#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 0.22 0.13 1.61 0.01 -1.26 -5.08 113.70 109.34 2ctt s SER 2 Ca 0.00 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.65 2ctt s SER 2 Cb 0.00 0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.46 2ctt s SER 2 CO 0.00 -0.53 0.00 -1.20 0.41 0.00 0.00 173.24 171.92 2ctt n SER 3 N 0.64 0.61 -0.82 2.44 7.64 -1.26 -5.16 113.62 117.71 2ctt n SER 3 Ca -0.18 0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2ctt n SER 3 Cb 0.59 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 2ctt n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ctt n GLY 4 N 2.85 -3.64 3.81 0.23 0.00 -1.26 -5.11 105.19 102.07 2ctt n GLY 4 Ca 0.00 -1.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.53 -0.04 0.28 1.61 1.04 -1.26 -5.19 113.70 106.60 2ctt s SER 5 Ca 0.00 -0.35 0.02 0.00 0.48 0.00 0.00 55.95 56.11 2ctt s SER 5 Cb 0.00 0.30 -0.03 0.00 0.10 0.00 0.00 66.02 66.39 2ctt s SER 5 CO 0.00 -0.59 0.25 -0.94 0.98 0.00 0.00 173.24 172.94 2ctt s SER 6 N -3.32 0.93 0.00 7.02 1.04 -1.26 -5.18 113.70 112.93 2ctt s SER 6 Ca 0.20 -1.56 0.00 0.00 0.48 0.00 0.00 55.95 55.08 2ctt s SER 6 Cb 0.00 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2ctt s SER 6 CO 0.01 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.84 2ctt n GLY 7 N -0.47 2.82 3.22 7.32 0.00 -1.26 -5.18 105.19 111.65 2ctt n GLY 7 Ca 0.04 -1.24 -0.20 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.81 0.97 0.51 1.61 -2.45 -1.26 -5.16 119.30 111.71 2ctt s MET 8 Ca 0.00 -1.09 0.08 0.00 -1.25 0.00 0.00 55.69 53.42 2ctt s MET 8 Cb 0.00 -1.02 0.05 0.00 1.25 0.00 0.00 34.83 35.11 2ctt s MET 8 CO 0.00 0.22 0.71 -1.83 1.05 0.00 0.00 175.02 175.17 2ctt s GLU 9 N -2.04 2.51 0.33 4.11 1.03 -1.26 -5.14 118.70 118.25 2ctt s GLU 9 Ca 0.03 -1.38 -0.18 0.00 0.03 0.00 0.00 54.97 53.48 2ctt s GLU 9 Cb -0.09 -2.67 0.03 0.00 -0.80 0.00 0.00 34.13 30.61 2ctt s GLU 9 CO 0.03 -0.63 0.73 -0.48 -1.33 0.00 0.00 175.26 173.58 2ctt s LEU 10 N -4.56 -0.07 0.13 1.83 2.34 -1.26 -5.18 118.68 111.91 2ctt s LEU 10 Ca 0.59 -0.89 0.07 0.00 0.06 0.00 0.00 54.13 53.96 2ctt s LEU 10 Cb -0.08 2.68 -0.04 0.00 -0.56 0.00 0.00 46.19 48.20 2ctt s LEU 10 CO 0.37 -1.48 -0.07 0.42 -1.06 0.00 0.00 176.35 174.53 2ctt s THR 11 N -3.21 3.50 -0.10 5.48 -4.23 -1.26 -5.13 115.64 110.70 2ctt s THR 11 Ca 0.14 -1.31 -0.30 0.00 -1.18 0.00 0.00 61.69 59.04 2ctt s THR 11 Cb -0.05 -2.68 0.11 0.00 1.34 0.00 0.00 72.50 71.22 2ctt s THR 11 CO 0.09 0.04 0.89 0.12 -0.54 0.00 0.00 174.62 175.23 2ctt s PHE 12 N -1.39 -0.44 0.02 3.99 5.36 -1.26 -5.18 117.98 119.08 2ctt s PHE 12 Ca 0.24 0.66 -0.05 0.00 -0.96 0.00 0.00 56.93 56.82 2ctt s PHE 12 Cb -0.11 0.46 -0.01 0.00 -0.34 0.00 0.00 43.02 43.03 2ctt s PHE 12 CO 0.15 -0.46 0.08 1.21 -1.46 0.00 0.00 175.22 174.75 2ctt s ASN 13 N -1.43 0.12 0.35 6.13 3.84 -1.26 -5.17 114.94 117.52 2ctt s ASN 13 Ca -0.03 -0.36 -0.15 0.00 0.21 0.00 0.00 52.86 52.53 2ctt