#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 4.63 -0.03 2.12 2.20 -1.26 -2.60 119.74 124.80 3fac s LYS 2 Ca 0.00 1.24 0.05 0.00 -0.36 0.00 0.00 55.97 56.90 3fac s LYS 2 Cb 0.00 -3.30 -0.01 0.00 -1.51 0.00 0.00 37.83 33.01 3fac s LYS 2 CO 0.00 0.45 -0.16 0.20 -0.36 0.00 0.00 175.35 175.48 3fac s GLY 3 N -0.77 0.85 -0.12 5.54 0.00 -1.01 0.02 107.32 111.83 3fac s GLY 3 Ca 0.39 -0.69 -0.11 0.00 0.00 0.00 0.00 44.72 44.31 3fac s GLY 3 CO 0.27 -0.46 0.33 -0.51 0.00 0.00 0.00 173.10 172.73 3fac s THR 4 N -0.16 0.00 1.13 0.90 -4.23 -0.84 -0.53 115.64 111.90 3fac s THR 4 Ca 0.01 -0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.33 3fac s THR 4 Cb -0.09 -0.46 0.26 0.00 1.34 0.00 0.00 72.50 73.55 3fac s THR 4 CO 0.01 -0.00 1.19 0.00 -0.54 0.00 0.00 174.62 175.27 3fac h HIS 6 N -2.30 -0.34 -1.11 0.00 2.76 -1.93 -2.87 115.15 109.36 3fac h HIS 6 Ca -0.44 -0.01 0.32 0.00 -2.20 0.00 0.00 60.37 58.04 3fac h HIS 6 Cb 1.27 0.11 -0.04 0.00 1.55 0.00 0.00 27.41 30.30 3fac h HIS 6 CO -1.95 0.01 0.85 0.00 -1.30 0.00 0.00 177.93 175.54 3fac n GLY 8 N -1.74 0.82 0.24 0.00 0.00 -1.08 -4.92 105.19 98.51 3fac n GLY 8 Ca 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.23 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 1.17 -3.45 4.61 0.00 -1.86 -3.44 119.26 116.30 3fac h ALA 9 Ca 0.00 -0.32 -0.66 0.00 0.00 0.00 0.00 54.91 53.93 3fac h ALA 9 Cb 0.00 -0.12 -0.20 0.00 0.00 0.00 0.00 17.79 17.47 3fac h ALA 9 CO 0.00 0.53 -0.68 0.08 0.00 0.00 0.00 179.25 179.18 3fac s VAL 10 N -4.57 3.83 -0.04 0.00 1.01 -1.26 -3.24 120.40 116.12 3fac s VAL 10 Ca -0.07 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.50 3fac s VAL 10 Cb 0.14 -2.62 0.03 0.00 0.00 0.00 0.00 36.38 33.93 3fac s VAL 10 CO 0.78 0.55 0.01 -0.70 0.00 0.00 0.00 175.10 175.74 3fac s GLU 11 N -0.26 0.32 0.40 2.72 2.12 0.02 -2.17 118.70 121.84 3fac s GLU 11 Ca 0.04 0.13 0.08 0.00 0.36 0.00 0.00 54.97 55.58 3fac s GLU 11 Cb -0.13 -0.61 -0.05 0.00 0.26 0.00 0.00 34.13 33.61 3fac s GLU 11 CO 0.02 -0.21 0.20 0.96 -0.54 0.00 0.00 175.26 175.70 3fac s ILE 12 N 1.43 2.51 -0.28 -3.70 -4.36 0.31 0.97 121.20 118.08 3fac s ILE 12 Ca -0.04 -1.65 -0.02 0.00 -0.26 0.00 0.00 60.65 58.68 3fac s ILE 12 Cb -0.13 -2.99 0.09 0.00 1.25 0.00 0.00 42.46 40.68 3fac s ILE 12 CO -0.03 -0.04 0.09 -0.70 0.24 0.00 0.00 174.94 174.51 3fac s GLU 13 N -3.92 0.57 0.05 0.37 -6.30 0.13 -2.39 118.70 107.20 3fac s GLU 13 Ca 0.41 -0.82 0.05 0.00 -2.50 0.00 0.00 54.97 52.12 3fac s GLU 13 Cb 0.01 -1.80 -0.02 0.00 0.00 0.00 0.00 34.13 32.32 3fac s GLU 13 CO 0.23 -0.93 -0.15 0.54 0.02 0.00 0.00 175.26 174.97 3fac s VAL 14 N 1.78 1.20 -0.23 3.70 0.11 -1.07 -0.95 120.40 124.94 3fac s VAL 14 Ca 0.08 -1.10 -0.04 0.00 -2.93 0.00 0.00 61.98 57.99 3fac s VAL 14 Cb -0.17 -1.09 -0.00 0.00 -1.53 0.00 0.00 36.38 33.59 3fac s VAL 14 CO -0.25 -0.02 -0.03 -1.61 -3.33 0.00 0.00 175.10 169.87 3fac s GLU 15 N -1.28 3.26 0.21 1.54 0.41 -0.41 -3.59 118.70 118.85 3fac s GLU 15 Ca 0.02 -0.70 -0.30 0.00 -0.41 