#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ccv s VAL 2 N 0.00 1.26 0.12 5.15 1.01 -1.26 -0.32 120.40 126.37 2ccv s VAL 2 Ca 0.00 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.46 2ccv s VAL 2 Cb 0.00 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 2ccv s VAL 2 CO 0.00 0.38 -0.10 -1.10 0.00 0.00 0.00 175.10 174.28 2ccv s GLN 3 N 0.57 0.96 0.24 2.72 -0.21 -0.76 -5.00 119.66 118.17 2ccv s GLN 3 Ca -0.14 -1.33 -0.13 0.00 0.02 0.00 0.00 55.36 53.78 2ccv s GLN 3 Cb -0.16 -0.55 -0.00 0.00 1.00 0.00 0.00 33.01 33.30 2ccv s GLN 3 CO 0.04 0.07 0.48 -1.54 -2.12 0.00 0.00 175.29 172.22 2ccv s SER 4 N -2.88 -0.10 0.00 5.90 1.04 -1.26 -1.20 113.70 115.20 2ccv s SER 4 Ca 0.12 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.66 2ccv s SER 4 Cb 0.01 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.71 2ccv s SER 4 CO -0.00 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 173.70 2ccv n GLY 5 N -0.37 0.71 3.03 7.32 0.00 -0.91 -5.00 105.19 109.97 2ccv n GLY 5 Ca -0.02 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 2ccv n GLY 5 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ccv s LYS 6 N -1.38 0.21 -0.20 1.61 2.20 -1.26 -1.09 119.74 119.84 2ccv s LYS 6 Ca 0.00 0.09 -0.04 0.00 -0.36 0.00 0.00 55.97 55.67 2ccv s LYS 6 Cb 0.00 0.10 -0.01 0.00 -1.51 0.00 0.00 37.83 36.40 2ccv s LYS 6 CO 0.00 -0.03 -0.04 0.42 -0.36 0.00 0.00 175.35 175.33 2ccv s ILE 7 N -0.17 3.51 -0.19 5.43 1.01 0.14 -4.98 121.20 125.95 2ccv s ILE 7 Ca -0.02 -0.46 -0.21 0.00 0.00 0.00 0.00 60.65 59.95 2ccv s ILE 7 Cb -0.02 -2.57 -0.02 0.00 0.01 0.00 0.00 42.46 39.85 2ccv s ILE 7 CO 0.00 0.44 0.64 -0.62 0.00 0.00 0.00 174.94 175.41 2ccv s ASP 8 N 1.10 6.71 -0.06 3.58 2.15 -1.26 -0.66 116.67 128.23 2ccv s ASP 8 Ca 0.01 0.86 0.17 0.00 0.43 0.00 0.00 52.55 54.03 2ccv s ASP 8 Cb -0.15 -2.36 -0.25 0.00 -0.30 0.00 0.00 42.92 39.86 2ccv s ASP 8 CO -0.00 -0.27 0.30 0.00 -0.17 0.00 0.00 175.17 175.03 2ccv n GLY 10 N 1.63 -0.82 3.75 0.00 0.00 -1.20 -4.79 105.19 103.75 2ccv n GLY 10 Ca -0.09 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 2ccv n GLY 10 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ccv s ASP 11 N -4.00 7.15 0.00 1.61 -1.08 -1.08 -3.56 116.67 115.71 2ccv s ASP 11 Ca 0.00 2.25 0.14 0.00 -0.52 0.00 0.00 52.55 54.42 2ccv s ASP 11 Cb 0.00 -2.61 0.76 0.00 -1.46 0.00 0.00 42.92 39.61 2ccv s ASP 11 CO 0.00 -0.29 1.34 -0.90 0.52 0.00 0.00 175.17 175.84 2ccv n ASP 12 N 1.99 0.00 0.32 -0.34 5.68 0.09 -1.66 116.55 122.63 2ccv n ASP 12 Ca 0.02 -0.11 0.20 0.00 -0.50 0.00 0.00 54.79 54.40 2ccv n ASP 12 Cb 0.45 -0.18 1.09 0.00 -1.14 0.00 0.00 41.12 41.33 2ccv n ASP 12 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2ccv h ALA 13 N 2.75 1.22 -0.01 2.12 0.00 -1.92 -1.46 119.26 121.96 2ccv h ALA 13 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ccv h ALA 13 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2ccv h ALA 13 CO 0.00 0.00 -0.17 0.41 0.00 0.00 0.00 179.25 179.49 2ccv n GLY 14 N -1.17 -0.27 3.91 0.00 0.00 -0.67 -4.97 105.19 102.03 2ccv n GLY 14 Ca -0.03 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 2ccv n GLY 14 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2ccv s TRP 15 N -2.30 