#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fac s LYS 2 N 0.00 4.27 0.01 2.12 2.20 -1.26 -1.11 119.74 125.97 3fac s LYS 2 Ca 0.00 0.82 0.03 0.00 -0.36 0.00 0.00 55.97 56.46 3fac s LYS 2 Cb 0.00 -3.21 -0.01 0.00 -1.51 0.00 0.00 37.83 33.10 3fac s LYS 2 CO 0.00 0.61 -0.09 0.20 -0.36 0.00 0.00 175.35 175.71 3fac s GLY 3 N -1.17 0.45 -0.06 5.54 0.00 -0.39 -1.03 107.32 110.66 3fac s GLY 3 Ca 0.32 -0.47 -0.10 0.00 0.00 0.00 0.00 44.72 44.46 3fac s GLY 3 CO 0.21 -0.44 0.25 -0.51 0.00 0.00 0.00 173.10 172.61 3fac s THR 4 N -0.47 0.03 1.04 0.90 -4.23 -0.46 -0.33 115.64 112.12 3fac s THR 4 Ca 0.01 -0.23 -0.15 0.00 -1.18 0.00 0.00 61.69 60.14 3fac s THR 4 Cb -0.05 -0.44 0.21 0.00 1.34 0.00 0.00 72.50 73.56 3fac s THR 4 CO 0.00 -0.12 1.13 0.00 -0.54 0.00 0.00 174.62 175.08 3fac h HIS 6 N -1.99 0.63 -0.96 0.00 2.76 -1.94 -3.10 115.15 110.55 3fac h HIS 6 Ca -0.50 -0.24 0.09 0.00 -2.20 0.00 0.00 60.37 57.51 3fac h HIS 6 Cb 1.31 -0.11 -0.07 0.00 1.55 0.00 0.00 27.41 30.09 3fac h HIS 6 CO -0.53 0.98 0.60 0.00 -1.30 0.00 0.00 177.93 177.68 3fac n GLY 8 N -1.35 0.22 0.07 0.00 0.00 -1.17 -4.96 105.19 98.00 3fac n GLY 8 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 3fac n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fac h ALA 9 N 0.00 0.07 -2.87 4.61 0.00 -1.89 -3.44 119.26 115.74 3fac h ALA 9 Ca 0.00 -0.18 -0.61 0.00 0.00 0.00 0.00 54.91 54.12 3fac h ALA 9 Cb 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.69 3fac h ALA 9 CO 0.00 -0.24 -0.32 0.08 0.00 0.00 0.00 179.25 178.77 3fac s VAL 10 N -4.89 5.26 -0.03 0.00 1.01 -1.26 -3.55 120.40 116.94 3fac s VAL 10 Ca -0.15 0.57 0.01 0.00 0.00 0.00 0.00 61.98 62.41 3fac s VAL 10 Cb 0.04 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.83 3fac s VAL 10 CO 0.69 0.49 -0.03 -0.70 0.00 0.00 0.00 175.10 175.55 3fac s GLU 11 N -0.31 0.53 0.22 2.72 2.12 -0.21 -2.38 118.70 121.39 3fac s GLU 11 Ca 0.18 -0.05 0.06 0.00 0.36 0.00 0.00 54.97 55.53 3fac s GLU 11 Cb -0.14 -0.60 -0.05 0.00 0.26 0.00 0.00 34.13 33.60 3fac s GLU 11 CO 0.07 -0.06 -0.10 0.96 -0.54 0.00 0.00 175.26 175.59 3fac s ILE 12 N 0.75 1.53 -0.08 -3.70 -4.36 0.55 0.39 121.20 116.27 3fac s ILE 12 Ca -0.09 -2.14 0.03 0.00 -0.26 0.00 0.00 60.65 58.20 3fac s ILE 12 Cb -0.12 -2.15 0.00 0.00 1.25 0.00 0.00 42.46 41.44 3fac s ILE 12 CO -0.01 -0.51 -0.20 -0.70 0.24 0.00 0.00 174.94 173.76 3fac s GLU 13 N -3.71 2.52 -0.02 0.37 2.12 0.31 -1.26 118.70 119.02 3fac s GLU 13 Ca 0.24 -0.71 -0.11 0.00 0.36 0.00 0.00 54.97 54.75 3fac s GLU 13 Cb 0.02 -1.96 0.02 0.00 0.26 0.00 0.00 34.13 32.47 3fac s GLU 13 CO 0.07 0.14 0.25 0.54 -0.54 0.00 0.00 175.26 175.72 3fac s VAL 14 N 0.42 0.06 -0.34 3.70 0.11 -0.27 -0.78 120.40 123.30 3fac s VAL 14 Ca -0.16 -0.46 0.00 0.00 -2.93 0.00 0.00 61.98 58.43 3fac s VAL 14 Cb -0.17 -0.51 0.08 0.00 -1.53 0.00 0.00 36.38 34.25 3fac s VAL 14 CO 0.07 -0.25 0.06 -1.61 -3.33 0.00 0.00 175.10 170.04 3fac s GLU 15 N -1.08 1.99 0.22 1.54 0.41 -0.05 -2.07 118.70 119.67 3fac s GLU 15 Ca -0.11 -1.63 -0.32 0.00 -0.41 0.00 0.00 54.97 52.50 3fac s GLU 15 Cb -0.05 -3.27 -0.12 0.00 -1.78 0.00 0.00 34.13 28.90 3fac s GLU 15 CO 0.03 -0.85 1.69 1.28 -0.49 0.00 0.00 175.26 176.92 3fac n LEU 16 N 4.48 3.98 0.05 1.80 4.77 -1.26 -4.42 117.00 126.40 3fac n LEU 16 Ca -0.05 1.08 -0.11 0.00 -0.03 0.00 0.00 56.01 56.90 3fac n LEU 16 Cb 0.42 -1.57 -0.04 0.00 -2.33 0.00 0.00 43.42 