s ASN 13 Cb -0.00 0.18 0.04 0.00 -0.55 0.00 0.00 41.25 40.91 2ctt s ASN 13 CO 0.01 -0.38 0.71 0.00 -2.79 0.00 0.00 177.10 174.65 2ctt s GLN 14 N -1.68 2.05 0.35 0.43 -2.07 -1.26 -5.19 119.66 112.29 2ctt s GLN 14 Ca -0.13 -1.38 0.04 0.00 -1.82 0.00 0.00 55.36 52.07 2ctt s GLN 14 Cb -0.07 0.59 -0.06 0.00 -1.09 0.00 0.00 33.01 32.38 2ctt s GLN 14 CO -0.00 -0.94 0.06 0.00 -1.32 0.00 0.00 175.29 173.09 2ctt s ALA 15 N -2.86 2.55 -1.14 2.60 0.00 -1.26 -5.08 121.76 116.58 2ctt s ALA 15 Ca 0.17 -1.96 -0.10 0.00 0.00 0.00 0.00 51.96 50.07 2ctt s ALA 15 Cb -0.04 0.60 0.26 0.00 0.00 0.00 0.00 23.12 23.93 2ctt s ALA 15 CO 0.12 -0.28 1.19 0.00 0.00 0.00 0.00 175.76 176.79 2ctt n ALA 16 N -0.76 4.21 -2.42 0.00 0.00 -1.26 -5.00 120.51 115.28 2ctt n ALA 16 Ca -0.03 -4.60 -0.22 0.00 0.00 0.00 0.00 53.44 48.59 2ctt n ALA 16 Cb 0.67 -2.57 -0.10 0.00 0.00 0.00 0.00 19.45 17.44 2ctt n ALA 16 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2ctt s LYS 17 N -0.82 1.46 0.00 0.00 1.02 -1.26 -5.12 119.74 115.02 2ctt s LYS 17 Ca 0.33 -1.61 0.00 0.00 0.02 0.00 0.00 55.97 54.72 2ctt s LYS 17 Cb -0.08 -1.48 0.00 0.00 -0.52 0.00 0.00 37.83 35.75 2ctt s LYS 17 CO -0.06 0.28 0.00 0.41 -0.92 0.00 0.00 175.35 175.06 2ctt n GLY 18 N -0.24 2.62 3.76 -3.33 0.00 -1.26 -5.16 105.19 101.57 2ctt n GLY 18 Ca -0.09 0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 2.06 0.14 1.61 -7.23 -1.26 -5.07 120.40 110.65 2ctt s VAL 19 Ca 0.00 0.02 0.07 0.00 -1.81 0.00 0.00 61.98 60.26 2ctt s VAL 19 Cb 0.00 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 2ctt s VAL 19 CO 0.00 -0.03 -0.02 0.20 -0.31 0.00 0.00 175.10 174.95 2ctt s ASN 20 N -3.90 4.78 -0.49 4.85 0.01 -1.26 -5.09 114.94 113.85 2ctt s ASN 20 Ca 0.64 -0.33 0.04 0.00 -0.71 0.00 0.00 52.86 52.50 2ctt s ASN 20 Cb -0.16 -1.04 0.17 0.00 0.41 0.00 0.00 41.25 40.63 2ctt s ASN 20 CO 0.54 0.13 0.37 -0.54 -1.51 0.00 0.00 177.10 176.09 2ctt s LYS 21 N -2.62 1.33 0.72 -0.60 1.02 -1.26 -5.12 119.74 113.20 2ctt s LYS 21 Ca 0.26 -2.39 -0.07 0.00 0.02 0.00 0.00 55.97 53.79 2ctt s LYS 21 Cb -0.10 -2.02 0.07 0.00 -0.52 0.00 0.00 37.83 35.26 2ctt s LYS 21 CO 0.18 -1.33 1.03 -1.21 -0.92 0.00 0.00 175.35 173.09 2ctt s GLU 22 N -0.26 2.11 -0.02 1.68 2.02 -1.26 -5.04 118.70 117.93 2ctt s GLU 22 Ca 0.29 -0.28 -0.18 0.00 0.02 0.00 0.00 54.97 54.82 2ctt s GLU 22 Cb -0.02 -2.16 -0.10 0.00 0.10 0.00 0.00 34.13 31.95 2ctt s GLU 22 CO -0.16 -1.30 0.74 0.74 0.02 0.00 0.00 175.26 175.30 2ctt h PHE 23 N -0.65 -0.60 -3.36 1.61 0.04 -2.08 -3.39 116.94 108.52 2ctt h PHE 23 Ca -0.44 -0.01 -0.76 0.00 2.80 0.00 0.00 57.97 59.56 2ctt h PHE 23 Cb 1.31 0.20 -0.23 0.00 2.20 0.00 0.00 35.95 39.43 2ctt h PHE 23 CO 0.26 -0.37 0.36 0.99 -0.60 0.00 0.00 178.31 178.94 2ctt s THR 24 N -3.65 5.35 -0.21 -1.55 2.01 -1.26 -4.96 115.64 111.37 2ctt s THR 24 Ca -0.09 -2.24 -0.32 0.00 0.31 0.00 0.00 61.69 59.35 2ctt s THR 24 Cb 0.01 -4.58 0.15 0.00 0.01 0.00 0.00 72.50 