0.00 0.00 54.97 53.58 3fac s GLU 15 Cb -0.08 -3.06 -0.09 0.00 -1.78 0.00 0.00 34.13 29.12 3fac s GLU 15 CO 0.02 -0.26 1.21 -0.51 -0.49 0.00 0.00 175.26 175.22 3fac s LEU 16 N 1.46 4.46 0.07 1.80 1.43 -1.26 -4.46 118.68 122.18 3fac s LEU 16 Ca 0.05 2.29 -0.37 0.00 -1.03 0.00 0.00 54.13 55.07 3fac s LEU 16 Cb -0.15 -3.61 -0.19 0.00 0.03 0.00 0.00 46.19 42.26 3fac s LEU 16 CO -0.03 -0.37 1.57 0.25 0.23 0.00 0.00 176.35 178.01 3fac h LEU 17 N 4.91 -1.21 -5.36 1.79 5.85 -1.83 -3.35 115.31 116.12 3fac h LEU 17 Ca -0.45 0.07 -0.51 0.00 0.84 0.00 0.00 57.88 57.82 3fac h LEU 17 Cb 1.21 0.35 -0.41 0.00 0.37 0.00 0.00 40.66 42.18 3fac h LEU 17 CO 0.73 -0.75 -0.95 -3.20 -0.34 0.00 0.00 178.44 173.94 3fac n ASN 18 N -5.62 2.74 0.00 1.25 5.15 -1.26 -5.08 115.26 112.43 3fac n ASN 18 Ca -0.15 -3.29 0.00 0.00 -0.60 0.00 0.00 54.58 50.54 3fac n ASN 18 Cb 0.50 -0.56 0.00 0.00 -0.53 0.00 0.00 39.78 39.19 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 -0.07 1.37 0.63 8.20 0.00 -1.26 -3.10 105.19 110.96 3fac n GLY 19 Ca 0.26 -0.47 0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 6.21 0.00 -0.41 1.61 3.72 -1.26 -4.49 117.46 122.83 3fac n PHE 20 Ca 0.00 0.00 0.35 0.00 -0.05 0.00 0.00 57.45 57.75 3fac n PHE 20 Cb 0.00 -0.01 0.67 0.00 -0.94 0.00 0.00 39.48 39.21 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 4.15 2.91 -0.26 4.37 0.00 -1.99 -1.03 119.26 127.42 3fac h ALA 21 Ca 0.00 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3fac h ALA 21 Cb 0.82 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.62 3fac h ALA 21 CO 0.00 -1.38 -0.29 -0.40 0.00 0.00 0.00 179.25 177.18 3fac n ASP 22 N -4.40 2.48 -4.60 0.00 5.68 -1.26 -5.01 116.55 109.44 3fac n ASP 22 Ca 0.32 -3.84 -0.43 0.00 -0.50 0.00 0.00 54.79 50.34 3fac n ASP 22 Cb 1.32 -0.58 -0.03 0.00 -1.14 0.00 0.00 41.12 40.70 3fac n ASP 22 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3fac s ALA 23 N -3.29 2.93 0.00 2.12 0.00 -0.39 -4.84 121.76 118.28 3fac s ALA 23 Ca 0.43 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.65 3fac s ALA 23 Cb 0.40 -3.99 0.00 0.00 0.00 0.00 0.00 23.12 19.53 3fac s ALA 23 CO -0.03 -2.53 0.00 0.54 0.00 0.00 0.00 175.76 173.74 3fac n ARG 24 N 8.32 3.69 -3.19 0.00 1.74 -1.14 -4.45 116.66 121.63 3fac n ARG 24 Ca 0.22 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.31 3fac n ARG 24 Cb 0.47 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.89 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 2.11 0.61 0.32 5.56 0.52 -1.12 -3.18 118.95 123.77 3fac s ARG 25 Ca 0.00 0.26 -0.29 0.00 -0.52 0.00 0.00 55.73 55.18 3fac s ARG 25 Cb 0.00 0.12 -0.11 0.00 0.52 0.00 0.00 34.95 35.48 3fac s ARG 25 CO 0.00 -1.09 1.55 0.00 0.02 0.00 0.00 175.30 175.78 3fac n ASP 27 N 1.52 3.36 -4.36 0.00 5.75 -1.22 -3.54 116.55 118.05 3fac n ASP 27 Ca 0.06 -3.11 -0.29 0.00 -0.01 0.00 0.00 54.79 51.44 3fac n ASP 27 Cb 0.37 -0.52 0.24 0.00 -1.03 0.00 0.00 41.12 40.18 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 -2.60 0.36 0.00 