39.90 3fac n LEU 16 CO 0.26 0.13 0.74 0.25 -1.33 0.00 0.00 177.39 177.45 3fac h LEU 17 N 6.32 -0.55 -5.96 2.23 5.85 -1.70 -3.34 115.31 118.17 3fac h LEU 17 Ca -0.44 0.08 -0.49 0.00 0.84 0.00 0.00 57.88 57.87 3fac h LEU 17 Cb 1.21 0.23 -0.40 0.00 0.37 0.00 0.00 40.66 42.07 3fac h LEU 17 CO 0.92 -0.25 -1.15 -3.20 -0.34 0.00 0.00 178.44 174.42 3fac n ASN 18 N -5.32 1.04 0.00 1.25 5.15 -1.26 -5.06 115.26 111.06 3fac n ASN 18 Ca -0.05 -3.03 0.00 0.00 -0.60 0.00 0.00 54.58 50.90 3fac n ASN 18 Cb 0.23 -0.62 0.00 0.00 -0.53 0.00 0.00 39.78 38.87 3fac n ASN 18 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3fac n GLY 19 N 0.33 1.96 1.13 8.20 0.00 -1.26 -2.51 105.19 113.05 3fac n GLY 19 Ca 0.25 -0.24 0.03 0.00 0.00 0.00 0.00 46.02 46.05 3fac n GLY 19 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3fac n PHE 20 N 14.00 1.22 0.27 1.61 3.72 -1.26 -4.71 117.46 132.31 3fac n PHE 20 Ca 0.00 -1.14 -0.15 0.00 -0.05 0.00 0.00 57.45 56.11 3fac n PHE 20 Cb 0.00 -0.42 -0.08 0.00 -0.94 0.00 0.00 39.48 38.04 3fac n PHE 20 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3fac h ALA 21 N 1.67 -0.69 -0.16 4.37 0.00 -1.93 -3.18 119.26 119.34 3fac h ALA 21 Ca 0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3fac h ALA 21 Cb 1.65 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 3fac h ALA 21 CO 0.35 -0.77 0.04 -0.40 0.00 0.00 0.00 179.25 178.48 3fac n ASP 22 N -5.30 2.42 -4.69 0.00 5.68 -1.26 -4.94 116.55 108.47 3fac n ASP 22 Ca -0.11 -2.27 -0.44 0.00 -0.50 0.00 0.00 54.79 51.47 3fac n ASP 22 Cb 0.32 -0.55 -0.04 0.00 -1.14 0.00 0.00 41.12 39.71 3fac n ASP 22 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3fac n ALA 23 N 0.14 1.89 -3.40 2.12 0.00 -1.20 -4.88 120.51 115.18 3fac n ALA 23 Ca 0.09 0.37 -0.06 0.00 0.00 0.00 0.00 53.44 53.83 3fac n ALA 23 Cb 0.56 -2.49 -0.02 0.00 0.00 0.00 0.00 19.45 17.50 3fac n ALA 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3fac n ARG 24 N 4.74 0.21 -3.68 0.00 1.74 -1.04 -4.39 116.66 114.23 3fac n ARG 24 Ca 0.18 -1.06 -0.23 0.00 -0.77 0.00 0.00 57.85 55.96 3fac n ARG 24 Cb 0.33 0.96 -0.17 0.00 -1.02 0.00 0.00 32.46 32.55 3fac n ARG 24 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3fac s ARG 25 N -2.36 0.17 0.26 5.56 0.52 -0.53 -1.85 118.95 120.72 3fac s ARG 25 Ca 0.12 0.10 -0.30 0.00 -0.52 0.00 0.00 55.73 55.13 3fac s ARG 25 Cb 0.00 -1.19 -0.09 0.00 0.52 0.00 0.00 34.95 34.19 3fac s ARG 25 CO 0.08 -0.47 1.02 0.00 0.02 0.00 0.00 175.30 175.96 3fac n ASP 27 N 1.38 3.34 -4.62 0.00 5.75 -1.25 -3.34 116.55 117.80 3fac n ASP 27 Ca -0.01 -3.28 -0.29 0.00 -0.01 0.00 0.00 54.79 51.20 3fac n ASP 27 Cb 0.46 -0.57 0.19 0.00 -1.03 0.00 0.00 41.12 40.17 3fac n ASP 27 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fac h SER 29 N -2.07 0.05 0.00 0.00 4.64 -2.00 -1.58 113.55 112.58 3fac h SER 29 Ca -0.55 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.75 3fac h SER 29 Cb 1.32 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3fac h SER 29 CO 0.53 0.02 -0.40 0.15 -0.87 0.00 0.00 176.83 176.26 3fac h PHE 30 N 0.05 0.00 -0.99 4.77 3.57 -1.96 -3.35 116.94 119.02 3fac h PHE 30 Ca 0.38 0.00 0.16 0.00 3.53 0.00 0.00 57.97 62.04 3fac h PHE 30 Cb 1.46 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 40.11 3fac h PHE 30 CO -0.00 0.17 0.62 0.00 -2.23 0.00 0.00 178.31 176.87 3fac h ARG 32 N 0.84 0.33 -0.04 0.00 0.11 -1.29 0.22 114.38 