68.10 2ctt s THR 24 CO 0.28 -1.19 1.20 0.54 -0.69 0.00 0.00 174.62 174.77 2ctt s VAL 25 N 0.90 0.00 -0.04 3.82 0.11 -1.26 -5.19 120.40 118.74 2ctt s VAL 25 Ca 0.23 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 59.03 2ctt s VAL 25 Cb -0.08 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.82 2ctt s VAL 25 CO -0.09 0.00 0.56 0.20 -3.33 0.00 0.00 175.10 172.44 2ctt s ASN 26 N -1.50 -0.51 -0.38 3.54 0.01 -1.26 -4.95 114.94 109.90 2ctt s ASN 26 Ca 0.06 0.51 -0.38 0.00 -0.71 0.00 0.00 52.86 52.35 2ctt s ASN 26 Cb -0.01 0.47 -0.13 0.00 0.41 0.00 0.00 41.25 41.98 2ctt s ASN 26 CO -0.04 -0.56 2.15 -0.38 -1.51 0.00 0.00 177.10 176.76 2ctt n ILE 27 N 1.03 0.15 -3.72 0.60 -0.00 -1.26 -4.91 119.36 111.25 2ctt n ILE 27 Ca -0.20 -0.19 -0.28 0.00 -0.00 0.00 0.00 62.75 62.09 2ctt n ILE 27 Cb 0.57 -1.35 -0.16 0.00 -0.00 0.00 0.00 39.64 38.69 2ctt n ILE 27 CO 0.00 0.00 0.00 -0.04 -0.00 0.00 0.00 176.55 176.51 2ctt s MET 28 N 6.00 0.59 0.20 0.38 -1.94 -1.26 -4.28 119.30 118.99 2ctt s MET 28 Ca 1.11 -0.42 0.00 0.00 -1.71 0.00 0.00 55.69 54.68 2ctt s MET 28 Cb -1.02 -2.07 -0.05 0.00 2.01 0.00 0.00 34.83 33.70 2ctt s MET 28 CO 0.54 -0.66 0.07 -0.51 -0.01 0.00 0.00 175.02 174.45 2ctt s ASP 29 N 1.88 0.81 0.21 3.03 1.11 -0.56 -4.96 116.67 118.19 2ctt s ASP 29 Ca -0.00 -1.31 -0.32 0.00 0.18 0.00 0.00 52.55 51.10 2ctt s ASP 29 Cb -0.17 0.22 -0.13 0.00 1.07 0.00 0.00 42.92 43.91 2ctt s ASP 29 CO -0.09 -0.72 1.56 0.41 1.18 0.00 0.00 175.17 177.52 2ctt n THR 30 N -0.31 0.37 -1.30 -1.27 -1.04 -1.26 -0.19 114.28 109.28 2ctt n THR 30 Ca -0.02 -0.09 -0.37 0.00 -2.04 0.00 0.00 64.05 61.53 2ctt n THR 30 Cb 0.65 -1.65 0.05 0.00 -1.82 0.00 0.00 70.33 67.56 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 0.04 1.45 0.15 0.00 0.28 -1.26 -3.11 120.64 118.19 2ctt n GLU 32 Ca 0.09 -0.02 -0.13 0.00 -0.16 0.00 0.00 57.16 56.95 2ctt n GLU 32 Cb 0.49 -1.39 -0.08 0.00 1.43 0.00 0.00 31.44 31.89 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 -0.41 0.00 3.44 2.43 -1.96 -3.29 114.38 114.59 2ctt h ARG 33 Ca -0.39 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 2ctt h ARG 33 Cb 1.88 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.52 2ctt h ARG 33 CO 0.02 -0.08 -0.71 0.00 -1.51 0.00 0.00 179.97 177.70 2ctt n ASN 35 N -1.58 -5.68 -1.12 0.00 3.02 -1.18 -2.26 115.26 106.46 2ctt n ASN 35 Ca 0.05 -0.46 -0.10 0.00 -0.03 0.00 0.00 54.58 54.03 2ctt n ASN 35 Cb 0.35 -4.39 -0.01 0.00 -0.61 0.00 0.00 39.78 35.12 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 -1.78 0.09 0.15 7.41 0.00 -1.21 -4.89 105.19 104.96 2ctt n GLY 36 Ca 0.00 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.06 0.60 0.00 1.61 4.76 -0.96 -4.82 118.16 117.30 2ctt n LYS 37 Ca -0.12 0.22 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 2ctt n LYS 37 Cb 0.56 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 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 1.60 1.20 3.10 0.72 