0.00 4.64 -1.99 -0.24 113.55 113.72 3fac h SER 29 Ca -0.58 0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 60.71 3fac h SER 29 Cb 1.34 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 3fac h SER 29 CO 0.49 0.12 -0.57 0.15 -0.87 0.00 0.00 176.83 176.15 3fac h PHE 30 N 0.34 0.00 -0.82 4.77 3.57 -1.96 -3.33 116.94 119.50 3fac h PHE 30 Ca 0.50 0.00 0.06 0.00 3.53 0.00 0.00 57.97 62.07 3fac h PHE 30 Cb 1.38 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.06 3fac h PHE 30 CO -0.00 0.67 0.54 0.00 -2.23 0.00 0.00 178.31 177.29 3fac h ARG 32 N 0.92 0.17 0.03 0.00 0.11 -1.08 -0.63 114.38 113.90 3fac h ARG 32 Ca 0.35 -0.01 -0.21 0.00 0.10 0.00 0.00 59.98 60.20 3fac h ARG 32 Cb 0.20 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.22 3fac h ARG 32 CO -0.12 0.13 -1.00 0.00 0.10 0.00 0.00 179.97 179.08 3fac h ARG 33 N 0.18 0.08 0.65 0.08 3.08 -0.92 -3.31 114.38 114.23 3fac h ARG 33 Ca 0.05 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 3fac h ARG 33 Cb 0.01 0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.11 3fac h ARG 33 CO -0.01 1.01 -0.31 0.00 -1.07 0.00 0.00 179.97 179.59 3fac h ARG 34 N 0.03 -0.85 0.00 0.04 3.08 -0.07 -3.47 114.38 113.14 3fac h ARG 34 Ca -0.04 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3fac h ARG 34 Cb 1.72 0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.96 3fac h ARG 34 CO 0.14 -0.53 0.00 0.41 -1.07 0.00 0.00 179.97 178.93 3fac n GLY 35 N -0.82 1.13 3.87 0.04 0.00 -0.36 -5.05 105.19 103.99 3fac n GLY 35 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.98 2.98 -0.23 4.61 0.00 -1.26 -5.06 121.76 119.82 3fac s ALA 36 Ca 0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 51.96 51.69 3fac s ALA 36 Cb 0.00 -3.06 -0.03 0.00 0.00 0.00 0.00 23.12 20.02 3fac s ALA 36 CO 0.00 -0.92 0.08 0.42 0.00 0.00 0.00 175.76 175.34 3fac s ILE 37 N -3.25 4.55 0.34 0.00 1.01 -1.26 -4.79 121.20 117.80 3fac s ILE 37 Ca 0.57 -0.10 0.08 0.00 0.00 0.00 0.00 60.65 61.19 3fac s ILE 37 Cb -0.11 -3.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 3fac s ILE 37 CO 0.53 0.37 0.27 0.00 0.00 0.00 0.00 174.94 176.11 3fac s ALA 38 N 1.19 3.78 -0.05 9.38 0.00 -1.19 -1.77 121.76 133.10 3fac s ALA 38 Ca 0.05 -1.72 -0.06 0.00 0.00 0.00 0.00 51.96 50.22 3fac s ALA 38 Cb -0.14 -1.05 0.01 0.00 0.00 0.00 0.00 23.12 21.94 3fac s ALA 38 CO 0.04 -0.01 0.16 0.00 0.00 0.00 0.00 175.76 175.95 3fac s ALA 39 N -2.35 -0.40 0.79 0.00 0.00 -1.05 -2.90 121.76 115.85 3fac s ALA 39 Ca 0.41 0.31 -0.11 0.00 0.00 0.00 0.00 51.96 52.57 3fac s ALA 39 Cb -0.05 -0.17 0.06 0.00 0.00 0.00 0.00 23.12 22.97 3fac s ALA 39 CO 0.26 -0.12 1.09 0.99 0.00 0.00 0.00 175.76 177.98 3fac s THR 40 N -0.33 3.24 -0.29 0.00 2.01 -1.26 -1.84 115.64 117.16 3fac s THR 40 Ca -0.04 0.40 -0.16 0.00 0.31 0.00 0.00 61.69 62.20 3fac s THR 40 Cb -0.03 -3.08 0.13 0.00 0.01 0.00 0.00 72.50 69.53 3fac s THR 40 CO 0.01 -0.52 0.89 0.00 -0.69 0.00 0.00 174.62 174.30 3fac s ALA 41 N -3.07 -2.21 0.64 7.40 0.00 -1.01 -2.30 121.76 