114.56 3fac h ARG 32 Ca 0.53 -0.03 -0.23 0.00 0.10 0.00 0.00 59.98 60.34 3fac h ARG 32 Cb 0.73 -0.07 0.01 0.00 1.11 0.00 0.00 29.97 31.75 3fac h ARG 32 CO -0.31 0.28 -0.92 0.00 0.10 0.00 0.00 179.97 179.12 3fac h ARG 33 N 0.34 0.58 -0.58 0.08 3.08 -0.89 -3.07 114.38 113.92 3fac h ARG 33 Ca 0.09 -0.57 -0.11 0.00 0.07 0.00 0.00 59.98 59.45 3fac h ARG 33 Cb 0.08 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 3fac h ARG 33 CO -0.01 1.19 -0.06 0.00 -1.07 0.00 0.00 179.97 180.03 3fac h ARG 34 N 0.35 1.06 -5.98 0.04 3.08 -0.61 -3.47 114.38 108.85 3fac h ARG 34 Ca -0.09 -0.36 -0.40 0.00 0.07 0.00 0.00 59.98 59.20 3fac h ARG 34 Cb 1.56 -0.08 0.08 0.00 0.08 0.00 0.00 29.97 31.61 3fac h ARG 34 CO 0.17 1.06 -0.79 0.41 -1.07 0.00 0.00 179.97 179.75 3fac n GLY 35 N -0.35 -0.36 3.41 0.04 0.00 0.69 -5.02 105.19 103.60 3fac n GLY 35 Ca 0.02 0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 3fac n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fac s ALA 36 N -3.50 2.41 -0.09 4.61 0.00 -1.26 -5.11 121.76 118.82 3fac s ALA 36 Ca 0.15 -1.75 -0.21 0.00 0.00 0.00 0.00 51.96 50.15 3fac s ALA 36 Cb -0.07 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 3fac s ALA 36 CO 0.78 0.21 0.59 0.42 0.00 0.00 0.00 175.76 177.76 3fac s ILE 37 N -2.59 5.12 0.06 0.00 1.01 -1.26 -4.69 121.20 118.85 3fac s ILE 37 Ca 0.26 1.20 0.08 0.00 0.00 0.00 0.00 60.65 62.18 3fac s ILE 37 Cb -0.04 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 3fac s ILE 37 CO 0.11 0.29 -0.20 0.00 0.00 0.00 0.00 174.94 175.14 3fac s ALA 38 N 0.70 2.53 0.04 9.38 0.00 -0.77 -1.53 121.76 132.11 3fac s ALA 38 Ca 0.32 -1.25 0.06 0.00 0.00 0.00 0.00 51.96 51.08 3fac s ALA 38 Cb -0.16 -0.65 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 3fac s ALA 38 CO 0.14 0.57 -0.17 0.00 0.00 0.00 0.00 175.76 176.30 3fac s ALA 39 N -0.95 1.39 0.58 0.00 0.00 -0.98 -2.50 121.76 119.30 3fac s ALA 39 Ca 0.14 -0.91 -0.15 0.00 0.00 0.00 0.00 51.96 51.05 3fac s ALA 39 Cb -0.10 -0.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.73 3fac s ALA 39 CO 0.05 0.29 1.03 0.99 0.00 0.00 0.00 175.76 178.12 3fac s THR 40 N -0.82 4.12 -0.29 0.00 2.01 -1.26 -1.23 115.64 118.18 3fac s THR 40 Ca 0.04 0.96 -0.16 0.00 0.31 0.00 0.00 61.69 62.84 3fac s THR 40 Cb -0.08 -3.53 0.12 0.00 0.01 0.00 0.00 72.50 69.02 3fac s THR 40 CO 0.01 -0.64 0.83 0.00 -0.69 0.00 0.00 174.62 174.14 3fac s ALA 41 N -2.61 -2.10 0.69 7.40 0.00 -0.97 -1.80 121.76 122.37 3fac s ALA 41 Ca 0.61 2.31 -0.17 0.00 0.00 0.00 0.00 51.96 54.71 3fac s ALA 41 Cb -0.13 -1.60 0.01 0.00 0.00 0.00 0.00 23.12 21.39 3fac s ALA 41 CO 0.38 -0.41 1.17 0.54 0.00 0.00 0.00 175.76 177.43 3fac n ARG 42 N 4.11 0.79 -0.00 0.00 1.74 -1.26 0.17 116.66 122.21 3fac n ARG 42 Ca -0.19 0.33 0.09 0.00 -0.77 0.00 0.00 57.85 57.32 3fac n ARG 42 Cb 0.58 -2.40 0.51 0.00 -1.02 0.00 0.00 32.46 30.12 3fac n ARG 42 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3fac h LEU 43 N 0.09 0.32 -0.39 0.55 3.38 -1.77 0.20 115.31 117.69 3fac h LEU 43 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3fac h LEU 43 Cb 1.33 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3fac h LEU 43 CO 0.50 0.21 0.00 -1.54 0.09 0.00 0.00 178.44 177.70 3fac n SER 44 N -4.47 0.59 -0.17 -0.43 3.41 -1.26 -3.51 113.62 107.78 3fac n SER 44 Ca 0.06 -1.57 0.04 0.00 -0.26 0.00 0.00 58.87 57.13 3fac n SER 44 Cb 0.25 