0.00 -1.26 -4.88 105.19 105.67 2ctt n GLY 38 Ca -0.51 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.43 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 0.63 0.37 1.61 4.22 -1.26 -3.07 114.94 115.44 2ctt s ASN 39 Ca 0.00 -0.94 -0.28 0.00 -2.14 0.00 0.00 52.86 49.50 2ctt s ASN 39 Cb 0.00 0.16 -0.10 0.00 1.28 0.00 0.00 41.25 42.59 2ctt s ASN 39 CO 0.00 -0.53 1.40 -1.61 -2.04 0.00 0.00 177.10 174.32 2ctt s GLU 40 N -3.59 4.13 0.00 3.55 0.41 -1.14 -4.19 118.70 117.87 2ctt s GLU 40 Ca 0.05 2.39 0.00 0.00 -0.41 0.00 0.00 54.97 57.00 2ctt s GLU 40 Cb 0.05 -2.94 0.00 0.00 -1.78 0.00 0.00 34.13 29.46 2ctt s GLU 40 CO -0.08 -0.44 0.38 -0.35 -0.49 0.00 0.00 175.26 174.28 2ctt n PRO 41 N 0.46 0.49 -2.68 0.39 -0.04 -1.26 -2.91 135.00 129.45 2ctt n PRO 41 Ca 0.01 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.45 2ctt n PRO 41 Cb 0.41 -1.11 0.12 0.00 -0.04 0.00 0.00 33.50 32.88 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 0.11 1.93 1.67 0.55 0.00 -1.26 -5.12 105.19 103.06 2ctt n GLY 42 Ca 0.00 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.36 0.00 -4.37 2.61 -2.24 -1.15 -5.16 114.28 102.61 2ctt n THR 43 Ca -0.14 -1.18 -0.26 0.00 -2.27 0.00 0.00 64.05 60.20 2ctt n THR 43 Cb 0.87 0.41 -0.10 0.00 -2.10 0.00 0.00 70.33 69.41 2ctt n THR 43 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2ctt s LYS 44 N -2.78 1.79 0.01 -0.78 -2.85 -1.26 -4.99 119.74 108.88 2ctt s LYS 44 Ca 0.10 -1.46 -0.09 0.00 -1.00 0.00 0.00 55.97 53.51 2ctt s LYS 44 Cb 0.00 -1.97 0.00 0.00 -2.06 0.00 0.00 37.83 33.81 2ctt s LYS 44 CO 0.07 0.40 0.17 0.54 0.10 0.00 0.00 175.35 176.63 2ctt s VAL 45 N -1.85 0.09 0.28 1.79 0.11 -1.26 -2.82 120.40 116.74 2ctt s VAL 45 Ca 0.24 -0.74 0.08 0.00 -2.93 0.00 0.00 61.98 58.63 2ctt s VAL 45 Cb -0.08 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.12 2ctt s VAL 45 CO 0.13 -0.41 0.12 -1.10 -3.33 0.00 0.00 175.10 170.51 2ctt s GLN 46 N -1.76 2.56 -0.30 1.54 -0.21 -0.06 -4.95 119.66 116.48 2ctt s GLN 46 Ca -0.12 -1.31 -0.22 0.00 0.02 0.00 0.00 55.36 53.74 2ctt s GLN 46 Cb -0.05 -2.33 -0.00 0.00 1.00 0.00 0.00 33.01 31.62 2ctt s GLN 46 CO 0.00 0.30 0.71 -1.58 -2.12 0.00 0.00 175.29 172.61 2ctt s HIS 47 N -2.28 3.21 0.08 0.91 5.65 -1.26 -0.71 115.29 120.90 2ctt s HIS 47 Ca 0.34 0.72 -0.31 0.00 0.25 0.00 0.00 55.06 56.06 2ctt s HIS 47 Cb -0.06 -3.10 -0.07 0.00 -1.18 0.00 0.00 32.58 28.17 2ctt s HIS 47 CO 0.23 -0.51 1.36 0.00 -0.65 0.00 0.00 174.74 175.17 2ctt h HIS 49 N 7.07 0.53 -0.67 0.00 3.86 -1.94 -2.00 115.15 121.99 2ctt h HIS 49 Ca -0.41 -0.39 0.06 0.00 -1.16 0.00 0.00 60.37 58.47 2ctt h HIS 49 Cb 1.20 -0.02 -0.08 0.00 1.06 0.00 0.00 27.41 29.57 2ctt h HIS 49 CO 0.68 1.70 -0.40 0.66 0.86 0.00 0.00 177.93 181.43 2ctt n TYR 50 N -3.66 -0.30 -0.03 2.45 4.02 -1.26 -2.54 117.16 115.84 2ctt n TYR 50 Ca -0.28 0.84 -0.18 0.00 -0.01 0.00 0.00 57.90 58.27 2ctt n TYR 50 Cb 1.01 -0.54 -0.14 0.00 -0.02 0.00 0.00 39.34 