3.42 -0.10 1.61 0.52 -0.55 -4.95 118.94 116.59 2ccv s TRP 15 Ca 0.29 0.72 -0.12 0.00 0.02 0.00 0.00 56.10 57.00 2ccv s TRP 15 Cb 0.20 -2.47 -0.05 0.00 -1.15 0.00 0.00 33.47 30.00 2ccv s TRP 15 CO 0.45 -0.50 0.28 0.00 0.02 0.00 0.00 176.95 177.20 2ccv s ALA 16 N -2.83 3.71 0.24 0.98 0.00 -0.11 -4.85 121.76 118.92 2ccv s ALA 16 Ca 0.50 -0.44 -0.30 0.00 0.00 0.00 0.00 51.96 51.72 2ccv s ALA 16 Cb -0.10 -2.26 -0.10 0.00 0.00 0.00 0.00 23.12 20.66 2ccv s ALA 16 CO 0.45 0.37 1.37 0.15 0.00 0.00 0.00 175.76 178.10 2ccv s LYS 17 N -0.47 4.33 0.11 0.00 1.02 -1.26 -0.93 119.74 122.53 2ccv s LYS 17 Ca 0.18 2.19 0.05 0.00 0.02 0.00 0.00 55.97 58.41 2ccv s LYS 17 Cb -0.14 -3.14 -0.04 0.00 -0.52 0.00 0.00 37.83 34.00 2ccv s LYS 17 CO 0.07 -0.31 -0.13 0.14 -0.92 0.00 0.00 175.35 174.19 2ccv s VAL 18 N -0.15 1.21 0.36 3.17 -7.23 -0.55 -4.93 120.40 112.28 2ccv s VAL 18 Ca 0.57 -1.60 -0.29 0.00 -1.81 0.00 0.00 61.98 58.85 2ccv s VAL 18 Cb -0.39 -1.39 -0.11 0.00 0.56 0.00 0.00 36.38 35.04 2ccv s VAL 18 CO 0.43 -0.39 1.52 -2.65 -0.31 0.00 0.00 175.10 173.70 2ccv n PRO 19 N 0.72 2.70 -2.54 4.82 -0.02 -1.26 -4.44 135.00 134.97 2ccv n PRO 19 Ca -0.17 0.95 -0.41 0.00 -2.02 0.00 0.00 63.50 61.85 2ccv n PRO 19 Cb 0.56 -2.70 -0.04 0.00 -0.02 0.00 0.00 33.50 31.31 2ccv n PRO 19 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2ccv s SER 20 N 0.03 7.28 0.00 2.55 0.15 -1.26 -4.93 113.70 117.52 2ccv s SER 20 Ca 0.56 2.01 0.20 0.00 0.70 0.00 0.00 55.95 59.42 2ccv s SER 20 Cb -0.48 -2.60 0.54 0.00 -1.71 0.00 0.00 66.02 61.78 2ccv s SER 20 CO 0.60 -0.24 1.45 -0.90 1.20 0.00 0.00 173.24 175.35 2ccv n ASP 21 N 2.74 3.22 -3.65 5.45 5.75 -1.26 -4.78 116.55 124.03 2ccv n ASP 21 Ca 0.04 -1.98 -0.26 0.00 -0.01 0.00 0.00 54.79 52.58 2ccv n ASP 21 Cb 0.47 -0.37 -0.17 0.00 -1.03 0.00 0.00 41.12 40.02 2ccv n ASP 21 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2ccv s ASP 22 N -1.11 2.34 0.26 -1.12 -1.08 -1.26 -5.04 116.67 109.66 2ccv s ASP 22 Ca 0.40 -0.58 0.20 0.00 -0.52 0.00 0.00 52.55 52.05 2ccv s ASP 22 Cb 0.21 -0.33 0.99 0.00 -1.46 0.00 0.00 42.92 42.34 2ccv s ASP 22 CO 0.29 -0.32 1.61 -2.65 0.52 0.00 0.00 175.17 174.61 2ccv n PRO 23 N 5.22 0.14 0.00 4.34 -0.02 -1.26 -0.85 135.00 142.56 2ccv n PRO 23 Ca -0.07 0.55 0.15 0.00 -2.02 0.00 0.00 63.50 62.10 2ccv n PRO 23 Cb 0.49 -1.88 0.72 0.00 -0.02 0.00 0.00 33.50 32.81 2ccv n PRO 23 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ccv n GLY 24 N -0.88 -0.70 3.21 -1.23 0.00 -1.26 -4.80 105.19 99.52 2ccv n GLY 24 Ca -0.00 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 2ccv n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ccv s ARG 25 N -2.15 2.78 0.46 1.61 0.52 -0.03 -5.10 118.95 117.03 2ccv s ARG 25 Ca 0.39 -0.83 0.03 0.00 -0.52 0.00 0.00 55.73 54.80 2ccv s ARG 25 Cb 0.21 -2.16 -0.03 0.00 0.52 0.00 0.00 34.95 33.49 2ccv s ARG 25 CO 0.39 0.21 0.03 0.16 0.02 0.00 0.00 175.30 176.11 2ccv s ASP 26 N 0.27 3.73 -1.60 0.23 -4.77 -1.26 -4.78 116.67 108.49 2ccv s ASP 26 Ca -0.15 -1.57 -0.13 0.00 -3.30 0.00 0.00 52.55 47.40 2ccv s ASP 26 Cb -0.17 0.25 0.11 0.00 -1.09 0.00 0.00 42.92 42.02 2ccv s ASP 26 CO 0.07 -0.75 0.74 -3.20 0.70 0.00 0.00 175.17 172.73 2ccv n ASN 27 N -1.15 -2.88 -4.71 2.11 5.15 -1.26 -0.57 115.26 111.95 2ccv n ASN 27 Ca -0.12 -0.96 -0.42 0.00 -0.60 0.00 0.00 54.58 52.47 2ccv n ASN 27 Cb 0.67 -3.06 -0.03 0.00 -0.53 0.00 0.00 39.78 36.83 2ccv n ASN 27 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2ccv s THR 28 N -3.45 3.67 -0.03 -0.44 -4.23 -1.26 -3.50 115.64 106.39 2ccv s THR 28 Ca 0.55 1.17 -0.05 0.00 -1.18 0.00 0.00 61.69 62.19 2ccv s THR 28 Cb -0.29 -3.75 0.01 0.00 1.34 0.00 0.00 72.50 69.80 2ccv s THR 28 CO 0.90 0.07 0.12 -0.13 -0.54 0.00 0.00 174.62 175.04 2ccv s ARG 29 N 1.33 0.21 0.14 3.99 0.52 -0.48 -1.48 118.95 123.18 2ccv s ARG 29 Ca 0.62 0.03 -0.15 0.00 -0.52 0.00 0.00 55.73 55.71 2ccv s ARG 29 Cb -0.33 0.10 0.03 0.00 0.52 0.00 0.00 34.95 35.26 2ccv s ARG 29 CO 0.29 -0.04 0.39 -1.83 0.02 0.00 0.00 175.30 174.13 2ccv s GLU 30 N -0.27 1.11 -0.42 3.54 -1.05 -0.11 -1.04 118.70 120.47 2ccv s GLU 30 Ca -0.03 -0.81 -0.05 0.00 -0.15 0.00 0.00 54.97 53.93 2ccv s GLU 30 Cb -0.03 0.46 0.10 0.00 -0.44 0.00 0.00 34.13 34.22 2ccv s GLU 30 CO 0.00 -0.43 0.23 -1.17 0.95 0.00 0.00 175.26 174.84 2ccv s LEU 31 N -2.84 5.24 -0.01 1.83 1.98 0.04 -0.93 118.68 123.99 2ccv s LEU 31 Ca 0.06 -1.88 -0.19 0.00 -2.89 0.00 0.00 54.13 49.22 2ccv s LEU 31 Cb 0.02 -1.88 -0.05 0.00 0.66 0.00 0.00 46.19 44.93 2ccv s LEU 31 CO -0.09 -0.55 0.56 0.00 -1.89 0.00 0.00 176.35 174.37 2ccv s ALA 32 N 1.23 3.51 -0.02 5.97 0.00 -1.26 -1.56 121.76 129.64 2ccv s ALA 32 Ca 0.06 -0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.02 2ccv s ALA 32 Cb -0.23 -2.68 -0.00 0.00 0.00 0.00 0.00 23.12 20.20 2ccv s ALA 32 CO -0.02 0.19 -0.10 0.15 0.00 0.00 0.00 175.76 175.98 2ccv s LYS 33 N -0.24 0.93 -0.28 0.00 1.02 0.22 -5.00 119.74 116.41 2ccv s LYS 33 Ca 0.29 -0.35 -0.12 0.00 0.02 0.00 0.00 55.97 55.82 2ccv s LYS 33 Cb -0.18 -0.88 -0.05 0.00 -0.52 0.00 0.00 37.83 36.20 2ccv s LYS 33 CO 0.16 0.17 0.21 -0.80 -0.92 0.00 0.00 175.35 174.17 2ccv s ASN 34 N -0.02 6.06 -0.17 2.83 -0.87 -1.26 -1.65 114.94 119.86 2ccv s ASN 34 Ca 0.00 0.04 -0.08 0.00 -1.57 0.00 0.00 52.86 51.25 2ccv s ASN 34 Cb -0.06 -2.13 -0.04 0.00 -0.02 0.00 0.00 41.25 38.99 2ccv s ASN 34 CO 0.00 -0.06 0.12 -0.63 -2.57 0.00 0.00 177.10 173.95 2ccv s ILE 35 N 1.77 5.28 -0.24 0.60 -1.09 0.11 -4.95 121.20 122.68 2ccv s ILE 35 Ca 0.08 0.14 -0.08 0.00 -2.23 0.00 0.00 60.65 58.56 2ccv s ILE 35 Cb -0.16 -3.37 -0.04 0.00 -1.58 0.00 0.00 42.46 37.32 2ccv s ILE 35 CO 0.11 0.50 0.09 -0.89 -1.23 0.00 0.00 174.94 173.52 2ccv s THR 36 N -0.10 4.59 0.37 2.92 2.01 -1.26 -1.42 115.64 122.74 2ccv s THR 36 Ca 0.09 -0.08 -0.28 0.00 0.31 0.00 0.00 61.69 61.73 2ccv s THR 36 Cb -0.12 -3.14 -0.11 0.00 0.01 0.00 0.00 72.50 69.15 2ccv s THR 36 CO 0.00 0.35 1.44 -0.36 -0.69 0.00 0.00 174.62 175.36 2ccv s PHE 37 N 1.36 2.71 -0.35 4.92 0.08 0.73 -4.84 117.98 122.59 2ccv s PHE 37 Ca 0.05 1.24 -0.05 0.00 0.12 0.00 0.00 56.93 58.29 2ccv s PHE 37 Cb -0.15 -3.93 -0.14 0.00 -0.57 0.00 0.00 43.02 38.23 2ccv s PHE 37 CO 0.04 -2.68 2.52 0.00 -0.10 0.00 0.00 175.22 175.00 2ccv n ALA 38 N 0.54 4.88 0.00 5.36 0.00 -1.26 -4.30 120.51 125.72 2ccv n ALA 38 Ca 0.01 -1.59 0.00 0.00 0.00 0.00 0.00 53.44 51.85 2ccv n ALA 38 Cb 0.40 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.30 