#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 0.01 -0.06 1.61 0.01 -1.26 -5.18 113.70 108.84 2ctt s SER 2 Ca 0.00 -0.98 -0.05 0.00 1.31 0.00 0.00 55.95 56.22 2ctt s SER 2 Cb 0.00 0.62 0.02 0.00 0.21 0.00 0.00 66.02 66.87 2ctt s SER 2 CO 0.00 -1.21 0.16 -0.55 0.41 0.00 0.00 173.24 172.05 2ctt s SER 3 N -3.04 -0.16 0.24 2.44 0.15 -1.26 -5.17 113.70 106.90 2ctt s SER 3 Ca 0.22 0.32 -0.09 0.00 0.70 0.00 0.00 55.95 57.11 2ctt s SER 3 Cb -0.01 0.32 -0.01 0.00 -1.71 0.00 0.00 66.02 64.60 2ctt s SER 3 CO 0.10 -0.06 0.38 -0.83 1.20 0.00 0.00 173.24 174.03 2ctt s GLY 4 N 0.14 0.88 -0.22 9.45 0.00 -1.26 -5.18 107.32 111.13 2ctt s GLY 4 Ca -0.00 -1.17 -0.25 0.00 0.00 0.00 0.00 44.72 43.30 2ctt s GLY 4 CO -0.00 -0.88 0.69 -0.56 0.00 0.00 0.00 173.10 172.35 2ctt s SER 5 N -3.08 -0.71 -0.03 1.64 0.01 -1.26 -5.09 113.70 105.19 2ctt s SER 5 Ca 0.28 1.27 -0.08 0.00 1.31 0.00 0.00 55.95 58.73 2ctt s SER 5 Cb 0.01 1.26 -0.03 0.00 0.21 0.00 0.00 66.02 67.48 2ctt s SER 5 CO 0.11 -0.30 -0.15 -0.24 0.41 0.00 0.00 173.24 173.06 2ctt n SER 6 N 2.39 1.39 0.00 2.44 2.88 -1.26 -5.15 113.62 116.32 2ctt n SER 6 Ca -0.15 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 2ctt n SER 6 Cb 0.55 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 2ctt n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ctt n GLY 7 N 2.54 -2.51 3.81 0.46 0.00 -1.26 -5.12 105.19 103.11 2ctt n GLY 7 Ca -0.06 -1.42 -0.01 0.00 0.00 0.00 0.00 46.02 44.53 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 -3.32 0.89 0.05 1.61 0.00 -1.26 -5.19 119.30 112.07 2ctt s MET 8 Ca 0.00 -0.54 -0.27 0.00 0.00 0.00 0.00 55.69 54.87 2ctt s MET 8 Cb 0.00 0.27 0.10 0.00 0.00 0.00 0.00 34.83 35.20 2ctt s MET 8 CO 0.00 -0.42 1.20 -1.83 0.00 0.00 0.00 175.02 173.97 2ctt s GLU 9 N -2.46 0.68 -0.20 3.16 -1.05 -1.26 -5.17 118.70 112.40 2ctt s GLU 9 Ca 0.19 -0.41 -0.10 0.00 -0.15 0.00 0.00 54.97 54.50 2ctt s GLU 9 Cb -0.00 0.21 0.07 0.00 -0.44 0.00 0.00 34.13 33.97 2ctt s GLU 9 CO 0.01 -0.31 0.46 -0.48 0.95 0.00 0.00 175.26 175.89 2ctt s LEU 10 N -3.29 -0.35 -0.07 1.83 2.34 -1.26 -5.15 118.68 112.73 2ctt s LEU 10 Ca 0.20 1.03 0.01 0.00 0.06 0.00 0.00 54.13 55.42 2ctt s LEU 10 Cb 0.01 1.54 0.02 0.00 -0.56 0.00 0.00 46.19 47.20 2ctt s LEU 10 CO -0.00 -0.21 -0.07 0.42 -1.06 0.00 0.00 176.35 175.43 2ctt s THR 11 N 1.68 0.83 -0.13 5.48 -4.23 -1.26 -5.05 115.64 112.96 2ctt s THR 11 Ca -0.08 -0.25 -0.10 0.00 -1.18 0.00 0.00 61.69 60.08 2ctt s THR 11 Cb -0.09 -0.83 -0.07 0.00 1.34 0.00 0.00 72.50 72.85 2ctt s THR 11 CO -0.14 0.31 0.08 2.19 -0.54 0.00 0.00 174.62 176.52 2ctt h PHE 12 N 7.51 0.00 -6.70 3.99 -0.00 -2.10 -3.48 116.94 116.16 2ctt h PHE 12 Ca -0.31 0.00 -0.54 0.00 -0.00 0.00 0.00 57.97 57.11 2ctt h PHE 12 Cb 1.15 0.00 -0.16 0.00 -0.00 0.00 0.00 35.95 36.95 2ctt h PHE 12 CO 0.49 0.32 -0.87 0.09 -0.00 0.00 0.00 178.31 178.33 2ctt n ASN 13 N -4.66 -1.78 -4.36 -0.68 4.13 -1.26 -4.90 115.26 101.74 2ctt n ASN 13 Ca -0.07 -1.04 -0.43 0.00 1.68 0.00 0.00 54.58 54.71 2ctt n ASN 13 Cb 0.23 -2.72 -0.08 0.00 -1.54 0.00 0.00 39.78 35.67 2ctt n ASN 13 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 2ctt s GLN 14 N -6.85 2.87 -0.34 3.52 0.74 -1.26 -5.04 119.66 113.30 2ctt s GLN 14 Ca 0.41 -1.35 -0.28 0.00 0.05 0.00 0.00 55.36 54.18 2ctt s GLN 14 Cb -0.22 -4.01 -0.02 0.00 1.10 0.00 0.00 33.01 29.86 2ctt s GLN 14 CO 0.92 -0.98 1.77 0.00 -0.55 0.00 0.00 175.29 176.45 2ctt s ALA 15 N 1.58 2.87 -0.27 1.58 0.00 -1.26 -4.90 121.76 121.35 2ctt s ALA 15 Ca 0.04 0.20 -0.31 0.00 0.00 0.00 0.00 51.96 51.89 2ctt s ALA 15 Cb -0.23 -4.02 -0.08 0.00 0.00 0.00 0.00 23.12 18.79 2ctt s ALA 15 CO 0.06 -2.64 2.21 0.00 0.00 0.00 0.00 175.76 175.38 2ctt n ALA 16 N 10.21 1.48 -3.57 0.00 0.00 -1.26 -4.88 120.51 122.49 2ctt n ALA 16 Ca 0.22 -0.16 -0.07 0.00 0.00 0.00 0.00 53.44 53.43 2ctt n ALA 16 Cb 0.47 -2.76 -0.03 0.00 0.00 0.00 0.00 19.45 17.13 2ctt n ALA 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2ctt s LYS 17 N 6.27 0.51 0.00 0.00 2.47 -1.26 -5.17 119.74 122.55 2ctt s LYS 17 Ca 1.04 -0.08 0.00 0.00 -1.56 0.00 0.00 55.97 55.37 2ctt s LYS 17 Cb -0.56 0.23 0.00 0.00 -1.46 0.00 0.00 37.83 36.04 2ctt s LYS 17 CO 0.41 -0.20 0.00 0.41 0.16 0.00 0.00 175.35 176.13 2ctt n GLY 18 N 0.16 1.56 3.57 5.54 0.00 -1.26 -5.07 105.19 109.70 2ctt n GLY 18 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 3.49 4.99 0.14 1.61 -7.23 -1.26 -5.02 120.40 117.11 2ctt s VAL 19 Ca 0.00 0.53 -0.24 0.00 -1.81 0.00 0.00 61.98 60.46 2ctt s VAL 19 Cb 0.00 -3.97 0.07 0.00 0.56 0.00 0.00 36.38 33.04 2ctt s VAL 19 CO 0.00 -0.19 0.72 0.20 -0.31 0.00 0.00 175.10 175.52 2ctt s ASN 20 N 1.73 -0.44 -0.04 4.85 -0.87 -1.26 -5.18 114.94 113.73 2ctt s ASN 20 Ca 0.21 -0.14 -0.06 0.00 -1.57 0.00 0.00 52.86 51.30 2ctt s ASN 20 Cb -0.15 0.56 0.01 0.00 -0.02 0.00 0.00 41.25 41.65 2ctt s ASN 20 CO 0.13 -0.95 0.16 -1.59 -2.57 0.00 0.00 177.10 172.28 2ctt s LYS 21 N -3.60 0.29 -0.24 -0.60 0.00 -1.26 -5.16 119.74 109.17 2ctt s LYS 21 Ca 0.05 0.03 -0.26 0.00 0.00 0.00 0.00 55.97 55.78 2ctt s LYS 21 Cb -0.02 0.13 0.11 0.00 0.00 0.00 0.00 37.83 38.05 2ctt s LYS 21 CO -0.07 -0.05 0.96 -1.83 0.00 0.00 0.00 175.35 174.35 2ctt s GLU 22 N -0.40 0.60 0.38 1.78 4.04 -1.26 -4.99 118.70 118.85 2ctt s GLU 22 Ca -0.05 0.54 0.08 0.00 0.04 0.00 0.00 54.97 55.59 2ctt s GLU 22 Cb -0.03 0.29 -0.06 0.00 0.02 0.00 0.00 34.13 34.35 2ctt s GLU 22 CO 0.01 -0.11 0.03 0.12 -1.84 0.00 0.00 175.26 173.47 2ctt s PHE 23 N -0.11 2.53 -1.09 4.83 5.36 -1.26 -5.07 117.98 123.18 2ctt s PHE 23 Ca 0.01 -0.55 -0.17 0.00 -0.96 0.00 0.00 56.93 55.26 2ctt s PHE 23 Cb -0.04 -1.66 0.14 0.00 -0.34 0.00 0.00 43.02 41.12 2ctt s PHE 23 CO -0.03 0.43 1.34 0.99 -1.46 0.00 0.00 175.22 176.49 2ctt s THR 24 N -2.61 4.73 0.31 0.12 2.01 -1.26 -4.96 115.64 113.99 2ctt