39.65 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 1.97 0.67 0.01 0.00 0.00 -0.75 -4.22 105.19 102.87 2ctt n GLY 52 Ca -0.33 -0.53 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 -2.55 1.67 0.00 -0.02 0.00 -1.18 -4.96 105.19 98.15 2ctt n GLY 53 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.01 2.73 -0.00 1.61 3.41 -1.26 -4.81 113.62 115.30 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 0.00 0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 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 1.78 0.76 2.79 5.00 0.00 -1.26 -4.81 105.19 109.44 2ctt n GLY 55 Ca 0.00 -0.67 -0.20 0.00 0.00 0.00 0.00 46.02 45.15 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 -3.28 0.40 0.09 1.61 -2.45 -1.26 -3.65 119.30 110.76 2ctt s MET 56 Ca 0.00 0.11 -0.02 0.00 -1.25 0.00 0.00 55.69 54.53 2ctt s MET 56 Cb 0.00 -0.68 -0.05 0.00 1.25 0.00 0.00 34.83 35.36 2ctt s MET 56 CO 0.00 -0.21 0.28 -2.00 1.05 0.00 0.00 175.02 174.14 2ctt s GLU 57 N 1.47 3.52 -0.19 4.11 2.56 -0.13 -4.00 118.70 126.05 2ctt s GLU 57 Ca -0.03 -0.28 -0.03 0.00 0.00 0.00 0.00 54.97 54.63 2ctt s GLU 57 Cb -0.13 -2.96 -0.02 0.00 2.00 0.00 0.00 34.13 33.02 2ctt s GLU 57 CO -0.03 0.55 -0.05 0.99 -0.56 0.00 0.00 175.26 176.16 2ctt s THR 58 N -1.57 3.50 -0.55 -1.70 2.01 -1.26 -2.46 115.64 113.61 2ctt s THR 58 Ca 0.37 -0.47 -0.07 0.00 0.31 0.00 0.00 61.69 61.83 2ctt s THR 58 Cb -0.13 -2.56 0.14 0.00 0.01 0.00 0.00 72.50 69.97 2ctt s THR 58 CO 0.26 0.46 0.41 -0.63 -0.69 0.00 0.00 174.62 174.42 2ctt s ILE 59 N 0.96 4.11 -0.68 1.82 1.09 0.14 -4.98 121.20 123.66 2ctt s ILE 59 Ca -0.00 -2.25 -0.27 0.00 -1.10 0.00 0.00 60.65 57.03 2ctt s ILE 59 Cb -0.15 -3.69 0.02 0.00 -1.06 0.00 0.00 42.46 37.59 2ctt s ILE 59 CO 0.01 -0.83 1.38 0.20 -0.10 0.00 0.00 174.94 175.60 2ctt s ASN 60 N 1.93 6.05 -0.22 3.58 -0.87 -1.26 -0.23 114.94 123.92 2ctt s ASN 60 Ca 0.11 -0.17 0.01 0.00 -1.57 0.00 0.00 52.86 51.24 2ctt s ASN 60 Cb -0.22 -2.55 0.05 0.00 -0.02 0.00 0.00 41.25 38.51 2ctt s ASN 60 CO -0.03 -1.86 -0.08 0.28 -2.57 0.00 0.00 177.10 172.83 2ctt s THR 61 N 6.20 1.64 0.00 1.60 -1.32 -0.67 -5.01 115.64 118.08 2ctt s THR 61 Ca 0.43 -1.15 0.00 0.00 -1.21 0.00 0.00 61.69 59.76 2ctt s THR 61 Cb -0.09 -1.80 0.00 0.00 -1.51 0.00 0.00 72.50 69.10 2ctt s THR 61 CO 0.18 0.03 0.00 0.61 -2.21 0.00 0.00 174.62 173.24 2ctt n GLY 62 N 4.66 1.02 0.00 6.08 0.00 -1.26 -2.15 105.19 113.54 2ctt n GLY 62 Ca -0.13 -0.63 0.05 0.00 0.00 0.00 0.00 46.02 45.31 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 -4.47 1.61 -0.04 -1.26 -4.74 135.00 126.59 2ctt n PRO 63 Ca 0.00 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.23 2ctt n PRO 63 Cb 0.00 -1.33 -0.09 0.00 -0.04 0.00 0.00 33.50 32.04 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 1.83 -0.07 0.54 -0.12 -0.91 -5.17 117.98 112.09 2ctt s PHE 64 Ca 0.15 -1.14 -0.05 0.00 -0.05 0.00 0.00 56.93 55.85 2ctt s PHE 64 Cb 0.07 -1.19 0.03 0.00 -0.63 0.00 0.00 43.02 41.30 2ctt s PHE 64 CO 0.12 -0.17 0.17 0.54 -0.05 0.00 0.00 175.22 175.82 2ctt s VAL 65 N -3.29 -0.02 0.11 -2.49 0.11 -1.26 -1.67 120.40 111.89 2ctt s VAL 65 Ca 0.30 0.08 0.03 0.00 -2.93 0.00 0.00 61.98 59.45 2ctt s VAL 65 Cb 0.05 -0.25 -0.04 0.00 -1.53 0.00 0.00 36.38 34.61 2ctt s VAL 65 CO 0.15 0.03 0.15 -0.04 -3.33 0.00 0.00 175.10 172.06 2ctt s MET 66 N 0.59 3.09 -0.23 1.54 1.00 0.68 -4.92 119.30 121.05 2ctt s MET 66 Ca -0.04 -0.67 0.02 0.00 0.00 0.00 0.00 55.69 55.00 2ctt s MET 66 Cb -0.06 -2.81 0.04 0.00 0.00 0.00 0.00 34.83 32.01 2ctt s MET 66 CO -0.03 0.55 -0.14 1.03 0.00 0.00 0.00 175.02 176.42 2ctt s ARG 67 N -2.74 2.56 0.07 2.03 3.00 -1.26 0.25 118.95 122.86 2ctt s ARG 67 Ca 0.32 -1.13 0.05 0.00 0.00 0.00 0.00 55.73 54.97 2ctt s ARG 67 Cb -0.12 -2.76 -0.03 0.00 0.00 0.00 0.00 34.95 32.04 2ctt s ARG 67 CO 0.25 -0.42 -0.14 0.45 0.00 0.00 0.00 175.30 175.43 2ctt s SER 68 N 1.18 1.70 0.20 0.23 0.15 -1.03 -4.98 113.70 111.14 2ctt s SER 68 Ca -0.03 -0.63 -0.31 0.00 0.70 0.00 0.00 55.95 55.67 2ctt s SER 68 Cb -0.17 -0.05 -0.15 0.00 -1.71 0.00 0.00 66.02 63.93 2ctt s SER 68 CO -0.08 -0.08 1.09 0.41 1.20 0.00 0.00 173.24 175.77 2ctt n THR 69 N 1.23 1.20 -1.32 6.45 -1.04 -1.26 -0.96 114.28 118.58 2ctt n THR 69 Ca -0.21 -0.30 -0.36 0.00 -2.04 0.00 0.00 64.05 61.14 2ctt n THR 69 Cb 0.54 -0.81 0.07 0.00 -1.82 0.00 0.00 70.33 68.31 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 -1.05 2.84 -0.07 0.00 1.85 -1.26 -3.51 116.66 115.46 2ctt n ARG 71 Ca 0.11 -0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.85 2ctt n ARG 71 Cb 0.49 -1.17 -0.05 0.00 -1.05 0.00 0.00 32.46 30.68 2ctt n ARG 71 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2ctt h ARG 72 N 0.00 0.36 0.00 2.89 2.47 -2.01 -3.35 114.38 114.73 2ctt h ARG 72 Ca -0.18 -0.10 -0.40 0.00 -1.26 0.00 0.00 59.98 58.04 2ctt h ARG 72 Cb 1.42 -0.04 -0.07 0.00 -1.65 0.00 0.00 29.97 29.63 2ctt h ARG 72 CO 0.01 0.52 -2.48 0.00 0.56 0.00 0.00 179.97 178.58 2ctt n GLY 74 N 2.12 1.28 2.01 0.00 0.00 -1.23 -4.50 105.19 104.87 2ctt n GLY 74 Ca -0.47 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.38 0.56 0.00 -0.02 0.00 -1.25 -4.91 105.19 99.18 2ctt n GLY 75 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.65 0.13 0.00 1.61 3.00 -1.26 -4.79 116.66 113.69 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 0.52 -1.00 0.00 0.00 0.00 0.00 0.00 32.46 31.98 2ctt n ARG 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2ctt n GLY 77 N 3.47 0.57 3.47 5.14 0.00 -1.26 -4.72 105.19 111.86 2ctt n GLY 77 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.99 -0.61 -0.59 1.61 0.01 -1.26 -3.09 113.70 107.77 2ctt s SER 78 Ca 0.00 0.36 -0.20 0.00 1.31 0.00 0.00 55.95 57.42 2ctt s SER 78 Cb 0.00 0.57 0.09 0.00 0.21 0.00 0.00 66.02 66.89 2ctt s SER 78 CO 0.00 -0.79 0.75 -0.63 0.41 0.00 0.00 173.24 172.97 2ctt s ILE 79 N -2.48 4.73 -0.93 1.44 1.09 0.12 -4.76 121.20 