2ccv n ALA 38 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ccv n SER 39 N 3.10 0.00 -4.77 0.00 7.64 -1.26 -5.12 113.62 113.21 2ccv n SER 39 Ca 0.37 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.89 2ccv n SER 39 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 2ccv n SER 39 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 2ccv s PRO 40 N -0.33 3.47 0.61 1.43 0.02 -1.26 -4.98 135.00 133.96 2ccv s PRO 40 Ca 0.00 1.72 -0.02 0.00 0.02 0.00 0.00 61.00 62.71 2ccv s PRO 40 Cb 0.00 -2.16 0.04 0.00 0.02 0.00 0.00 34.50 32.40 2ccv s PRO 40 CO 0.00 -0.78 0.88 0.71 -0.33 0.00 0.00 177.00 177.48 2ccv s TYR 41 N -1.65 2.89 -0.22 6.54 1.51 0.37 -4.96 117.35 121.82 2ccv s TYR 41 Ca 0.70 0.18 0.20 0.00 -1.01 0.00 0.00 57.07 57.14 2ccv s TYR 41 Cb -0.27 -2.94 0.02 0.00 -0.11 0.00 0.00 41.96 38.66 2ccv s TYR 41 CO 0.31 -1.10 1.11 0.00 -1.11 0.00 0.00 175.55 174.77 2ccv s ARG 43 N -3.17 0.71 0.18 0.00 1.70 -1.26 -4.84 118.95 112.27 2ccv s ARG 43 Ca 0.00 -0.78 -0.33 0.00 -0.47 0.00 0.00 55.73 54.15 2ccv s ARG 43 Cb 0.08 0.29 -0.15 0.00 -0.57 0.00 0.00 34.95 34.60 2ccv s ARG 43 CO 0.77 -0.20 1.29 -2.30 -1.08 0.00 0.00 175.30 173.78 2ccv n PRO 44 N 0.46 1.49 -1.52 3.89 -0.02 -1.26 -4.50 135.00 133.54 2ccv n PRO 44 Ca -0.17 0.53 -0.29 0.00 -2.02 0.00 0.00 63.50 61.55 2ccv n PRO 44 Cb 0.60 -2.12 0.15 0.00 -0.02 0.00 0.00 33.50 32.11 2ccv n PRO 44 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2ccv s PRO 45 N -0.19 0.89 0.02 0.52 0.04 -1.26 -4.93 135.00 130.08 2ccv s PRO 45 Ca 0.73 0.21 -0.24 0.00 0.04 0.00 0.00 61.00 61.75 2ccv s PRO 45 Cb -0.79 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 31.88 2ccv s PRO 45 CO 0.50 -2.35 0.71 0.08 0.04 0.00 0.00 177.00 175.97 2ccv s VAL 46 N -3.30 4.82 -0.04 -0.36 1.01 -0.36 -4.86 120.40 117.30 2ccv s VAL 46 Ca 0.65 1.50 0.07 0.00 0.00 0.00 0.00 61.98 64.20 2ccv s VAL 46 Cb -0.14 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 2ccv s VAL 46 CO 0.54 0.36 -0.25 -0.69 0.00 0.00 0.00 175.10 175.06 2ccv s VAL 47 N 0.02 1.99 -0.04 2.92 1.01 -1.26 -0.45 120.40 124.58 2ccv s VAL 47 Ca 0.36 -1.05 0.05 0.00 0.00 0.00 0.00 61.98 61.35 2ccv s VAL 47 Cb -0.19 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 2ccv s VAL 47 CO 0.21 0.56 -0.20 -0.22 0.00 0.00 0.00 175.10 175.45 2ccv s LEU 48 N -0.29 1.98 0.02 3.92 2.96 -0.64 -5.00 118.68 121.63 2ccv s LEU 48 Ca 0.01 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.53 2ccv s LEU 48 Cb -0.12 -1.09 -0.04 0.00 0.50 0.00 0.00 46.19 45.44 2ccv s LEU 48 CO 0.02 0.20 0.04 -0.76 -1.32 0.00 0.00 176.35 174.53 2ccv s LEU 49 N -0.14 3.68 -0.02 -0.68 1.43 -1.26 -1.71 118.68 119.99 2ccv s LEU 49 Ca -0.01 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 2ccv s LEU 49 Cb -0.11 -2.18 0.02 0.00 0.03 0.00 0.00 46.19 43.95 2ccv s LEU 49 CO 0.02 0.25 0.00 -0.55 0.23 0.00 0.00 176.35 176.31 2ccv s SER 50 N -1.79 0.25 -0.49 2.29 0.15 0.37 -4.99 113.70 109.49 2ccv s SER 50 Ca 0.22 -0.01 -0.26 0.00 0.70 0.00 0.00 55.95 56.61 2ccv s SER 50 Cb -0.12 -0.12 0.03 0.00 -1.71 0.00 0.00 66.02 64.10 2ccv s SER 50 CO 0.14 -0.08 0.97 -0.63 1.20 0.00 0.00 173.24 174.84 2ccv s ILE 51 N 0.75 4.40 -1.04 6.45 1.01 -1.26 0.08 121.20 131.59 