121.21 3fac s ALA 41 Ca 0.61 2.25 -0.18 0.00 0.00 0.00 0.00 51.96 54.64 3fac s ALA 41 Cb -0.15 -1.68 -0.02 0.00 0.00 0.00 0.00 23.12 21.27 3fac s ALA 41 CO 0.55 -0.44 1.24 0.54 0.00 0.00 0.00 175.76 177.65 3fac n ARG 42 N 4.06 1.10 -0.31 0.00 1.74 -1.26 -0.87 116.66 121.13 3fac n ARG 42 Ca -0.18 0.43 0.07 0.00 -0.77 0.00 0.00 57.85 57.40 3fac n ARG 42 Cb 0.57 -2.47 0.22 0.00 -1.02 0.00 0.00 32.46 29.76 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 0.55 0.62 0.00 0.55 3.38 -1.73 0.13 115.31 118.81 3fac h LEU 43 Ca -0.51 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3fac h LEU 43 Cb 1.34 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.07 3fac h LEU 43 CO 0.53 0.28 0.00 -1.54 0.09 0.00 0.00 178.44 177.80 3fac n SER 44 N -4.81 0.00 -0.38 -0.43 3.41 -1.26 -3.16 113.62 106.99 3fac n SER 44 Ca 0.17 -1.86 0.05 0.00 -0.26 0.00 0.00 58.87 56.98 3fac n SER 44 Cb 0.41 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.39 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 -0.55 1.70 -4.25 4.04 8.00 0.44 -4.97 116.55 120.96 3fac n ASP 45 Ca 0.02 -1.35 -0.32 0.00 0.71 0.00 0.00 54.79 53.85 3fac n ASP 45 Cb 0.01 0.16 -0.16 0.00 -0.02 0.00 0.00 41.12 41.11 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 -1.18 2.22 -0.05 0.64 0.20 -1.19 -1.29 118.68 118.03 3fac s LEU 46 Ca 0.12 -0.52 -0.00 0.00 0.69 0.00 0.00 54.13 54.42 3fac s LEU 46 Cb 0.09 -1.45 0.03 0.00 -0.43 0.00 0.00 46.19 44.42 3fac s LEU 46 CO 0.18 0.16 -0.01 -0.60 -0.29 0.00 0.00 176.35 175.79 3fac s ARG 47 N 0.38 0.59 -0.52 1.98 3.52 -0.12 -4.98 118.95 119.79 3fac s ARG 47 Ca -0.17 0.04 -0.28 0.00 -0.13 0.00 0.00 55.73 55.19 3fac s ARG 47 Cb -0.17 -0.81 0.02 0.00 -1.56 0.00 0.00 34.95 32.42 3fac s ARG 47 CO 0.08 -0.20 1.28 0.08 -0.81 0.00 0.00 175.30 175.72 3fac s VAL 48 N 1.45 3.98 -0.02 7.11 1.01 -1.26 0.18 120.40 132.84 3fac s VAL 48 Ca -0.03 0.92 -0.26 0.00 0.00 0.00 0.00 61.98 62.61 3fac s VAL 48 Cb -0.13 -4.53 -0.20 0.00 0.00 0.00 0.00 36.38 31.51 3fac s VAL 48 CO -0.03 -1.12 1.24 0.58 0.00 0.00 0.00 175.10 175.78 3fac h VAL 49 N 6.29 1.36 -3.08 2.92 2.07 0.32 -3.48 116.25 122.65 3fac h VAL 49 Ca -0.25 -1.15 -0.06 0.00 0.82 0.00 0.00 66.70 66.05 3fac h VAL 49 Cb 1.07 2.14 -0.15 0.00 -1.52 0.00 0.00 31.29 32.84 3fac h VAL 49 CO 1.15 0.30 -0.03 0.00 0.02 0.00 0.00 177.57 179.01 3fac s ARG 50 N -4.20 1.03 0.00 1.57 1.70 -0.78 -4.95 118.95 113.32 3fac s ARG 50 Ca -0.16 -0.46 0.00 0.00 -0.47 0.00 0.00 55.73 54.64 3fac s ARG 50 Cb 0.02 0.46 0.00 0.00 -0.57 0.00 0.00 34.95 34.86 3fac s ARG 50 CO 0.67 -0.39 0.00 0.41 -1.08 0.00 0.00 175.30 174.91 3fac n GLY 51 N 0.15 0.75 0.38 3.88 0.00 -1.20 -0.80 105.19 108.34 3fac n GLY 51 Ca -0.17 -0.15 0.17 0.00 0.00 0.00 0.00 46.02 45.87 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 2.26 0.00 4.61 0.00 -1.91 0.14 119.26 124.36 3fac h ALA 52 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fac h ALA 52 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3fac h ALA 52 CO 0.00 -0.44 0.00 -0.85 0.00 0.00 0.00 179.25 177.96 3fac n GLU 53 N -4.44 0.16 -0.20 0.00 0.00 -1.26 -3.36 120.64 111.53 3fac n GLU 53 Ca 0.12 0.14 0.11 0.00 0.00 0.00 0.00 57.16 57.54 3fac n GLU 53 Cb 0.55 -1.69 0.22 0.00 0.00 0.00 0.00 31.44 30.52 3fac n GLU 53 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 3fac n ASN 54 N -1.96 3.45 -4.88 -1.84 2.85 0.49 -4.95 115.26 108.42 3fac n ASN 54 Ca 0.06 -1.98 -0.34 0.00 -0.11 0.00 0.00 54.58 52.21 3fac n ASN 54 Cb 0.39 -0.27 -0.05 0.00 1.24 0.00 0.00 39.78 41.09 3fac n ASN 54 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3fac s LEU 55 N -1.38 4.36 -0.09 1.20 1.43 -1.13 -0.79 118.68 122.29 3fac s LEU 55 Ca 0.38 0.63 -0.00 0.00 -1.03 0.00 0.00 54.13 54.11 3fac s LEU 55 Cb 0.22 -2.80 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 3fac s LEU 55 CO 0.30 0.22 -0.05 -0.89 0.23 0.00 0.00 176.35 176.16 3fac s THR 56 N -1.35 3.85 -0.17 5.49 2.01 0.15 -4.85 115.64 120.77 3fac s THR 56 Ca 0.30 -0.41 -0.08 0.00 0.31 0.00 0.00 61.69 61.80 3fac s THR 56 Cb -0.13 -2.60 -0.05 0.00 0.01 0.00 0.00 72.50 69.73 3fac s THR 56 CO 0.17 0.58 0.11 -0.22 -0.69 0.00 0.00 174.62 174.58 3fac s LEU 57 N -0.64 4.15 -0.08 4.42 2.96 -1.26 -1.51 118.68 126.72 3fac s LEU 57 Ca 0.10 0.25 0.01 0.00 -0.22 0.00 0.00 54.13 54.27 3fac s LEU 57 Cb -0.12 -2.05 0.02 0.00 0.50 0.00 0.00 46.19 44.54 3fac s LEU 57 CO 0.02 0.24 -0.10 -0.47 -1.32 0.00 0.00 176.35 174.72 3fac s TYR 58 N -0.00 1.38 0.09 5.38 5.04 0.80 -4.99 117.35 125.05 3fac s TYR 58 Ca 0.09 -0.55 0.05 0.00 -2.44 0.00 0.00 57.07 54.22 3fac s TYR 58 Cb -0.12 -1.07 -0.03 0.00 0.35 0.00 0.00 41.96 41.10 3fac s TYR 58 CO -0.00 -0.33 -0.14 -0.65 -1.34 0.00 0.00 175.55 173.09 3fac s GLN 59 N 0.97 0.91 0.23 4.97 -0.21 -1.26 -1.97 119.66 123.30 3fac s GLN 59 Ca -0.09 -1.09 -0.22 0.00 0.02 0.00 0.00 55.36 53.98 3fac s GLN 59 Cb -0.15 -0.87 0.04 0.00 1.00 0.00 0.00 33.01 33.04 3fac s GLN 59 CO 0.00 0.18 0.85 -0.59 -2.12 0.00 0.00 175.29 173.61 3fac s PHE 60 N -1.67 -0.12 0.00 0.91 -0.12 -1.26 -4.94 117.98 110.78 3fac s PHE 60 Ca 0.03 -0.30 0.00 0.00 -0.05 0.00 0.00 56.93 56.62 3fac s PHE 60 Cb -0.08 0.69 0.00 0.00 -0.63 0.00 0.00 43.02 43.01 3fac s PHE 60 CO 0.02 -1.08 0.00 0.41 -0.05 0.00 0.00 175.22 174.52 3fac n GLY 61 N -0.49 1.48 0.01 1.99 0.00 -1.26 0.68 105.19 107.61 3fac n GLY 61 Ca -0.05 0.43 0.12 0.00 0.00 0.00 0.00 46.02 46.52 3fac n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fac n THR 62 N 0.00 0.29 -1.96 2.61 -2.24 -1.26 -4.87 114.28 106.85 3fac n THR 62 Ca 0.00 0.04 -0.18 0.00 -2.27 0.00 0.00 64.05 61.63 3fac n THR 62 Cb 0.00 -0.63 -0.04 0.00 -2.10 0.00 0.00 70.33 67.55 3fac n THR 62 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3fac n ARG 63 N -1.58 -1.62 -0.06 -0.78 1.74 0.22 -4.85 116.66 109.72 3fac n ARG 63 Ca 0.06 0.99 -0.06 0.00 -0.77 0.00 0.00 57.85 58.07 3fac n ARG 63 Cb 0.31 -5.48 -0.04 0.00 -1.02 0.00 0.00 32.46 26.23 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 0.41 -3.92 0.55 2.02 -1.90 -3.46 112.91 106.61 3fac h THR 64 Ca -0.40 -1.35 -0.52 0.00 0.77 0.00 0.00 66.41 64.90 3fac h THR 64 Cb 1.26 0.82 0.08 0.00 -1.74 0.00 0.00 68.15 68.56 3fac h THR 64 CO 0.53 0.14 0.62 0.00 0.37 0.00 0.00 175.52 177.19 3fac s ALA 65 N -2.52 3.35 -0.20 6.16 0.00 -1.26 -4.84 121.76 122.45 3fac s ALA 65 Ca -0.09 1.25 -0.01 0.00 0.00 0.00 0.00 51.96 53.10 3fac s ALA 65 Cb 0.00 -3.48 0.01 0.00 0.00 0.00 0.00 23.12 19.65 3fac s ALA 65 CO 0.23 -0.76 -0.12 0.15 0.00 0.00 0.00 175.76 175.26 3fac s LYS 66 N -2.08 3.14 -0.14 0.00 1.02 -0.72 -4.62 119.74 116.33 3fac s LYS 66 Ca 0.54 -0.76 -0.02 0.00 0.02 0.00 0.00 55.97 55.75 3fac s LYS 66 Cb -0.39 -2.80 -0.02 0.00 -0.52 0.00 0.00 37.83 34.10 3fac s LYS 66 CO 0.50 -0.23 -0.09 -1.01 -0.92 0.00 0.00 175.35 173.61 3fac s HIS 67 N 1.37 2.91 0.08 3.18 3.76 -0.83 0.83 115.29 126.60 3fac s HIS 67 Ca 0.05 -0.49 0.09 0.00 -0.15 0.00 0.00 55.06 54.56 3fac s HIS 67 Cb -0.14 -1.90 -0.03 0.00 1.11 0.00 0.00 32.58 31.61 3fac s HIS 67 CO -0.08 -0.14 -0.24 -1.58 -0.85 0.00 0.00 174.74 171.85 3fac s TRP 68 N 0.39 2.40 -0.10 1.40 0.52 -0.76 -0.14 118.94 122.64 3fac s TRP 68 Ca -0.07 -0.35 -0.19 0.00 0.02 0.00 0.00 56.10 55.51 3fac s TRP 68 Cb -0.15 -1.36 0.04 0.00 -1.15 0.00 0.00 33.47 30.86 3fac s TRP 68 CO 0.04 0.26 0.45 -0.59 0.02 0.00 0.00 176.95 177.13 3fac s PHE 69 N -0.96 -0.43 0.07 -1.98 -0.12 -0.57 -3.00 117.98 111.00 3fac s PHE 69 Ca 0.14 0.89 -0.31 0.00 -0.05 0.00 0.00 56.93 57.61 3fac s PHE 69 Cb -0.10 0.19 -0.08 0.00 -0.63 0.00 0.00 43.02 42.40 3fac s PHE 69 CO 0.05 -0.37 1.65 0.00 -0.05 0.00 0.00 175.22 176.50 3fac h ARG 71 N 8.23 0.00 0.00 0.00 0.11 -1.29 0.14 114.38 121.57 3fac h ARG 71 Ca -0.43 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.61 3fac h ARG 71 Cb 1.20 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.28 3fac h ARG 71 CO 0.93 0.00 -0.58 1.15 0.10 0.00 0.00 179.97 181.57 3fac h THR 72 N 0.00 0.19 -0.01 0.08 2.02 -1.91 -3.40 112.91 109.89 3fac h THR 72 Ca 0.00 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 65.95 3fac h THR 72 Cb 0.33 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 3fac h THR 72 CO 0.00 0.06 -0.51 0.00 0.37 0.00 0.00 175.52 175.45 3fac n GLY 74 N 1.43 0.30 3.69 0.00 0.00 0.48 -4.96 105.19 106.13 3fac n GLY 74 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.68 4.31 -0.16 -0.61 -1.09 -1.25 -4.65 121.20 116.06 3fac s ILE 75 Ca 0.00 1.63 -0.29 0.00 -2.23 0.00 0.00 60.65 59.76 3fac s ILE 75 Cb 0.00 -4.05 -0.03 0.00 -1.58 0.00 0.00 42.46 36.80 3fac s ILE 75 CO 0.00 0.01 1.53 -0.47 -1.23 0.00 0.00 174.94 174.78 3fac s TYR 76 N 2.10 2.26 -0.07 3.97 5.04 -1.26 -1.92 117.35 127.46 3fac s TYR 76 Ca 0.55 0.55 -0.04 0.00 -2.44 0.00 0.00 57.07 55.69 3fac s TYR 76 Cb -0.24 -3.85 -0.01 0.00 0.35 0.00 0.00 41.96 38.20 3fac s TYR 76 CO 0.22 -2.88 -0.08 1.79 -1.34 0.00 0.00 175.55 173.26 3fac h THR 77 N 5.81 0.00 -3.45 4.34 1.35 -1.92 -3.41 112.91 115.63 3fac h THR 77 Ca -0.33 -0.54 -0.06 0.00 -0.55 0.00 0.00 66.41 64.93 