120.40 2ctt s ILE 79 Ca -0.05 -0.80 -0.24 0.00 -1.10 0.00 0.00 60.65 58.46 2ctt s ILE 79 Cb -0.01 -4.50 0.05 0.00 -1.06 0.00 0.00 42.46 36.94 2ctt s ILE 79 CO -0.02 -1.15 1.37 -0.63 -0.10 0.00 0.00 174.94 174.41 2ctt s ILE 80 N 2.95 3.95 0.47 2.92 1.01 -1.26 -0.88 121.20 130.35 2ctt s ILE 80 Ca 0.14 -0.53 0.34 0.00 0.00 0.00 0.00 60.65 60.60 2ctt s ILE 80 Cb -0.22 -4.99 0.54 0.00 0.01 0.00 0.00 42.46 37.80 2ctt s ILE 80 CO 0.08 -1.87 1.62 0.40 0.00 0.00 0.00 174.94 175.16 2ctt h ILE 81 N 6.51 0.10 -3.03 2.92 5.03 -1.90 -3.21 117.51 123.93 2ctt h ILE 81 Ca 0.07 -0.02 -0.57 0.00 -0.12 0.00 0.00 64.86 64.22 2ctt h ILE 81 Cb 1.02 0.04 -0.40 0.00 -3.03 0.00 0.00 36.82 34.45 2ctt h ILE 81 CO 1.36 0.01 -0.76 -0.44 -0.68 0.00 0.00 178.15 177.64 2ctt s SER 82 N -4.39 3.86 0.49 1.72 0.01 -1.26 -5.06 113.70 109.08 2ctt s SER 82 Ca -0.07 -1.57 -0.22 0.00 1.31 0.00 0.00 55.95 55.40 2ctt s SER 82 Cb 0.29 -0.71 -0.07 0.00 0.21 0.00 0.00 66.02 65.74 2ctt s SER 82 CO 0.84 -0.42 1.15 -2.16 0.41 0.00 0.00 173.24 173.06 2ctt s PRO 83 N 1.72 3.62 0.62 12.44 0.04 -1.22 -2.89 135.00 149.32 2ctt s PRO 83 Ca 0.10 1.72 -0.18 0.00 0.04 0.00 0.00 61.00 62.68 2ctt s PRO 83 Cb -0.17 -2.26 -0.10 0.00 0.04 0.00 0.00 34.50 32.00 2ctt s PRO 83 CO -0.28 -0.66 0.17 0.00 0.04 0.00 0.00 177.00 176.28 2ctt n VAL 85 N -1.85 0.52 -0.09 0.00 0.24 -1.26 -3.20 118.33 112.68 2ctt n VAL 85 Ca 0.09 -0.76 -0.17 0.00 -2.04 0.00 0.00 64.34 61.46 2ctt n VAL 85 Cb 0.49 0.87 -0.08 0.00 -1.47 0.00 0.00 33.84 33.65 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 0.74 1.06 0.17 3.34 0.31 -1.26 -4.73 118.33 117.96 2ctt n VAL 86 Ca 0.11 -0.34 0.05 0.00 -0.01 0.00 0.00 64.34 64.15 2ctt n VAL 86 Cb 0.40 -1.46 -0.07 0.00 -0.91 0.00 0.00 33.84 31.81 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 -1.60 -4.28 -3.42 0.00 5.12 -1.20 -3.36 116.66 107.93 2ctt n ARG 88 Ca -0.00 0.54 -0.20 0.00 -1.93 0.00 0.00 57.85 56.26 2ctt n ARG 88 Cb 0.21 -4.65 0.07 0.00 -1.16 0.00 0.00 32.46 26.94 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 -1.11 -0.34 0.08 -0.13 0.00 -1.26 -4.88 105.19 97.56 2ctt n GLY 89 Ca -0.17 0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 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 -4.50 1.66 0.00 4.61 0.00 -1.21 -4.91 120.51 116.15 2ctt n ALA 90 Ca -0.05 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.65 2ctt n ALA 90 Cb 0.57 0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.11 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 2.58 2.76 3.30 0.00 0.00 -1.26 -4.98 105.19 107.59 2ctt n GLY 91 Ca -0.27 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.93 1.21 0.09 1.61 -0.21 -1.26 -2.17 119.66 118.00 2ctt s GLN 92 Ca 0.00 -1.50 -0.27 0.00 0.02 0.00 0.00 55.36 53.61 2ctt s GLN 92 Cb 0.00 -0.94 0.08 0.00 1.00 0.00 0.00 33.01 33.15 2ctt s GLN 92 CO 0.00 0.15 1.04 0.00 -2.12 0.00 0.00 175.29 174.36 2ctt s ALA 93 N -2.96 -1.81 -0.55 6.09 0.00 