s THR 24 Ca 0.36 -1.99 0.00 0.00 0.31 0.00 0.00 61.69 60.37 2ctt s THR 24 Cb 0.04 -4.90 -0.00 0.00 0.01 0.00 0.00 72.50 67.65 2ctt s THR 24 CO 0.19 -1.64 0.02 1.33 -0.69 0.00 0.00 174.62 173.83 2ctt n VAL 25 N 5.32 0.00 -2.84 3.82 0.24 -1.26 -5.07 118.33 118.54 2ctt n VAL 25 Ca 0.32 -1.53 -0.43 0.00 -2.04 0.00 0.00 64.34 60.66 2ctt n VAL 25 Cb 0.46 0.35 -0.03 0.00 -1.47 0.00 0.00 33.84 33.16 2ctt n VAL 25 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2ctt s ASN 26 N -2.76 6.56 -0.31 -1.34 3.84 -1.26 -4.99 114.94 114.68 2ctt s ASN 26 Ca 0.02 -1.83 -0.21 0.00 0.21 0.00 0.00 52.86 51.06 2ctt s ASN 26 Cb 0.00 -2.44 -0.01 0.00 -0.55 0.00 0.00 41.25 38.26 2ctt s ASN 26 CO 0.02 -1.19 0.65 -0.63 -2.79 0.00 0.00 177.10 173.16 2ctt s ILE 27 N 3.30 4.91 -0.26 -5.21 1.09 -1.26 -5.02 121.20 118.75 2ctt s ILE 27 Ca 0.35 0.86 -0.02 0.00 -1.10 0.00 0.00 60.65 60.73 2ctt s ILE 27 Cb -0.05 -4.03 0.09 0.00 -1.06 0.00 0.00 42.46 37.41 2ctt s ILE 27 CO -0.08 -0.18 0.09 -0.04 -0.10 0.00 0.00 174.94 174.62 2ctt s MET 28 N 2.68 0.53 0.16 2.79 -1.94 -1.26 -3.83 119.30 118.42 2ctt s MET 28 Ca 0.26 -0.68 0.00 0.00 -1.71 0.00 0.00 55.69 53.56 2ctt s MET 28 Cb -0.15 -1.80 -0.00 0.00 2.01 0.00 0.00 34.83 34.89 2ctt s MET 28 CO 0.12 -0.87 0.01 -3.47 -0.01 0.00 0.00 175.02 170.79 2ctt n ASP 29 N 5.04 2.30 -4.71 3.03 2.03 -0.35 -4.90 116.55 118.99 2ctt n ASP 29 Ca -0.05 -1.72 -0.42 0.00 0.52 0.00 0.00 54.79 53.12 2ctt n ASP 29 Cb 0.44 0.14 -0.03 0.00 -0.72 0.00 0.00 41.12 40.95 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 -1.64 4.30 0.75 5.18 2.01 -1.26 -0.32 115.64 124.67 2ctt s THR 30 Ca 0.01 1.69 -0.16 0.00 0.31 0.00 0.00 61.69 63.54 2ctt s THR 30 Cb 0.00 -4.08 -0.02 0.00 0.01 0.00 0.00 72.50 68.41 2ctt s THR 30 CO 0.01 0.15 0.63 0.00 -0.69 0.00 0.00 174.62 174.72 2ctt n GLU 32 N -1.19 1.40 -0.23 0.00 0.28 -1.26 -2.25 120.64 117.40 2ctt n GLU 32 Ca 0.10 0.03 -0.03 0.00 -0.16 0.00 0.00 57.16 57.11 2ctt n GLU 32 Cb 0.50 -1.29 0.15 0.00 1.43 0.00 0.00 31.44 32.24 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 1.04 -0.00 3.44 2.43 -1.96 -3.11 114.38 116.21 2ctt h ARG 33 Ca -0.31 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 2ctt h ARG 33 Cb 1.61 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 2ctt h ARG 33 CO -0.01 0.81 -0.11 0.00 -1.51 0.00 0.00 179.97 179.15 2ctt n ASN 35 N -0.26 -4.07 -2.57 0.00 3.02 -1.14 -2.36 115.26 107.88 2ctt n ASN 35 Ca 0.03 -0.50 -0.20 0.00 -0.03 0.00 0.00 54.58 53.87 2ctt n ASN 35 Cb 0.13 -4.49 0.02 0.00 -0.61 0.00 0.00 39.78 34.83 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 -1.49 -0.44 0.37 7.41 0.00 -0.95 -4.85 105.19 105.23 2ctt n GLY 36 Ca -0.11 0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.42 0.41 0.00 1.61 4.76 -0.99 -4.70 118.16 115.83 2ctt n LYS 37 Ca -0.16 0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 2ctt n LYS 37 Cb 0.64 -1.20 