3fac h THR 77 Cb 1.15 0.00 -0.06 0.00 -1.73 0.00 0.00 68.15 67.51 3fac h THR 77 CO 0.98 0.00 0.03 -1.38 -0.25 0.00 0.00 175.52 174.90 3fac s HIS 78 N -1.61 0.31 0.07 4.73 -3.43 -1.26 -1.02 115.29 113.08 3fac s HIS 78 Ca -0.07 -0.74 -0.22 0.00 -0.80 0.00 0.00 55.06 53.24 3fac s HIS 78 Cb 0.01 0.39 0.05 0.00 -1.43 0.00 0.00 32.58 31.60 3fac s HIS 78 CO 0.10 -1.19 0.52 -3.38 -2.00 0.00 0.00 174.74 168.79 3fac s HIS 79 N -3.48 -0.42 -0.59 0.38 -3.43 0.00 -1.84 115.29 105.91 3fac s HIS 79 Ca 0.20 0.41 -0.19 0.00 -0.80 0.00 0.00 55.06 54.68 3fac s HIS 79 Cb -0.03 0.36 0.10 0.00 -1.43 0.00 0.00 32.58 31.59 3fac s HIS 79 CO 0.11 -0.68 0.69 -1.14 -2.00 0.00 0.00 174.74 171.73 3fac s GLN 80 N -2.72 3.04 0.53 -0.38 0.74 0.24 0.93 119.66 122.05 3fac s GLN 80 Ca -0.04 -1.31 -0.16 0.00 0.05 0.00 0.00 55.36 53.90 3fac s GLN 80 Cb -0.00 -4.26 -0.13 0.00 1.10 0.00 0.00 33.01 29.71 3fac s GLN 80 CO -0.04 -1.52 -0.23 0.54 -0.55 0.00 0.00 175.29 173.49 3fac n ARG 81 N 6.28 0.00 0.01 1.67 1.74 -1.19 -1.75 116.66 123.43 3fac n ARG 81 Ca -0.10 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.09 3fac n ARG 81 Cb 0.42 -0.88 -0.06 0.00 -1.02 0.00 0.00 32.46 30.92 3fac n ARG 81 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3fac n ARG 82 N 1.51 0.35 0.09 5.56 0.63 -1.26 -4.01 116.66 119.53 3fac n ARG 82 Ca 0.05 -0.05 -0.19 0.00 -0.92 0.00 0.00 57.85 56.74 3fac n ARG 82 Cb 0.43 -1.57 -0.15 0.00 0.45 0.00 0.00 32.46 31.63 3fac n ARG 82 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3fac h SER 83 N 0.00 0.53 -3.15 6.15 4.64 -1.98 -3.44 113.55 116.29 3fac h SER 83 Ca 0.00 -0.65 -0.57 0.00 -0.47 0.00 0.00 61.79 60.10 3fac h SER 83 Cb 0.77 -0.17 -0.40 0.00 -0.31 0.00 0.00 62.40 62.29 3fac h SER 83 CO 0.00 1.53 -0.76 0.21 -0.87 0.00 0.00 176.83 176.94 3fac s ASN 84 N -7.20 3.92 0.00 4.97 3.84 -1.26 -4.99 114.94 114.23 3fac s ASN 84 Ca -0.09 -1.55 0.04 0.00 0.21 0.00 0.00 52.86 51.48 3fac s ASN 84 Cb 0.06 -0.82 0.22 0.00 -0.55 0.00 0.00 41.25 40.16 3fac s ASN 84 CO 0.88 -0.40 0.91 -2.65 -2.79 0.00 0.00 177.10 173.04 3fac n PRO 85 N 4.88 0.08 -0.40 0.43 -0.02 -1.26 -1.54 135.00 137.17 3fac n PRO 85 Ca -0.03 0.18 0.09 0.00 -2.02 0.00 0.00 63.50 61.72 3fac n PRO 85 Cb 0.42 -1.50 0.27 0.00 -0.02 0.00 0.00 33.50 32.68 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 -1.21 3.15 -4.36 -0.52 -0.58 -1.26 -4.96 120.64 110.89 3fac n GLU 86 Ca 0.02 -2.56 -0.18 0.00 -0.42 0.00 0.00 57.16 54.01 3fac n GLU 86 Cb 0.03 -1.62 -0.10 0.00 -0.57 0.00 0.00 31.44 29.18 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 -1.53 1.39 0.07 3.49 2.02 -0.59 -2.01 118.70 121.55 3fac s GLU 87 Ca 0.40 -1.69 0.06 0.00 0.02 0.00 0.00 54.97 53.76 3fac s GLU 87 Cb 0.25 -0.85 -0.03 0.00 0.10 0.00 0.00 34.13 33.60 3fac s GLU 87 CO 0.21 -0.02 -0.16 0.71 0.02 0.00 0.00 175.26 176.02 3fac s TYR 88 N -3.23 1.41 -0.24 1.61 2.02 -0.05 -3.18 117.35 115.69 3fac s TYR 88 Ca 0.27 -0.42 -0.05 0.00 -0.37 0.00 0.00 57.07 56.51 3fac s TYR 88 Cb 0.04 -0.80 -0.01 