2ccv s ILE 51 Ca -0.07 0.72 0.09 0.00 0.00 0.00 0.00 60.65 61.39 2ccv s ILE 51 Cb -0.10 -4.49 0.11 0.00 0.01 0.00 0.00 42.46 37.99 2ccv s ILE 51 CO -0.02 -0.94 0.87 0.35 0.00 0.00 0.00 174.94 175.21 2ccv n THR 52 N 6.45 0.21 -3.76 2.92 -2.24 -0.52 -4.93 114.28 112.40 2ccv n THR 52 Ca 0.06 -0.60 -0.13 0.00 -2.27 0.00 0.00 64.05 61.11 2ccv n THR 52 Cb 0.48 1.04 -0.13 0.00 -2.10 0.00 0.00 70.33 69.63 2ccv n THR 52 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2ccv s GLN 53 N -0.80 0.22 -0.09 -0.78 0.74 -1.15 -4.94 119.66 112.86 2ccv s GLN 53 Ca 0.12 0.41 -0.07 0.00 0.05 0.00 0.00 55.36 55.86 2ccv s GLN 53 Cb 0.08 -0.01 0.03 0.00 1.10 0.00 0.00 33.01 34.20 2ccv s GLN 53 CO 0.11 -0.10 0.24 -1.17 -0.55 0.00 0.00 175.29 173.82 2ccv s LEU 54 N 0.72 0.95 -0.23 3.68 2.96 -1.26 -1.49 118.68 124.00 2ccv s LEU 54 Ca -0.05 0.48 -0.04 0.00 -0.22 0.00 0.00 54.13 54.30 2ccv s LEU 54 Cb -0.06 0.78 0.08 0.00 0.50 0.00 0.00 46.19 47.49 2ccv s LEU 54 CO -0.04 -0.10 0.14 -0.62 -1.32 0.00 0.00 176.35 174.40 2ccv s ASP 55 N 0.39 2.64 -0.01 3.68 -1.08 -0.10 -4.95 116.67 117.25 2ccv s ASP 55 Ca -0.02 -0.84 0.04 0.00 -0.52 0.00 0.00 52.55 51.21 2ccv s ASP 55 Cb -0.04 -0.16 -0.01 0.00 -1.46 0.00 0.00 42.92 41.26 2ccv s ASP 55 CO -0.02 -0.38 -0.14 -0.69 0.52 0.00 0.00 175.17 174.46 2ccv s VAL 56 N 2.16 1.07 0.12 1.11 1.01 -1.26 -0.43 120.40 124.18 2ccv s VAL 56 Ca 0.06 -0.61 -0.31 0.00 0.00 0.00 0.00 61.98 61.12 2ccv s VAL 56 Cb -0.16 -0.90 -0.10 0.00 0.00 0.00 0.00 36.38 35.23 2ccv s VAL 56 CO -0.22 0.28 1.67 -0.70 0.00 0.00 0.00 175.10 176.13 2ccv s GLU 57 N -0.38 4.18 0.49 2.72 2.56 -0.31 -4.92 118.70 123.04 2ccv s GLU 57 Ca 0.05 2.42 0.28 0.00 0.00 0.00 0.00 54.97 57.72 2ccv s GLU 57 Cb -0.05 -3.43 0.84 0.00 2.00 0.00 0.00 34.13 33.49 2ccv s GLU 57 CO -0.00 -0.72 1.79 -0.56 -0.56 0.00 0.00 175.26 175.20 2ccv h GLN 58 N 7.82 0.00 0.00 4.30 -0.00 -1.98 -3.25 115.11 122.01 2ccv h GLN 58 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.22 2ccv h GLN 58 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.69 2ccv h GLN 58 CO 0.93 0.01 0.00 -1.13 -0.00 0.00 0.00 178.83 178.64 2ccv n SER 59 N -3.10 0.00 -4.30 0.06 3.41 -1.26 -4.75 113.62 103.68 2ccv n SER 59 Ca 0.02 0.17 -0.19 0.00 -0.26 0.00 0.00 58.87 58.61 2ccv n SER 59 Cb 0.42 -0.39 -0.11 0.00 -0.26 0.00 0.00 64.21 63.88 2ccv n SER 59 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2ccv s GLN 60 N -2.78 1.18 0.60 4.33 -1.52 -1.23 -5.12 119.66 115.13 2ccv s GLN 60 Ca 0.21 -1.39 -0.19 0.00 -1.95 0.00 0.00 55.36 52.04 2ccv s GLN 60 Cb 0.19 -1.07 -0.03 0.00 -0.22 0.00 0.00 33.01 31.87 2ccv s GLN 60 CO 0.48 0.20 1.18 0.09 -0.25 0.00 0.00 175.29 176.99 2ccv n ASN 61 N 0.18 1.70 -4.65 5.90 3.02 -1.26 -4.86 115.26 115.29 2ccv n ASN 61 Ca -0.13 0.86 -0.43 0.00 -0.03 0.00 0.00 54.58 54.85 2ccv n ASN 61 Cb 0.58 -1.49 -0.02 0.00 -0.61 0.00 0.00 39.78 38.24 2ccv n ASN 61 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2ccv s LEU 62 N -3.19 4.08 -0.23 3.41 2.96 -1.26 -4.46 118.68 119.99 2ccv s LEU 62 Ca 0.77 1.43 -0.03 0.00 -0.22 0.00 0.00 54.13 56.09 2ccv s LEU 62 Cb -0.41 -3.54 0.07 0.00 0.50 0.00 0.00 46.19 42.82 2ccv s LEU 62 CO 0.45 -0.79 0.06 -0.13 -1.32 0.00 0.00 176.35 