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 3fac n SER 44 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3fac n ASP 45 N -0.37 1.04 -4.15 4.04 8.00 0.05 -4.98 116.55 120.18 3fac n ASP 45 Ca 0.14 -1.02 -0.29 0.00 0.71 0.00 0.00 54.79 54.33 3fac n ASP 45 Cb 0.15 0.45 -0.17 0.00 -0.02 0.00 0.00 41.12 41.54 3fac n ASP 45 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3fac s LEU 46 N -1.40 1.92 -0.07 0.64 0.20 -1.18 -0.87 118.68 117.93 3fac s LEU 46 Ca 0.06 -0.45 -0.10 0.00 0.69 0.00 0.00 54.13 54.33 3fac s LEU 46 Cb 0.06 -1.17 0.02 0.00 -0.43 0.00 0.00 46.19 44.67 3fac s LEU 46 CO 0.18 0.12 0.25 0.00 -0.29 0.00 0.00 176.35 176.61 3fac s ARG 47 N 0.38 0.39 -0.15 1.98 1.70 0.04 -4.96 118.95 118.33 3fac s ARG 47 Ca -0.15 0.16 -0.29 0.00 -0.47 0.00 0.00 55.73 54.97 3fac s ARG 47 Cb -0.16 0.18 -0.01 0.00 -0.57 0.00 0.00 34.95 34.39 3fac s ARG 47 CO 0.06 -0.07 1.10 0.08 -1.08 0.00 0.00 175.30 175.38 3fac s VAL 48 N -0.33 4.57 -0.01 4.99 1.01 -1.26 -0.53 120.40 128.83 3fac s VAL 48 Ca -0.04 1.87 0.02 0.00 0.00 0.00 0.00 61.98 63.83 3fac s VAL 48 Cb -0.03 -4.21 -0.25 0.00 0.00 0.00 0.00 36.38 31.89 3fac s VAL 48 CO 0.01 -0.08 0.80 0.58 0.00 0.00 0.00 175.10 176.41 3fac h VAL 49 N 5.27 1.08 -2.46 2.92 2.07 -0.38 -3.47 116.25 121.28 3fac h VAL 49 Ca -0.27 -2.80 -0.01 0.00 0.82 0.00 0.00 66.70 64.45 3fac h VAL 49 Cb 1.11 2.65 -0.16 0.00 -1.52 0.00 0.00 31.29 33.37 3fac h VAL 49 CO 0.92 0.75 0.27 -0.60 0.02 0.00 0.00 177.57 178.94 3fac s ARG 50 N -2.62 1.09 0.00 1.57 3.52 -0.45 -4.96 118.95 117.10 3fac s ARG 50 Ca -0.08 -0.16 0.00 0.00 -0.13 0.00 0.00 55.73 55.36 3fac s ARG 50 Cb 0.08 0.51 0.00 0.00 -1.56 0.00 0.00 34.95 33.97 3fac s ARG 50 CO 0.83 -0.43 0.00 0.41 -0.81 0.00 0.00 175.30 175.30 3fac n GLY 51 N 0.15 0.74 0.33 8.12 0.00 -1.23 -1.05 105.19 112.25 3fac n GLY 51 Ca -0.16 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.08 3fac n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fac h ALA 52 N 0.00 1.82 0.00 4.61 0.00 -1.92 1.20 119.26 124.97 3fac h ALA 52 Ca 0.00 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3fac h ALA 52 Cb 0.00 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3fac h ALA 52 CO 0.00 -0.55 -0.02 1.05 0.00 0.00 0.00 179.25 179.73 3fac h GLU 53 N 0.31 0.00 -0.15 0.00 9.09 -1.98 -2.04 114.58 119.81 3fac h GLU 53 Ca 0.70 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.11 3fac h GLU 53 Cb 1.56 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.66 3fac h GLU 53 CO -0.62 0.02 0.00 -1.71 0.05 0.00 0.00 179.01 176.76 3fac n ASN 54 N -3.20 2.21 -4.80 3.06 4.05 0.41 -4.88 115.26 112.11 3fac n ASN 54 Ca -0.02 -1.76 -0.38 0.00 0.45 0.00 0.00 54.58 52.87 3fac n ASN 54 Cb 0.18 -0.09 -0.06 0.00 1.23 0.00 0.00 39.78 41.04 3fac n ASN 54 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3fac s LEU 55 N -1.74 4.43 -0.12 1.20 1.43 -0.77 -0.90 118.68 122.21 3fac s LEU 55 Ca 0.34 0.96 -0.06 0.00 -1.03 0.00 0.00 54.13 54.34 3fac s LEU 55 Cb 0.20 -2.66 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 3fac s LEU 55 CO 0.30 0.23 0.11 -0.89 0.23 0.00 0.00 176.35 176.33 3fac s THR 56 N -0.62 5.27 -0.18 5.49 2.01 0.04 -4.89 115.64 122.76 3fac s THR 56 Ca 0.25 0.12 -0.07 0.00 0.31 0.00 0.00 61.69 62.30 3fac s THR 56 Cb -0.17 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 3fac s THR 56 CO 0.13 0.60 0.06 -0.22 -0.69 0.00 0.00 174.62 174.49 3fac s LEU 57 N -0.83 3.75 -0.04 4.42 2.96 -1.26 -2.27 118.68 125.40 3fac s LEU 57 Ca 0.14 0.05 0.03 0.00 -0.22 0.00 0.00 54.13 54.13 3fac s LEU 57 Cb -0.12 -1.95 0.00 0.00 0.50 0.00 0.00 46.19 44.62 3fac s LEU 57 CO 0.03 0.16 -0.14 -0.47 -1.32 0.00 0.00 176.35 174.61 3fac s TYR 58 N 0.45 1.42 0.04 5.38 5.04 -0.10 -5.00 117.35 124.59 3fac s TYR 58 Ca 0.03 -0.42 -0.00 0.00 -2.44 0.00 0.00 57.07 54.24 3fac s TYR 58 Cb -0.13 -0.98 -0.03 0.00 0.35 0.00 0.00 41.96 41.17 3fac s TYR 58 CO 0.01 -0.16 -0.03 -0.65 -1.34 0.00 0.00 175.55 173.37 3fac s GLN 59 N 0.20 0.47 0.18 4.97 -0.21 -1.26 -2.03 119.66 121.98 3fac s GLN 59 Ca -0.06 -0.94 -0.24 0.00 0.02 0.00 0.00 55.36 54.15 3fac s GLN 59 Cb -0.11 0.16 0.05 0.00 1.00 0.00 0.00 33.01 34.11 3fac s GLN 59 CO 0.02 -0.08 0.84 -0.59 -2.12 0.00 0.00 175.29 173.36 3fac s PHE 60 N -2.76 -0.22 0.00 0.91 -0.12 -1.26 -4.98 117.98 109.55 3fac s PHE 60 Ca -0.04 -0.11 0.00 0.00 -0.05 0.00 0.00 56.93 56.73 3fac s PHE 60 Cb -0.00 0.64 0.00 0.00 -0.63 0.00 0.00 43.02 43.03 3fac s PHE 60 CO -0.06 -0.93 0.00 0.41 -0.05 0.00 0.00 175.22 174.59 3fac n GLY 61 N -0.43 3.14 0.26 1.99 0.00 -1.26 -1.20 105.19 107.68 3fac n GLY 61 Ca -0.07 -0.17 0.17 0.00 0.00 0.00 0.00 46.02 45.95 3fac n GLY 61 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3fac h THR 62 N 0.00 0.00 -0.57 2.61 1.35 -1.99 -3.44 112.91 110.87 3fac h THR 62 Ca 0.00 -0.00 -0.23 0.00 -0.55 0.00 0.00 66.41 65.63 3fac h THR 62 Cb 0.00 0.76 -0.09 0.00 -1.73 0.00 0.00 68.15 67.09 3fac h THR 62 CO 0.00 0.00 -0.20 0.54 -0.25 0.00 0.00 175.52 175.61 3fac n ARG 63 N -2.69 -1.70 -0.01 4.72 1.74 -0.34 -4.81 116.66 113.57 3fac n ARG 63 Ca -0.02 0.87 -0.13 0.00 -0.77 0.00 0.00 57.85 57.80 3fac n ARG 63 Cb 0.05 -5.26 -0.10 0.00 -1.02 0.00 0.00 32.46 26.13 3fac n ARG 63 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3fac h THR 64 N 0.00 1.39 -4.18 0.55 2.02 -1.86 -3.46 112.91 107.36 3fac h THR 64 Ca -0.23 -1.43 -0.52 0.00 0.77 0.00 0.00 66.41 65.01 3fac h THR 64 Cb 1.16 2.32 0.12 0.00 -1.74 0.00 0.00 68.15 70.01 3fac h THR 64 CO 0.33 0.36 0.39 0.00 0.37 0.00 0.00 175.52 176.96 3fac s ALA 65 N -3.67 2.32 -0.08 6.16 0.00 -1.26 -4.96 121.76 120.28 3fac s ALA 65 Ca -0.16 0.71 0.01 0.00 0.00 0.00 0.00 51.96 52.52 3fac s ALA 65 Cb 0.00 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.75 3fac s ALA 65 CO 0.64 -1.51 -0.09 0.15 0.00 0.00 0.00 175.76 174.94 3fac s LYS 66 N -3.96 1.52 -0.07 0.00 1.02 -1.07 -4.71 119.74 112.46 3fac s LYS 66 Ca 0.71 -0.31 0.03 0.00 0.02 0.00 0.00 55.97 56.42 3fac s LYS 66 Cb -0.25 -1.41 -0.02 0.00 -0.52 0.00 0.00 37.83 35.64 3fac s LYS 66 CO 0.42 -0.11 -0.17 -1.01 -0.92 0.00 0.00 175.35 173.56 3fac s HIS 67 N 1.13 2.65 0.06 3.18 3.76 -0.86 0.02 115.29 125.23 3fac s HIS 67 Ca -0.06 -0.45 0.07 0.00 -0.15 0.00 0.00 55.06 54.47 3fac s HIS 67 Cb -0.14 -1.68 -0.03 0.00 1.11 0.00 0.00 32.58 31.84 3fac s HIS 67 CO -0.02 -0.04 -0.20 -1.58 -0.85 0.00 0.00 174.74 172.06 3fac s TRP 68 N -0.27 1.73 -0.17 1.40 0.51 -0.75 -0.92 118.94 120.46 3fac s TRP 68 Ca 0.01 -0.38 -0.22 0.00 -2.12 0.00 0.00 56.10 53.39 3fac s TRP 68 Cb -0.13 -1.01 0.06 0.00 -0.81 0.00 0.00 33.47 31.58 3fac s TRP 68 CO 0.03 0.11 0.58 -0.59 -0.51 0.00 0.00 176.95 176.57 3fac s PHE 69 N -0.91 -0.60 0.25 -1.98 -0.12 -0.96 -3.04 117.98 110.62 3fac s PHE 69 Ca 0.06 1.37 -0.31 0.00 -0.05 0.00 0.00 56.93 58.00 3fac s PHE 69 Cb -0.09 0.24 -0.12 