07 -0.89 -0.27 0.00 0.00 0.00 0.00 51.96 50.73 2ctt s ALA 93 Cb -0.04 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.95 2ctt s ALA 93 CO 0.01 -0.65 1.57 0.15 0.00 0.00 0.00 175.76 176.84 2ctt s LYS 94 N -3.97 2.93 -0.28 0.00 1.02 -1.26 -1.98 119.74 116.19 2ctt s LYS 94 Ca 0.17 0.23 -0.08 0.00 0.02 0.00 0.00 55.97 56.31 2ctt s LYS 94 Cb 0.03 -4.28 -0.01 0.00 -0.52 0.00 0.00 37.83 33.06 2ctt s LYS 94 CO 0.00 -2.41 0.09 -0.65 -0.92 0.00 0.00 175.35 171.46 2ctt s GLN 95 N 6.35 3.33 -0.09 1.68 1.11 -1.26 -4.98 119.66 125.80 2ctt s GLN 95 Ca 0.52 -0.70 -0.02 0.00 0.01 0.00 0.00 55.36 55.17 2ctt s GLN 95 Cb -0.10 -3.40 -0.03 0.00 -1.01 0.00 0.00 33.01 28.46 2ctt s GLN 95 CO 0.19 -0.36 2.51 1.63 0.01 0.00 0.00 175.29 179.27 2ctt n LYS 96 N 4.91 1.52 -3.75 2.91 4.76 -1.26 -4.71 118.16 122.55 2ctt n LYS 96 Ca -0.15 -0.73 -0.29 0.00 -2.87 0.00 0.00 58.31 54.27 2ctt n LYS 96 Cb 0.49 -1.47 -0.16 0.00 -1.84 0.00 0.00 35.03 32.06 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 -0.18 0.75 -0.33 1.97 2.36 -1.26 -5.10 119.74 117.95 2ctt s LYS 97 Ca 0.28 -0.68 -0.42 0.00 -2.55 0.00 0.00 55.97 52.59 2ctt s LYS 97 Cb 0.16 -2.08 -0.17 0.00 -1.05 0.00 0.00 37.83 34.69 2ctt s LYS 97 CO -0.02 -0.76 1.64 -2.13 1.55 0.00 0.00 175.35 175.63 2ctt n ARG 98 N 4.96 0.69 -0.06 4.03 0.63 -1.26 -4.85 116.66 120.80 2ctt n ARG 98 Ca -0.07 0.25 -0.11 0.00 -0.92 0.00 0.00 57.85 57.00 2ctt n ARG 98 Cb 0.45 -1.86 -0.04 0.00 0.45 0.00 0.00 32.46 31.46 2ctt n ARG 98 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2ctt n SER 99 N 4.57 1.41 0.00 6.15 2.88 -1.26 -5.15 113.62 122.21 2ctt n SER 99 Ca 0.27 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 58.04 2ctt n SER 99 Cb 0.06 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.98 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 2.13 0.62 3.72 0.46 0.00 -1.26 -5.06 105.19 105.79 2ctt n GLY 100 Ca -0.20 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.28 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 -0.88 4.35 -0.52 1.61 0.04 -1.26 -4.99 135.00 133.34 2ctt s PRO 101 Ca 0.00 2.03 -0.17 0.00 0.04 0.00 0.00 61.00 62.90 2ctt s PRO 101 Cb 0.00 -3.25 0.09 0.00 0.04 0.00 0.00 34.50 31.38 2ctt s PRO 101 CO 0.00 -0.38 0.53 0.45 0.04 0.00 0.00 177.00 177.63 2ctt s SER 102 N 0.97 6.18 -1.08 6.66 0.15 -1.26 -5.00 113.70 120.33 2ctt s SER 102 Ca 0.63 -1.41 -0.12 0.00 0.70 0.00 0.00 55.95 55.75 2ctt s SER 102 Cb -0.36 -2.23 0.23 0.00 -1.71 0.00 0.00 66.02 61.95 2ctt s SER 102 CO 0.31 -0.84 1.13 -0.44 1.20 0.00 0.00 173.24 174.61 2ctt s SER 103 N 3.10 7.13 0.00 5.45 0.01 -1.26 -5.32 113.70 122.82 2ctt s SER 103 Ca 0.07 -3.21 0.22 0.00 1.31 0.00 0.00 55.95 54.33 2ctt s SER 103 Cb -0.25 -2.27 0.17 0.00 0.21 0.00 0.00 66.02 63.88 2ctt s SER 103 CO 0.06 -0.49 1.19 0.61 0.41 0.00 0.00 173.24 175.02