0.00 0.00 -1.84 0.00 0.00 35.03 32.63 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 1.81 1.55 3.05 0.72 0.00 -1.26 -4.76 105.19 106.30 2ctt n GLY 38 Ca -0.32 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 2ctt n GLY 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ctt s ASN 39 N -2.00 0.85 0.38 1.61 2.47 -1.26 -2.14 114.94 114.86 2ctt s ASN 39 Ca 0.00 -0.49 -0.27 0.00 0.42 0.00 0.00 52.86 52.52 2ctt s ASN 39 Cb 0.00 0.02 -0.10 0.00 -1.45 0.00 0.00 41.25 39.72 2ctt s ASN 39 CO 0.00 -0.16 1.39 -1.61 -3.72 0.00 0.00 177.10 173.00 2ctt s GLU 40 N -1.39 4.07 0.00 0.43 2.02 -1.13 -4.34 118.70 118.37 2ctt s GLU 40 Ca -0.08 2.38 0.00 0.00 0.02 0.00 0.00 54.97 57.28 2ctt s GLU 40 Cb -0.09 -2.90 0.00 0.00 0.10 0.00 0.00 34.13 31.24 2ctt s GLU 40 CO 0.00 -0.49 0.45 -0.35 0.02 0.00 0.00 175.26 174.90 2ctt n PRO 41 N 0.37 0.49 -0.10 0.39 -0.04 -1.25 -2.07 135.00 132.78 2ctt n PRO 41 Ca 0.02 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.49 2ctt n PRO 41 Cb 0.41 -1.04 0.01 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 0.03 -0.55 1.88 0.55 0.00 -1.26 -5.09 105.19 100.74 2ctt n GLY 42 Ca 0.00 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.21 0.00 -4.71 2.61 -2.24 -0.88 -5.16 114.28 103.70 2ctt n THR 43 Ca 0.01 -1.16 -0.33 0.00 -2.27 0.00 0.00 64.05 60.30 2ctt n THR 43 Cb 0.50 -0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.66 2ctt n THR 43 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2ctt n LYS 44 N -0.89 0.74 -3.80 -0.78 5.02 -1.26 -4.95 118.16 112.24 2ctt n LYS 44 Ca -0.06 -3.77 -0.13 0.00 -2.02 0.00 0.00 58.31 52.34 2ctt n LYS 44 Cb 0.32 0.96 -0.11 0.00 -0.02 0.00 0.00 35.03 36.18 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 -2.87 0.01 0.20 -0.18 1.01 -1.26 -3.43 120.40 113.89 2ctt s VAL 45 Ca 0.02 -0.10 0.08 0.00 0.00 0.00 0.00 61.98 61.98 2ctt s VAL 45 Cb -0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 2ctt s VAL 45 CO 0.02 -0.06 0.01 -1.10 0.00 0.00 0.00 175.10 173.97 2ctt s GLN 46 N -0.12 2.41 -0.33 2.72 -1.52 -0.40 -4.91 119.66 117.50 2ctt s GLN 46 Ca -0.02 -1.18 -0.27 0.00 -1.95 0.00 0.00 55.36 51.93 2ctt s GLN 46 Cb -0.02 -2.32 0.01 0.00 -0.22 0.00 0.00 33.01 30.46 2ctt s GLN 46 CO 0.01 0.43 1.00 -1.58 -0.25 0.00 0.00 175.29 174.90 2ctt s HIS 47 N -1.90 3.14 0.06 0.91 5.65 -1.26 -0.17 115.29 121.71 2ctt s HIS 47 Ca 0.29 1.05 -0.30 0.00 0.25 0.00 0.00 55.06 56.34 2ctt s HIS 47 Cb -0.08 -3.61 -0.05 0.00 -1.18 0.00 0.00 32.58 27.65 2ctt s HIS 47 CO 0.19 -0.75 1.04 0.00 -0.65 0.00 0.00 174.74 174.57 2ctt h HIS 49 N 6.36 0.50 -0.50 0.00 6.17 -1.95 -2.57 115.15 123.16 2ctt h HIS 49 Ca -0.42 -0.36 0.05 0.00 0.71 0.00 0.00 60.37 60.34 2ctt h HIS 49 Cb 1.22 -0.02 -0.06 0.00 2.52 0.00 0.00 27.41 31.07 2ctt h HIS 49 CO 0.66 1.74 -0.30 0.66 0.71 0.00 0.00 177.93 181.41 2ctt n TYR 50 N -3.48 -0.22 -0.04 5.26 4.02 -1.26 -2.41 117.16 119.03 2ctt