0.00 -0.63 0.00 0.00 43.02 42.42 3fac s PHE 69 CO 0.02 -0.37 1.57 0.00 -0.05 0.00 0.00 175.22 176.39 3fac n ARG 71 N 2.55 0.22 -0.06 0.00 1.85 -0.08 -1.21 116.66 119.92 3fac n ARG 71 Ca 0.11 -0.02 -0.05 0.00 -1.00 0.00 0.00 57.85 56.90 3fac n ARG 71 Cb 0.34 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.24 3fac n ARG 71 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 3fac n THR 72 N -1.38 1.03 1.08 8.89 -1.04 -1.26 -4.58 114.28 117.03 3fac n THR 72 Ca 0.10 0.27 0.13 0.00 -2.04 0.00 0.00 64.05 62.51 3fac n THR 72 Cb 0.30 -2.11 0.35 0.00 -1.82 0.00 0.00 70.33 67.05 3fac n THR 72 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3fac n GLY 74 N 1.45 0.88 3.67 0.00 0.00 -0.35 -4.97 105.19 105.87 3fac n GLY 74 Ca 0.08 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 3fac n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fac s ILE 75 N -2.55 4.98 -0.02 -0.61 -1.09 -1.24 -4.71 121.20 115.95 3fac s ILE 75 Ca 0.00 1.34 -0.30 0.00 -2.23 0.00 0.00 60.65 59.47 3fac s ILE 75 Cb 0.00 -4.01 -0.06 0.00 -1.58 0.00 0.00 42.46 36.81 3fac s ILE 75 CO 0.00 0.10 1.68 -0.47 -1.23 0.00 0.00 174.94 175.02 3fac s TYR 76 N 1.88 2.01 -0.24 3.97 5.04 -1.26 -1.88 117.35 126.86 3fac s TYR 76 Ca 0.32 0.17 -0.15 0.00 -2.44 0.00 0.00 57.07 54.96 3fac s TYR 76 Cb -0.16 -3.95 -0.10 0.00 0.35 0.00 0.00 41.96 38.10 3fac s TYR 76 CO 0.12 -3.99 -0.34 0.25 -1.34 0.00 0.00 175.55 170.24 3fac n THR 77 N 5.33 1.52 -3.82 4.34 -2.24 -1.17 -4.63 114.28 113.60 3fac n THR 77 Ca 0.17 -0.20 -0.06 0.00 -2.27 0.00 0.00 64.05 61.69 3fac n THR 77 Cb 0.42 -2.04 -0.01 0.00 -2.10 0.00 0.00 70.33 66.60 3fac n THR 77 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 3fac s HIS 78 N -2.63 -0.12 -0.15 4.78 -3.43 -1.25 -1.82 115.29 110.67 3fac s HIS 78 Ca -0.35 -0.32 -0.23 0.00 -0.80 0.00 0.00 55.06 53.36 3fac s HIS 78 Cb 0.11 0.71 0.06 0.00 -1.43 0.00 0.00 32.58 32.02 3fac s HIS 78 CO 0.47 -1.15 0.58 -3.38 -2.00 0.00 0.00 174.74 169.27 3fac s HIS 79 N -3.45 -0.59 -0.38 0.38 -3.43 -0.72 -1.82 115.29 105.28 3fac s HIS 79 Ca 0.12 1.29 -0.29 0.00 -0.80 0.00 0.00 55.06 55.39 3fac s HIS 79 Cb -0.04 0.26 0.02 0.00 -1.43 0.00 0.00 32.58 31.39 3fac s HIS 79 CO 0.06 -0.41 1.09 -1.14 -2.00 0.00 0.00 174.74 172.34 3fac s GLN 80 N -0.34 3.93 0.62 -0.38 0.74 0.10 -0.48 119.66 123.85 3fac s GLN 80 Ca -0.05 0.86 -0.17 0.00 0.05 0.00 0.00 55.36 56.04 3fac s GLN 80 Cb -0.03 -3.80 -0.06 0.00 1.10 0.00 0.00 33.01 30.22 3fac s GLN 80 CO 0.04 -1.08 0.66 0.54 -0.55 0.00 0.00 175.29 174.91 3fac n ARG 81 N 7.21 0.55 -0.10 1.67 1.74 -0.15 -2.61 116.66 124.98 3fac n ARG 81 Ca 0.12 0.22 -0.20 0.00 -0.77 0.00 0.00 57.85 57.22 3fac n ARG 81 Cb 0.48 -1.88 -0.11 0.00 -1.02 0.00 0.00 32.46 29.92 3fac n ARG 81 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3fac h ARG 82 N 0.12 0.00 -0.38 5.56 2.43 -1.92 -3.30 114.38 116.89 3fac h ARG 82 Ca -0.46 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 58.81 3fac h ARG 82 Cb 1.38 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.91 3fac h ARG 82 CO 0.47 0.96 0.37 0.66 -1.51 0.00 0.00 179.97 180.93 3fac h SER 83 N -1.00 0.00 -2.13 -3.80 4.64 -1.98 -3.34 113.55 105.93 3fac h SER 83 Ca -0.28 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.69 3fac h SER 83 Cb 1.22 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.98 3fac h SER 83 CO -0.17 0.00 -0.66 0.21 -0.87 0.00 0.00 176.83 