174.62 2ccv s ARG 63 N 3.51 0.60 -0.03 1.98 0.52 -1.26 -5.13 118.95 119.14 2ccv s ARG 63 Ca 0.50 -0.57 -0.05 0.00 -0.52 0.00 0.00 55.73 55.09 2ccv s ARG 63 Cb -0.17 -1.97 0.01 0.00 0.52 0.00 0.00 34.95 33.33 2ccv s ARG 63 CO 0.13 -0.76 0.12 0.14 0.02 0.00 0.00 175.30 174.95 2ccv s VAL 64 N 1.84 0.03 -0.01 3.52 -7.23 -1.26 -4.38 120.40 112.92 2ccv s VAL 64 Ca 0.03 -0.28 0.02 0.00 -1.81 0.00 0.00 61.98 59.93 2ccv s VAL 64 Cb -0.17 -0.27 -0.00 0.00 0.56 0.00 0.00 36.38 36.50 2ccv s VAL 64 CO -0.15 -0.15 -0.07 -0.63 -0.31 0.00 0.00 175.10 173.79 2ccv s ILE 65 N -0.49 0.53 -0.41 -0.62 1.01 -0.22 -5.00 121.20 116.00 2ccv s ILE 65 Ca -0.06 -0.27 -0.12 0.00 0.00 0.00 0.00 60.65 60.20 2ccv s ILE 65 Cb -0.04 -0.45 0.05 0.00 0.01 0.00 0.00 42.46 42.03 2ccv s ILE 65 CO 0.01 0.15 0.28 0.00 0.00 0.00 0.00 174.94 175.38 2ccv s ALA 66 N -0.08 3.38 -0.16 9.38 0.00 -1.26 -0.98 121.76 132.04 2ccv s ALA 66 Ca 0.02 -1.91 -0.02 0.00 0.00 0.00 0.00 51.96 50.05 2ccv s ALA 66 Cb -0.03 -2.77 -0.02 0.00 0.00 0.00 0.00 23.12 20.30 2ccv s ALA 66 CO -0.00 -1.54 -0.08 0.50 0.00 0.00 0.00 175.76 174.64 2ccv s ARG 67 N 1.57 3.46 -0.46 0.00 6.06 -0.48 -4.96 118.95 124.14 2ccv s ARG 67 Ca 0.03 -0.62 -0.19 0.00 -2.50 0.00 0.00 55.73 52.45 2ccv s ARG 67 Cb -0.21 -2.82 0.04 0.00 0.06 0.00 0.00 34.95 32.01 2ccv s ARG 67 CO 0.06 0.10 0.56 -1.17 -2.50 0.00 0.00 175.30 172.35 2ccv s LEU 68 N 0.69 4.82 -0.06 -0.88 2.96 -1.26 -0.97 118.68 123.99 2ccv s LEU 68 Ca -0.04 -0.69 -0.23 0.00 -0.22 0.00 0.00 54.13 52.95 2ccv s LEU 68 Cb -0.15 -2.50 -0.29 0.00 0.50 0.00 0.00 46.19 43.75 2ccv s LEU 68 CO 0.02 -0.75 0.90 1.88 -1.32 0.00 0.00 176.35 177.08 2ccv h TYR 69 N 8.87 0.43 -2.11 5.38 -1.99 -1.49 -3.49 116.97 122.56 2ccv h TYR 69 Ca -0.27 -0.30 0.09 0.00 2.00 0.00 0.00 58.73 60.25 2ccv h TYR 69 Cb 1.10 -0.02 -0.17 0.00 2.00 0.00 0.00 36.73 39.64 2ccv h TYR 69 CO 0.70 1.21 0.48 -1.54 -0.00 0.00 0.00 178.16 179.01 2ccv s SER 70 N -6.76 -0.39 -0.01 3.88 1.04 -1.21 -5.00 113.70 105.24 2ccv s SER 70 Ca -0.15 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.43 2ccv s SER 70 Cb 0.00 0.38 0.01 0.00 0.10 0.00 0.00 66.02 66.52 2ccv s SER 70 CO 0.80 -0.56 0.01 -0.69 0.98 0.00 0.00 173.24 173.77 2ccv s VAL 71 N -2.52 0.01 0.33 5.02 1.01 -1.26 -1.63 120.40 121.35 2ccv s VAL 71 Ca 0.02 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.12 2ccv s VAL 71 Cb -0.01 -0.08 -0.06 0.00 0.00 0.00 0.00 36.38 36.24 2ccv s VAL 71 CO -0.05 0.05 0.07 -0.94 0.00 0.00 0.00 175.10 174.23 2ccv s SER 72 N 0.49 2.35 0.62 3.32 1.04 -0.42 -4.82 113.70 116.28 2ccv s SER 72 Ca -0.04 -1.41 0.39 0.00 0.48 0.00 0.00 55.95 55.37 2ccv s SER 72 Cb -0.06 -0.01 2.00 0.00 0.10 0.00 0.00 66.02 68.05 2ccv s SER 72 CO -0.01 -0.65 2.23 -0.65 0.98 0.00 0.00 173.24 175.14 2ccv h PRO 73 N 2.10 0.00 -0.01 4.02 0.11 -1.84 -3.07 132.00 133.31 2ccv h PRO 73 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2ccv h PRO 73 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2ccv h PRO 73 CO 0.68 0.01 -0.12 -1.13 -0.21 0.00 0.00 178.00 177.24 2ccv n SER 74 N -3.17 1.90 0.00 -2.05 3.41 -1.26 0.14 113.62 112.59 2ccv n SER 74 Ca -0.02 -1.45 0.00 0.00 -0.26 0.00 0.00 58.87 57.14 2ccv n SER 74 Cb 0.16 