n TYR 50 Ca -0.30 0.63 -0.18 0.00 -0.01 0.00 0.00 57.90 58.04 2ctt n TYR 50 Cb 1.05 -0.50 -0.14 0.00 -0.02 0.00 0.00 39.34 39.74 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 1.98 0.71 0.24 0.00 0.00 -0.97 -4.18 105.19 102.97 2ctt n GLY 52 Ca -0.33 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.30 1.73 0.00 -0.02 0.00 -1.21 -4.99 105.19 98.40 2ctt n GLY 53 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.24 3.53 0.00 1.61 3.41 -1.26 -4.82 113.62 116.32 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 0.06 0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 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 2.15 0.62 2.84 5.00 0.00 -1.26 -4.83 105.19 109.71 2ctt n GLY 55 Ca 0.00 -0.76 -0.15 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.37 0.19 0.01 1.61 -2.45 -1.26 -3.71 119.30 110.31 2ctt s MET 56 Ca 0.00 0.05 0.01 0.00 -1.25 0.00 0.00 55.69 54.49 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 -0.08 0.06 -2.00 1.05 0.00 0.00 175.02 174.05 2ctt s GLU 57 N 0.65 2.97 -0.18 4.11 2.56 -0.17 -3.92 118.70 124.72 2ctt s GLU 57 Ca -0.06 -0.54 -0.02 0.00 0.00 0.00 0.00 54.97 54.35 2ctt s GLU 57 Cb -0.09 -2.79 -0.01 0.00 2.00 0.00 0.00 34.13 33.24 2ctt s GLU 57 CO -0.01 0.63 -0.09 0.99 -0.56 0.00 0.00 175.26 176.22 2ctt s THR 58 N -1.19 3.17 -0.56 -1.70 2.01 -1.26 -2.44 115.64 113.66 2ctt s THR 58 Ca 0.23 -0.59 -0.12 0.00 0.31 0.00 0.00 61.69 61.52 2ctt s THR 58 Cb -0.12 -2.39 0.14 0.00 0.01 0.00 0.00 72.50 70.15 2ctt s THR 58 CO 0.14 0.48 0.47 -0.63 -0.69 0.00 0.00 174.62 174.39 2ctt s ILE 59 N 0.93 4.74 -0.70 1.82 1.09 -0.91 -4.97 121.20 123.20 2ctt s ILE 59 Ca -0.02 -1.88 -0.27 0.00 -1.10 0.00 0.00 60.65 57.38 2ctt s ILE 59 Cb -0.15 -4.05 0.03 0.00 -1.06 0.00 0.00 42.46 37.23 2ctt s ILE 59 CO -0.00 -0.86 1.28 0.20 -0.10 0.00 0.00 174.94 175.46 2ctt s ASN 60 N 2.78 6.20 -0.26 3.58 -0.87 -1.26 -1.18 114.94 123.92 2ctt s ASN 60 Ca 0.07 -0.30 -0.00 0.00 -1.57 0.00 0.00 52.86 51.07 2ctt s ASN 60 Cb -0.25 -2.56 0.08 0.00 -0.02 0.00 0.00 41.25 38.50 2ctt s ASN 60 CO -0.01 -1.78 0.02 0.28 -2.57 0.00 0.00 177.10 173.04 2ctt s THR 61 N 5.67 1.24 0.00 1.60 -1.32 -0.90 -5.03 115.64 116.90 2ctt s THR 61 Ca 0.38 -1.27 0.00 0.00 -1.21 0.00 0.00 61.69 59.59 2ctt s THR 61 Cb -0.08 -1.71 0.00 0.00 -1.51 0.00 0.00 72.50 69.20 2ctt s THR 61 CO 0.18 -0.34 0.00 0.61 -2.21 0.00 0.00 174.62 172.86 2ctt n GLY 62 N 4.75 0.28 0.00 6.08 0.00 -1.26 -2.92 105.19 112.11 2ctt n GLY 62 Ca -0.07 -0.89 0.06 0.00 0.00 0.00 0.00 46.02 45.12 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 -4.44 1.61 -0.04 -1.26 -4.74 135.00 126.62 2ctt n PRO 63 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 2ctt n PRO 63 Cb 0.00 -1.38 -0.10 0.00 -0.04 0.00 0.00 33.50 31.98 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 1.87 -0.06 0.54 -0.12 -1.15 -5.17 117.98 111.90 2ctt s PHE 64 Ca 0.18 -1.05 -0.07 0.00 -0.05 0.00 0.00 56.93 55.94 2ctt s PHE 64 Cb 0.08 -1.21 0.02 0.00 -0.63 0.00 0.00 43.02 41.28 2ctt s PHE 64 CO 0.14 -0.09 0.18 0.54 -0.05 0.00 0.00 175.22 175.94 2ctt s VAL 65 N -3.35 0.01 0.46 -2.49 0.11 -1.26 -2.12 120.40 111.77 2ctt s VAL 65 Ca 0.34 -0.07 0.08 0.00 -2.93 0.00 0.00 61.98 59.41 2ctt s VAL 65 Cb 0.08 -0.28 0.03 0.00 -1.53 0.00 0.00 36.38 34.67 2ctt s VAL 65 CO 0.15 -0.04 0.60 -0.04 -3.33 0.00 0.00 175.10 172.44 2ctt s MET 66 N -0.05 2.63 -0.10 1.54 -1.94 -0.33 -4.93 119.30 116.11 2ctt s MET 66 Ca -0.02 -1.42 -0.03 0.00 -1.71 0.00 0.00 55.69 52.52 2ctt s MET 66 Cb -0.02 -2.65 0.04 0.00 2.01 0.00 0.00 34.83 34.21 2ctt s MET 66 CO 0.00 -0.43 0.06 1.03 -0.01 0.00 0.00 175.02 175.67 2ctt s ARG 67 N -4.40 0.17 0.02 2.03 1.81 -1.26 -2.13 118.95 115.19 2ctt s ARG 67 Ca 0.55 0.10 0.01 0.00 -1.72 0.00 0.00 55.73 54.67 2ctt s ARG 67 Cb -0.08 -1.18 -0.02 0.00 -0.45 0.00 0.00 34.95 33.23 2ctt s ARG 67 CO 0.33 -0.46 -0.04 0.45 -0.68 0.00 0.00 175.30 174.90 2ctt s SER 68 N 2.09 0.40 0.24 0.23 0.15 -1.02 -5.01 113.70 110.78 2ctt s SER 68 Ca 0.03 -0.45 -0.30 0.00 0.70 0.00 0.00 55.95 55.94 2ctt s SER 68 Cb -0.14 0.07 -0.15 0.00 -1.71 0.00 0.00 66.02 64.09 2ctt s SER 68 CO -0.06 -0.23 1.08 0.41 1.20 0.00 0.00 173.24 175.64 2ctt n THR 69 N 1.76 1.56 -0.82 6.45 -1.04 -1.26 -1.00 114.28 119.93 2ctt n THR 69 Ca -0.22 -0.39 -0.34 0.00 -2.04 0.00 0.00 64.05 61.07 2ctt n THR 69 Cb 0.56 -0.95 0.11 0.00 -1.82 0.00 0.00 70.33 68.22 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 -0.88 3.34 0.04 0.00 1.74 -1.26 -4.08 116.66 115.55 2ctt n ARG 71 Ca 0.04 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.99 2ctt n ARG 71 Cb 0.56 -0.96 -0.09 0.00 -1.02 0.00 0.00 32.46 30.95 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 -0.11 0.05 5.56 2.47 -1.99 -3.37 114.38 116.99 2ctt h ARG 72 Ca 0.00 0.01 -0.34 0.00 -1.26 0.00 0.00 59.98 58.39 2ctt h ARG 72 Cb 0.92 0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 29.23 2ctt h ARG 72 CO 0.00 0.27 -1.88 0.00 0.56 0.00 0.00 179.97 178.93 2ctt n GLY 74 N 1.72 1.82 1.72 0.00 0.00 -1.26 -4.59 105.19 104.60 2ctt n GLY 74 Ca -0.37 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.62 0.75 0.00 -0.02 0.00 -1.26 -4.90 105.19 99.15 2ctt n GLY 75 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.88 1.23 0.00 1.61 3.00 -1.26 -4.73 116.66 115.63 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 -0.93 0.00 0.00 0.00 0.00 0.00 32.46 32.04 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 3.00 0.61 3.39 5.14 0.00 -1.26 -4.65 105.19 111.41 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 -1.96 -0.11 -0.25 1.61 0.01 -1.26 -3.05 113.70 108.68 2ctt s SER 78 Ca 0.00 -0.60 -0.17 0.00 1.31 0.00 0.00 55.95 56.50 2ctt s SER 78 Cb 0.00 0.49 -0.03 0.00 0.21 0.00 0.00 66.02 66.68 2ctt s SER 78 CO 0.00 -0.93 0.45 -0.63 0.41 0.00 0.00 173.24 172.54 