175.35 3fac s ASN 84 N -5.57 1.65 0.00 4.97 3.84 -1.26 -5.00 114.94 113.57 3fac s ASN 84 Ca -0.04 -0.99 0.01 0.00 0.21 0.00 0.00 52.86 52.04 3fac s ASN 84 Cb 0.16 0.47 0.04 0.00 -0.55 0.00 0.00 41.25 41.37 3fac s ASN 84 CO 0.58 -0.36 0.49 -2.65 -2.79 0.00 0.00 177.10 172.37 3fac n PRO 85 N 5.04 0.02 -0.20 0.43 -0.02 -1.24 -1.67 135.00 137.36 3fac n PRO 85 Ca 0.01 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.55 3fac n PRO 85 Cb 0.46 -1.45 0.18 0.00 -0.02 0.00 0.00 33.50 32.66 3fac n PRO 85 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3fac n GLU 86 N -0.95 2.86 -4.14 -0.52 -0.58 -1.26 -4.93 120.64 111.12 3fac n GLU 86 Ca 0.00 -2.14 -0.16 0.00 -0.42 0.00 0.00 57.16 54.45 3fac n GLU 86 Cb 0.00 -1.31 -0.11 0.00 -0.57 0.00 0.00 31.44 29.44 3fac n GLU 86 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3fac s GLU 87 N -1.03 0.74 0.22 3.49 2.02 -0.67 -2.20 118.70 121.27 3fac s GLU 87 Ca 0.27 -0.95 0.08 0.00 0.02 0.00 0.00 54.97 54.39 3fac s GLU 87 Cb 0.14 -0.59 -0.04 0.00 0.10 0.00 0.00 34.13 33.74 3fac s GLU 87 CO 0.18 0.12 0.06 0.71 0.02 0.00 0.00 175.26 176.35 3fac s TYR 88 N -1.61 2.90 -0.09 1.61 2.02 0.13 -0.98 117.35 121.33 3fac s TYR 88 Ca -0.03 -0.14 0.03 0.00 -0.37 0.00 0.00 57.07 56.56 3fac s TYR 88 Cb -0.08 -1.34 -0.01 0.00 -0.40 0.00 0.00 41.96 40.13 3fac s TYR 88 CO 0.01 0.55 -0.19 0.20 -1.57 0.00 0.00 175.55 174.55 3fac s GLY 89 N -3.42 1.42 -0.10 0.71 0.00 0.36 -2.29 107.32 104.00 3fac s GLY 89 Ca 0.30 -0.96 0.02 0.00 0.00 0.00 0.00 44.72 44.08 3fac s GLY 89 CO 0.21 -0.41 -0.15 0.14 0.00 0.00 0.00 173.10 172.88 3fac s VAL 90 N 0.09 1.47 -0.41 1.40 1.01 -0.36 -1.75 120.40 121.84 3fac s VAL 90 Ca -0.09 -0.64 -0.27 0.00 0.00 0.00 0.00 61.98 60.98 3fac s VAL 90 Cb -0.15 -1.33 -0.07 0.00 0.00 0.00 0.00 36.38 34.83 3fac s VAL 90 CO 0.06 0.43 2.36 -3.20 0.00 0.00 0.00 175.10 174.75 3fac n ASN 91 N 4.04 2.57 -0.17 3.32 2.85 -0.76 -2.31 115.26 124.80 3fac n ASN 91 Ca -0.20 -0.28 0.21 0.00 -0.11 0.00 0.00 54.58 54.20 3fac n ASN 91 Cb 0.52 -1.56 0.59 0.00 1.24 0.00 0.00 39.78 40.56 3fac n ASN 91 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 3fac h VAL 92 N 7.54 0.68 0.00 3.44 -1.51 -1.62 -1.28 116.25 123.50 3fac h VAL 92 Ca -0.29 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 3fac h VAL 92 Cb 1.26 0.41 0.00 0.00 -2.13 0.00 0.00 31.29 30.83 3fac h VAL 92 CO 1.10 0.05 0.00 0.00 -1.23 0.00 0.00 177.57 177.49 3fac h ALA 93 N 1.62 1.00 0.00 5.19 0.00 -1.81 -2.40 119.26 122.86 3fac h ALA 93 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3fac h ALA 93 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3fac h ALA 93 CO -0.10 0.00 -0.68 -0.84 0.00 0.00 0.00 179.25 177.63 3fac h ILE 94 N 0.00 0.00 -2.96 0.00 3.07 -1.49 -3.47 117.51 112.66 3fac h ILE 94 Ca 0.00 -0.70 -0.54 0.00 1.55 0.00 0.00 64.86 65.16 3fac h ILE 94 Cb 0.20 1.30 -0.01 0.00 -0.27 0.00 0.00 36.82 38.04 3fac h ILE 94 CO 0.00 0.00 0.79 -0.76 -1.05 0.00 0.00 178.15 177.13 3fac s LEU 95 N -4.77 4.31 -0.15 0.16 1.43 -0.90 -1.36 118.68 117.39 3fac s LEU 95 Ca 0.04 2.05 -0.40 0.00 -1.03 0.00 0.00 54.13 54.80 3fac s LEU 95 Cb 0.11 -3.56 -0.17 0.00 0.03 0.00 0.00 46.19 42.60 3fac s LEU 95 CO 0.74 -0.68 1.51 1.21 0.23 0.00 0.00 176.35 179.36 3fac n GLU 96 N 5.24 0.86 -1.00 1.70 2.13 -0.20 -1.55 120.64 127.83 3fac n GLU 96 Ca 0.12 0.31 0.00 0.00 0.66 0.00 0.00 57.16 58.26 3fac n GLU 96 Cb 