0.73 -4.57 121.76 118.69 2ctt s ALA 93 Ca 0.19 0.35 -0.28 0.00 0.00 0.00 0.00 51.96 52.22 2ctt s ALA 93 Cb -0.00 0.54 0.01 0.00 0.00 0.00 0.00 23.12 23.67 2ctt s ALA 93 CO 0.04 -1.01 1.47 0.21 0.00 0.00 0.00 175.76 176.47 2ctt s LYS 94 N -3.05 3.25 -0.57 0.00 2.20 -1.26 -1.49 119.74 118.82 2ctt s LYS 94 Ca 0.12 0.53 -0.01 0.00 -0.36 0.00 0.00 55.97 56.25 2ctt s LYS 94 Cb 0.00 -4.15 0.15 0.00 -1.51 0.00 0.00 37.83 32.32 2ctt s LYS 94 CO -0.00 -1.99 0.37 -0.65 -0.36 0.00 0.00 175.35 172.72 2ctt s GLN 95 N 5.63 2.36 0.28 4.03 1.11 -1.26 -4.96 119.66 126.84 2ctt s GLN 95 Ca 0.55 -2.45 -0.02 0.00 0.01 0.00 0.00 55.36 53.46 2ctt s GLN 95 Cb -0.12 -3.62 0.60 0.00 -1.01 0.00 0.00 33.01 28.86 2ctt s GLN 95 CO 0.25 -1.14 1.44 1.63 0.01 0.00 0.00 175.29 177.48 2ctt n LYS 96 N 3.56 -0.08 -4.30 2.91 4.01 -1.26 -4.18 118.16 118.82 2ctt n LYS 96 Ca 0.06 1.40 -0.35 0.00 -0.51 0.00 0.00 58.31 58.91 2ctt n LYS 96 Cb 0.37 -2.17 -0.09 0.00 -0.51 0.00 0.00 35.03 32.63 2ctt n LYS 96 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 2ctt s LYS 97 N -5.99 3.13 -0.21 1.97 -2.85 -1.26 -5.10 119.74 109.44 2ctt s LYS 97 Ca -0.13 -0.38 -0.14 0.00 -1.00 0.00 0.00 55.97 54.33 2ctt s LYS 97 Cb 0.26 -2.87 -0.04 0.00 -2.06 0.00 0.00 37.83 33.12 2ctt s LYS 97 CO 0.72 0.66 0.31 0.50 0.10 0.00 0.00 175.35 177.64 2ctt s ARG 98 N -0.75 4.15 -0.14 1.78 3.52 -1.26 -5.07 118.95 121.19 2ctt s ARG 98 Ca 0.12 0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.76 2ctt s ARG 98 Cb -0.12 -3.52 0.02 0.00 -1.56 0.00 0.00 34.95 29.77 2ctt s ARG 98 CO 0.02 0.03 -0.12 0.45 -0.81 0.00 0.00 175.30 174.87 2ctt s SER 99 N 0.97 2.53 0.00 -2.12 0.15 -1.26 -5.03 113.70 108.94 2ctt s SER 99 Ca 0.15 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.37 2ctt s SER 99 Cb -0.14 -1.08 0.00 0.00 -1.71 0.00 0.00 66.02 63.09 2ctt s SER 99 CO 0.06 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.04 2ctt n GLY 100 N 4.81 -3.20 3.13 9.45 0.00 -1.26 -5.04 105.19 113.07 2ctt n GLY 100 Ca -0.16 -1.00 -0.27 0.00 0.00 0.00 0.00 46.02 44.60 2ctt n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ctt n PRO 101 N -0.50 -2.93 -1.60 1.61 -0.04 -1.26 -4.92 135.00 125.36 2ctt n PRO 101 Ca 0.00 -1.56 -0.47 0.00 -0.04 0.00 0.00 63.50 61.43 2ctt n PRO 101 Cb 0.00 -1.46 -0.03 0.00 -0.04 0.00 0.00 33.50 31.96 2ctt n PRO 101 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ctt n SER 102 N -4.68 1.59 -4.93 3.54 2.88 -1.26 -4.96 113.62 105.80 2ctt n SER 102 Ca 0.14 1.15 -0.26 0.00 -1.33 0.00 0.00 58.87 58.57 2ctt n SER 102 Cb 0.53 -1.28 0.01 0.00 -0.75 0.00 0.00 64.21 62.72 2ctt n SER 102 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2ctt s SER 103 N -0.11 5.88 0.00 -3.46 1.04 -1.26 -5.29 113.70 110.50 2ctt s SER 103 Ca 0.68 0.63 0.11 0.00 0.48 0.00 0.00 55.95 57.84 2ctt s SER 103 Cb -0.77 -1.81 0.64 0.00 0.10 0.00 0.00 66.02 64.18 2ctt s SER 103 CO 0.54 -0.78 1.08 0.61 0.98 0.00 0.00 173.24 175.67