2ctt s ILE 79 N -3.89 5.13 -0.63 1.44 1.09 0.76 -4.56 121.20 120.53 2ctt s ILE 79 Ca 0.10 0.74 -0.17 0.00 -1.10 0.00 0.00 60.65 60.23 2ctt s ILE 79 Cb 0.02 -3.77 0.14 0.00 -1.06 0.00 0.00 42.46 37.79 2ctt s ILE 79 CO -0.04 0.14 0.65 -0.63 -0.10 0.00 0.00 174.94 174.95 2ctt s ILE 80 N 2.06 5.15 0.36 2.92 1.01 -1.26 -1.28 121.20 130.16 2ctt s ILE 80 Ca 0.19 -1.55 0.22 0.00 0.00 0.00 0.00 60.65 59.51 2ctt s ILE 80 Cb -0.16 -4.43 0.36 0.00 0.01 0.00 0.00 42.46 38.24 2ctt s ILE 80 CO 0.09 -1.01 1.48 -0.38 0.00 0.00 0.00 174.94 175.12 2ctt n ILE 81 N 5.09 -0.36 -3.69 2.92 2.08 -1.22 -4.11 119.36 120.08 2ctt n ILE 81 Ca -0.05 1.85 -0.13 0.00 0.56 0.00 0.00 62.75 64.98 2ctt n ILE 81 Cb 0.43 -3.02 -0.13 0.00 -0.75 0.00 0.00 39.64 36.17 2ctt n ILE 81 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 2ctt s SER 82 N -4.49 0.15 0.34 4.38 0.15 -1.26 -5.08 113.70 107.90 2ctt s SER 82 Ca -0.08 0.55 -0.28 0.00 0.70 0.00 0.00 55.95 56.84 2ctt s SER 82 Cb 0.31 0.56 -0.09 0.00 -1.71 0.00 0.00 66.02 65.09 2ctt s SER 82 CO 0.74 -0.21 1.21 -2.16 1.20 0.00 0.00 173.24 174.02 2ctt s PRO 83 N 1.98 4.31 0.99 5.44 0.04 -1.26 -2.83 135.00 143.68 2ctt s PRO 83 Ca -0.03 2.00 -0.17 0.00 0.04 0.00 0.00 61.00 62.84 2ctt s PRO 83 Cb -0.11 -2.96 -0.12 0.00 0.04 0.00 0.00 34.50 31.34 2ctt s PRO 83 CO -0.08 -0.15 -0.66 0.00 0.04 0.00 0.00 177.00 176.15 2ctt n VAL 85 N -2.69 0.00 -0.12 0.00 0.24 -1.26 -3.53 118.33 110.98 2ctt n VAL 85 Ca -0.01 -0.41 -0.21 0.00 -2.04 0.00 0.00 64.34 61.66 2ctt n VAL 85 Cb 0.56 1.14 -0.07 0.00 -1.47 0.00 0.00 33.84 34.00 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 -0.09 1.52 0.49 3.34 0.31 -1.26 -4.67 118.33 117.96 2ctt n VAL 86 Ca 0.05 -0.16 0.09 0.00 -0.01 0.00 0.00 64.34 64.30 2ctt n VAL 86 Cb 0.22 -2.07 -0.12 0.00 -0.91 0.00 0.00 33.84 30.97 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 -1.71 -5.43 -3.25 0.00 5.12 -1.23 -3.13 116.66 107.03 2ctt n ARG 88 Ca 0.01 0.67 -0.17 0.00 -1.93 0.00 0.00 57.85 56.43 2ctt n ARG 88 Cb 0.35 -5.15 0.06 0.00 -1.16 0.00 0.00 32.46 26.56 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 -1.22 -0.13 0.09 -0.13 0.00 -1.26 -4.82 105.19 97.72 2ctt n GLY 89 Ca -0.18 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.15 1.59 0.00 4.61 0.00 -1.18 -4.91 120.51 116.47 2ctt n ALA 90 Ca -0.03 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.43 2ctt n ALA 90 Cb 0.56 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 2.23 2.51 3.13 0.00 0.00 -1.26 -5.02 105.19 106.78 2ctt n GLY 91 Ca -0.30 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.86 0.44 0.28 1.61 -0.21 -1.26 -2.82 119.66 116.84 2ctt s GLN 92 Ca 0.00 -0.13 -0.01 0.00 0.02 0.00 0.00 55.36 55.24 2ctt s GLN 92 Cb 0.00 0.19 -0.02 0.00 1.00 0.00 0.00 33.01 34.18 2ctt s GLN 92 CO 0.00 -0.10 0.32 0.00 -2.12 0.00 0.00 175.29 173.39 2ctt s ALA 93 N -0.89 1.03 -0.39 6.09 0.00 0.57 -4.75 