0.44 -1.94 0.00 0.00 0.27 0.00 0.00 31.44 30.22 3fac n GLU 96 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3fac n GLY 97 N 3.30 0.46 3.18 8.31 0.00 -1.26 -4.96 105.19 114.21 3fac n GLY 97 Ca 0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 3fac n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fac s VAL 98 N -1.94 3.49 -0.41 1.61 1.01 -0.59 -5.05 120.40 118.51 3fac s VAL 98 Ca 0.00 -1.65 -0.22 0.00 0.00 0.00 0.00 61.98 60.11 3fac s VAL 98 Cb 0.00 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.20 3fac s VAL 98 CO 0.00 -0.46 0.72 0.21 0.00 0.00 0.00 175.10 175.58 3fac s ASN 99 N 1.72 6.43 0.57 3.32 3.84 -1.26 -4.55 114.94 125.00 3fac s ASN 99 Ca 0.03 0.02 0.34 0.00 0.21 0.00 0.00 52.86 53.46 3fac s ASN 99 Cb -0.22 -2.36 1.46 0.00 -0.55 0.00 0.00 41.25 39.58 3fac s ASN 99 CO -0.01 -0.77 1.75 1.55 -2.79 0.00 0.00 177.10 176.82 3fac h PRO 100 N 8.72 0.00 -0.82 0.43 0.13 -1.92 -0.27 132.00 138.27 3fac h PRO 100 Ca -0.25 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.91 3fac h PRO 100 Cb 1.10 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.18 3fac h PRO 100 CO 0.91 0.00 0.54 -0.09 -0.23 0.00 0.00 178.00 179.13 3fac h ARG 101 N 0.00 0.97 0.00 0.86 2.43 -1.95 -1.90 114.38 114.79 3fac h ARG 101 Ca 0.49 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 3fac h ARG 101 Cb 2.17 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 31.50 3fac h ARG 101 CO -0.01 0.64 0.00 -0.25 -1.51 0.00 0.00 179.97 178.85 3fac n ASP 102 N -4.45 0.00 0.11 -3.80 8.00 -0.11 -1.98 116.55 114.32 3fac n ASP 102 Ca 0.11 -0.64 0.12 0.00 0.71 0.00 0.00 54.79 55.09 3fac n ASP 102 Cb 0.12 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.33 3fac n ASP 102 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3fac h LEU 103 N 0.00 0.00 0.00 0.64 3.38 -1.50 -3.50 115.31 114.33 3fac h LEU 103 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3fac h LEU 103 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3fac h LEU 103 CO 0.00 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.18 3fac n GLY 104 N 1.23 -0.46 3.65 0.83 0.00 -0.84 -4.68 105.19 104.93 3fac n GLY 104 Ca 0.02 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 3fac n GLY 104 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3fac s GLU 105 N 0.00 4.05 0.10 1.61 2.56 -1.26 -4.99 118.70 120.78 3fac s GLU 105 Ca 0.00 2.55 0.10 0.00 0.00 0.00 0.00 54.97 57.62 3fac s GLU 105 Cb 0.00 -4.18 -0.04 0.00 2.00 0.00 0.00 34.13 31.92 3fac s GLU 105 CO 0.00 -1.05 -0.25 0.14 -0.56 0.00 0.00 175.26 173.54 3fac s VAL 106 N 4.78 2.36 0.86 3.70 -7.23 -1.26 -5.14 120.40 118.47 3fac s VAL 106 Ca 0.89 -1.57 -0.12 0.00 -1.81 0.00 0.00 61.98 59.37 3fac s VAL 106 Cb -0.41 -2.01 0.11 0.00 0.56 0.00 0.00 36.38 34.62 3fac s VAL 106 CO 0.41 0.19 1.10 -2.16 -0.31 0.00 0.00 175.10 174.32 3fac s PRO 107 N -1.80 1.55 -0.09 4.82 0.04 -1.26 -4.88 135.00 133.37 3fac s PRO 107 Ca 0.14 0.70 -0.00 0.00 0.04 0.00 0.00 61.00 61.87 3fac s PRO 107 Cb -0.10 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 3fac s PRO 107 CO 0.05 -2.01 -0.06 -1.58 0.04 0.00 0.00 177.00 173.44 3fac s TRP 108 N -3.05 2.96 -2.66 0.56 0.52 -1.26 -1.46 118.94 114.55 3fac s TRP 108 Ca 0.62 -0.09 0.27 0.00 0.02 0.00 0.00 56.10 56.92 3fac s TRP 108 Cb -0.16 -1.78 0.77 0.00 -1.15 0.00 0.00 33.47 31.14 3fac s TRP 108 CO 0.56 0.21 1.59 2.41 0.02 0.00 0.00 176.95 181.73