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 2ccv n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ccv n GLY 75 N 0.91 -1.01 3.55 5.00 0.00 -1.16 -0.19 105.19 112.28 2ccv n GLY 75 Ca 0.07 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 2ccv n GLY 75 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ccv s PHE 76 N -3.00 -0.12 -0.17 1.61 -0.12 -0.51 -1.30 117.98 114.36 2ccv s PHE 76 Ca 0.00 -0.22 -0.03 0.00 -0.05 0.00 0.00 56.93 56.63 2ccv s PHE 76 Cb 0.00 0.42 -0.02 0.00 -0.63 0.00 0.00 43.02 42.79 2ccv s PHE 76 CO 0.00 -0.94 -0.06 0.21 -0.05 0.00 0.00 175.22 174.38 2ccv s LYS 77 N -3.88 3.51 0.05 1.99 2.20 -0.65 0.08 119.74 123.05 2ccv s LYS 77 Ca 0.09 -0.59 -0.00 0.00 -0.36 0.00 0.00 55.97 55.11 2ccv s LYS 77 Cb -0.01 -2.90 -0.03 0.00 -1.51 0.00 0.00 37.83 33.38 2ccv s LYS 77 CO -0.02 0.08 -0.04 0.00 -0.36 0.00 0.00 175.35 175.01 2ccv s ALA 78 N 0.77 0.51 0.03 3.13 0.00 -0.66 -1.11 121.76 124.43 2ccv s ALA 78 Ca -0.02 -1.06 -0.04 0.00 0.00 0.00 0.00 51.96 50.85 2ccv s ALA 78 Cb -0.15 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 2ccv s ALA 78 CO 0.02 -0.27 0.05 -1.54 0.00 0.00 0.00 175.76 174.02 2ccv s SER 79 N -2.50 0.22 -0.05 0.00 1.04 -0.14 -0.61 113.70 111.67 2ccv s SER 79 Ca 0.01 -0.56 -0.22 0.00 0.48 0.00 0.00 55.95 55.67 2ccv s SER 79 Cb 0.02 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 2ccv s SER 79 CO -0.06 -0.45 0.65 0.00 0.98 0.00 0.00 173.24 174.36 2ccv s TYR 81 N 0.43 0.59 0.30 0.00 5.04 -0.15 -0.78 117.35 122.78 2ccv s TYR 81 Ca 0.34 -0.12 0.01 0.00 -2.44 0.00 0.00 57.07 54.87 2ccv s TYR 81 Cb -0.18 -0.42 -0.02 0.00 0.35 0.00 0.00 41.96 41.69 2ccv s TYR 81 CO 0.17 -0.05 0.31 -0.08 -1.34 0.00 0.00 175.55 174.57 2ccv s THR 82 N 0.09 0.00 0.32 4.34 -1.32 -0.21 -1.06 115.64 117.81 2ccv s THR 82 Ca -0.01 -1.85 -0.17 0.00 -1.21 0.00 0.00 61.69 58.45 2ccv s THR 82 Cb -0.05 -2.52 0.03 0.00 -1.51 0.00 0.00 72.50 68.45 2ccv s THR 82 CO -0.00 0.00 0.71 -1.66 -2.21 0.00 0.00 174.62 171.45 2ccv s TRP 83 N -3.54 0.07 0.00 9.09 -2.14 -1.26 -1.38 118.94 119.78 2ccv s TRP 83 Ca 0.36 -0.59 0.00 0.00 2.66 0.00 0.00 56.10 58.54 2ccv s TRP 83 Cb 0.02 0.65 0.00 0.00 -3.10 0.00 0.00 33.47 31.05 2ccv s TRP 83 CO 0.21 -1.34 0.00 1.58 -2.66 0.00 0.00 176.95 174.74 2ccv n HIS 84 N -0.49 0.00 -0.61 1.66 -0.00 0.27 -3.06 115.22 113.00 2ccv n HIS 84 Ca -0.05 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.76 2ccv n HIS 84 Cb 0.60 0.02 0.35 0.00 -0.00 0.00 0.00 29.99 30.95 2ccv n HIS 84 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 2ccv n ASN 85 N 0.86 4.63 -4.76 0.26 6.94 -1.26 -4.81 115.26 117.11 2ccv n ASN 85 Ca 0.00 -2.42 -0.40 0.00 -0.02 0.00 0.00 54.58 51.74 2ccv n ASN 85 Cb 0.00 -0.56 0.02 0.00 -2.36 0.00 0.00 39.78 36.88 2ccv n ASN 85 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 2ccv n THR 86 N 1.09 2.99 -4.16 5.53 -1.04 -1.17 -4.85 114.28 112.68 2ccv n THR 86 Ca 0.25 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.05 61.43 2ccv n THR 86 Cb 0.86 -1.83 -0.16 0.00 -1.82 0.00 0.00 70.33 67.37 2ccv n THR 86 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2ccv s LYS 87 N -2.54 2.99 -0.28 -2.82 2.47 -1.26 -4.89 119.74 113.41 2ccv s LYS 87 Ca 0.63 -0.83 -0.09 0.00 -1.56 0.00 0.00 55.97 54.12 2ccv s LYS 87 Cb -0.44 -2.56 -0.02 0.00 -1.46 0.00 0.00 37.83 33.35 2ccv s LYS 87 CO 0.56 -0.20 0.12 0.08 0.16 0.00 0.00 175.35 176.07 2ccv s VAL 88 N 1.26 4.49 0.03 4.02 1.01 -1.26 -1.16 120.40 128.78 2ccv s VAL 88 Ca 0.04 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 61.77 2ccv s VAL 88 Cb -0.13 -3.20 -0.24 0.00 0.00 0.00 0.00 36.38 32.80 2ccv s VAL 88 CO -0.12 0.19 0.94 1.88 0.00 0.00 0.00 175.10 177.99 2ccv h TYR 89 N 8.30 0.20 -2.24 5.22 0.05 -1.04 0.28 116.97 127.74 2ccv h TYR 89 Ca -0.35 -0.15 -0.06 0.00 0.05 0.00 0.00 58.73 58.22 2ccv h TYR 89 Cb 1.16 -0.01 -0.22 0.00 1.01 0.00 0.00 36.73 38.67 2ccv h TYR 89 CO 0.66 1.17 0.01 -1.12 -1.05 0.00 0.00 178.16 177.83 2ccv s SER 90 N -6.68 -0.65 -0.11 3.88 0.01 -1.05 -2.62 113.70 106.48 2ccv s SER 90 Ca -0.05 1.25 -0.08 0.00 1.31 0.00 0.00 55.95 58.39 2ccv s SER 90 Cb 0.08 1.27 0.04 0.00 0.21 0.00 0.00 66.02 67.62 2ccv s SER 90 CO 0.84 -0.22 0.28 -0.32 0.41 0.00 0.00 173.24 174.23 2ccv s MET 91 N 0.36 0.28 0.02 12.44 1.75 -1.23 -0.92 119.30 132.00 2ccv s MET 91 Ca -0.00 0.51 0.04 0.00 -1.25 0.00 0.00 55.69 54.98 2ccv s MET 91 Cb -0.04 0.01 -0.02 0.00 2.84 0.00 0.00 34.83 37.62 2ccv s MET 91 CO 0.00 -0.11 -0.11 -1.12 -0.65 0.00 0.00 175.02 173.03 2ccv s SER 92 N 0.82 1.30 -0.16 1.11 0.01 -0.56 -0.78 113.70 115.45 2ccv s SER 92 Ca -0.05 -0.36 -0.00 0.00 1.31 0.00 0.00 55.95 56.84 2ccv s SER 92 Cb -0.07 -0.09 -0.00 0.00 0.21 0.00 0.00 66.02 66.08 2ccv s SER 92 CO -0.05 0.02 -0.14 -0.63 0.41 0.00 0.00 173.24 172.84 2ccv s ILE 93 N -0.70 2.75 0.11 1.44 1.01 0.16 -1.44 121.20 124.53 2ccv s ILE 93 Ca 0.00 -0.74 -0.09 0.00 0.00 0.00 0.00 60.65 59.82 2ccv s ILE 93 Cb -0.07 -2.17 -0.06 0.00 0.01 0.00 0.00 42.46 40.18 2ccv s ILE 93 CO 0.01 0.51 0.42 -0.44 0.00 0.00 0.00 174.94 175.44 2ccv s SER 94 N 0.81 6.63 0.07 3.58 0.01 0.11 0.24 113.70 125.15 2ccv s SER 94 Ca -0.05 0.79 0.02 0.00 1.31 0.00 0.00 55.95 58.02 2ccv s SER 94 Cb -0.15 -2.18 -0.03 0.00 0.21 0.00 0.00 66.02 63.87 2ccv s SER 94 CO 0.00 0.13 -0.08 -1.66 0.41 0.00 0.00 173.24 172.05 2ccv s TRP 95 N -1.48 0.81 0.02 2.43 1.48 -0.25 -0.48 118.94 121.47 2ccv s TRP 95 Ca 0.36 -0.69 0.02 0.00 -1.06 0.00 0.00 56.10 54.73 2ccv s TRP 95 Cb -0.13 -0.47 -0.02 0.00 -1.16 0.00 0.00 33.47 31.69 2ccv s TRP 95 CO 0.19 -0.10 -0.08 -1.50 -4.06 0.00 0.00 176.95 171.40 2ccv s ILE 96 N -2.44 0.57 -0.04 0.66 2.07 -0.69 -2.14 121.20 119.19 2ccv s ILE 96 Ca 0.01 -0.72 0.05 0.00 -1.41 0.00 0.00 60.65 58.58 2ccv s ILE 96 Cb -0.03 -0.56 -0.01 0.00 0.13 0.00 0.00 42.46 41.99 2ccv s ILE 96 CO -0.02 -0.12 -0.20 -0.94 -1.91 0.00 0.00 174.94 171.75 2ccv s SER 97 N -0.93 2.47 -0.08 4.50 1.04 -0.34 -1.61 113.70 118.74 2ccv s SER 97 Ca -0.03 -0.40 0.01 0.00 0.48 0.00 0.00 55.95 56.00 2ccv s SER 97 Cb -0.06 -0.59 0.02 0.00 0.10 0.00 0.00 66.02 65.49 2ccv s SER 97 CO 0.00 0.20 -0.09 -0.63 0.98 0.00 0.00 173.24 173.70 2ccv s ILE 98 N -0.14 0.99 -2.00 -1.02 1.01 0.40 -1.83 121.20 118.60 2ccv s ILE 98 Ca -0.01 -0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.32 2ccv s ILE 98 Cb -0.11 -0.96 0.04 0.00 0.01 0.00 0.00 42.46 41.44 2ccv s ILE 98 CO 0.02 0.34 0.57 -1.84 0.00 0.00 0.00 174.94 174.03