121.76 123.43 2ctt s ALA 93 Ca -0.10 -1.63 -0.29 0.00 0.00 0.00 0.00 51.96 49.95 2ctt s ALA 93 Cb -0.05 1.30 0.01 0.00 0.00 0.00 0.00 23.12 24.38 2ctt s ALA 93 CO 0.02 -0.71 1.40 -1.59 0.00 0.00 0.00 175.76 174.88 2ctt s LYS 94 N -3.63 3.63 0.44 0.00 -2.85 -1.26 -1.21 119.74 114.87 2ctt s LYS 94 Ca 0.35 1.01 0.08 0.00 -1.00 0.00 0.00 55.97 56.41 2ctt s LYS 94 Cb 0.03 -4.00 -0.00 0.00 -2.06 0.00 0.00 37.83 31.79 2ctt s LYS 94 CO 0.18 -1.49 0.46 -0.65 0.10 0.00 0.00 175.35 173.95 2ctt s GLN 95 N 4.81 2.55 -0.77 1.78 -1.52 -1.25 -4.96 119.66 120.30 2ctt s GLN 95 Ca 0.61 -1.53 -0.02 0.00 -1.95 0.00 0.00 55.36 52.48 2ctt s GLN 95 Cb -0.15 -2.45 0.39 0.00 -0.22 0.00 0.00 33.01 30.58 2ctt s GLN 95 CO 0.31 -0.30 1.99 0.36 -0.25 0.00 0.00 175.29 177.39 2ctt n LYS 96 N -1.69 2.77 -4.40 2.91 2.85 -1.26 -4.84 118.16 114.50 2ctt n LYS 96 Ca 0.05 -3.49 -0.31 0.00 -1.05 0.00 0.00 58.31 53.51 2ctt n LYS 96 Cb 0.61 -2.28 -0.11 0.00 -0.65 0.00 0.00 35.03 32.61 2ctt n LYS 96 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 2ctt s LYS 97 N -3.97 2.20 -0.60 -1.58 2.47 -1.26 -5.09 119.74 111.91 2ctt s LYS 97 Ca 0.56 -0.95 -0.17 0.00 -1.56 0.00 0.00 55.97 53.85 2ctt s LYS 97 Cb 0.46 -2.32 0.12 0.00 -1.46 0.00 0.00 37.83 34.64 2ctt s LYS 97 CO -0.27 0.54 0.63 0.50 0.16 0.00 0.00 175.35 176.91 2ctt s ARG 98 N -1.81 3.08 1.39 4.03 3.52 -1.26 -4.95 118.95 122.95 2ctt s ARG 98 Ca 0.18 -1.58 -0.22 0.00 -0.13 0.00 0.00 55.73 53.98 2ctt s ARG 98 Cb -0.11 -4.31 0.36 0.00 -1.56 0.00 0.00 34.95 29.33 2ctt s ARG 98 CO 0.10 -1.44 0.94 -1.12 -0.81 0.00 0.00 175.30 172.97 2ctt s SER 99 N 3.51 -0.83 0.00 -2.12 0.01 -1.26 -5.01 113.70 108.01 2ctt s SER 99 Ca 0.09 0.92 0.00 0.00 1.31 0.00 0.00 55.95 58.26 2ctt s SER 99 Cb -0.25 -1.32 0.00 0.00 0.21 0.00 0.00 66.02 64.66 2ctt s SER 99 CO 0.03 -5.23 0.00 0.61 0.41 0.00 0.00 173.24 169.07 2ctt n GLY 100 N 1.26 3.76 0.22 3.44 0.00 -1.26 -4.89 105.19 107.72 2ctt n GLY 100 Ca 0.12 -1.74 0.10 0.00 0.00 0.00 0.00 46.02 44.49 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 0.00 0.00 -5.50 1.61 0.13 -2.09 -3.40 132.00 122.75 2ctt h PRO 101 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.91 2ctt h PRO 101 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 2ctt h PRO 101 CO 0.00 0.23 0.63 0.45 -0.23 0.00 0.00 178.00 179.09 2ctt s SER 102 N -6.25 4.68 0.10 1.44 0.15 -1.26 -4.44 113.70 108.12 2ctt s SER 102 Ca -0.00 -0.90 0.00 0.00 0.70 0.00 0.00 55.95 55.74 2ctt s SER 102 Cb 0.11 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 2ctt s SER 102 CO 0.64 -3.30 0.00 -0.24 1.20 0.00 0.00 173.24 171.54 2ctt n SER 103 N 15.61 0.84 0.00 5.45 2.88 -1.26 -5.10 113.62 132.04 2ctt n SER 103 Ca 0.43 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.12 2ctt n SER 103 Cb 0.46 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 2ctt n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42