0.00 -0.40 0.00 0.00 41.96 40.79 3fac s TYR 88 CO 0.09 0.09 -0.00 0.20 -1.57 0.00 0.00 175.55 174.36 3fac s GLY 89 N -1.61 1.67 -0.04 0.71 0.00 0.26 -2.40 107.32 105.91 3fac s GLY 89 Ca 0.02 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.52 3fac s GLY 89 CO 0.03 0.49 -0.01 0.14 0.00 0.00 0.00 173.10 173.75 3fac s VAL 90 N 1.50 4.15 -0.50 1.40 1.01 -0.77 -0.82 120.40 126.37 3fac s VAL 90 Ca 0.05 -0.47 -0.28 0.00 0.00 0.00 0.00 61.98 61.28 3fac s VAL 90 Cb -0.15 -2.79 0.01 0.00 0.00 0.00 0.00 36.38 33.45 3fac s VAL 90 CO -0.01 0.48 1.45 0.21 0.00 0.00 0.00 175.10 177.23 3fac s ASN 91 N -1.24 6.15 0.46 3.32 3.84 -0.19 -2.53 114.94 124.75 3fac s ASN 91 Ca 0.16 0.53 0.18 0.00 0.21 0.00 0.00 52.86 53.94 3fac s ASN 91 Cb -0.11 -2.54 1.15 0.00 -0.55 0.00 0.00 41.25 39.20 3fac s ASN 91 CO 0.06 -1.64 1.98 -0.37 -2.79 0.00 0.00 177.10 174.34 3fac h VAL 92 N 6.46 0.83 0.00 -5.21 -1.51 -1.69 -1.66 116.25 113.47 3fac h VAL 92 Ca -0.27 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 3fac h VAL 92 Cb 1.10 0.53 0.00 0.00 -2.13 0.00 0.00 31.29 30.79 3fac h VAL 92 CO 1.14 0.05 0.00 0.00 -1.23 0.00 0.00 177.57 177.53 3fac h ALA 93 N 1.71 1.00 0.00 5.19 0.00 -1.83 -2.20 119.26 123.12 3fac h ALA 93 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3fac h ALA 93 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3fac h ALA 93 CO -0.06 0.00 -0.68 -0.84 0.00 0.00 0.00 179.25 177.67 3fac h ILE 94 N 0.00 0.00 -2.77 0.00 3.07 -1.57 -3.46 117.51 112.78 3fac h ILE 94 Ca 0.00 -0.73 -0.53 0.00 1.55 0.00 0.00 64.86 65.15 3fac h ILE 94 Cb 0.31 1.34 0.03 0.00 -0.27 0.00 0.00 36.82 38.22 3fac h ILE 94 CO 0.00 0.00 0.93 -0.76 -1.05 0.00 0.00 178.15 177.27 3fac s LEU 95 N -4.86 4.36 0.13 0.16 1.43 -0.83 -1.99 118.68 117.09 3fac s LEU 95 Ca 0.04 2.47 -0.34 0.00 -1.03 0.00 0.00 54.13 55.28 3fac s LEU 95 Cb 0.11 -3.57 -0.13 0.00 0.03 0.00 0.00 46.19 42.62 3fac s LEU 95 CO 0.74 -0.83 1.64 1.21 0.23 0.00 0.00 176.35 179.34 3fac n GLU 96 N 4.98 2.25 -0.92 1.70 2.13 0.10 -1.83 120.64 129.06 3fac n GLU 96 Ca 0.15 0.81 0.00 0.00 0.66 0.00 0.00 57.16 58.78 3fac n GLU 96 Cb 0.40 -2.61 0.00 0.00 0.27 0.00 0.00 31.44 29.51 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 3.63 0.53 3.21 8.31 0.00 -1.26 -4.88 105.19 114.72 3fac n GLY 97 Ca 0.18 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 2.98 -0.38 1.61 1.01 -0.76 -5.06 120.40 117.80 3fac s VAL 98 Ca 0.00 -1.06 -0.12 0.00 0.00 0.00 0.00 61.98 60.81 3fac s VAL 98 Cb 0.00 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.86 3fac s VAL 98 CO 0.00 0.14 0.22 0.21 0.00 0.00 0.00 175.10 175.67 3fac s ASN 99 N 1.33 5.80 0.47 3.32 3.84 -1.26 -4.68 114.94 123.76 3fac s ASN 99 Ca -0.01 -0.93 0.30 0.00 0.21 0.00 0.00 52.86 52.44 3fac s ASN 99 Cb -0.17 -2.05 1.39 0.00 -0.55 0.00 0.00 41.25 39.87 3fac s ASN 99 CO -0.03 -0.38 1.73 1.55 -2.79 0.00 0.00 177.10 177.17 3fac h PRO 100 N 8.47 0.15 -0.93 0.43 0.13 -1.92 0.43 132.00 138.75 3fac h PRO 100 Ca -0.26 -0.01 0.09 0.00 -0.87 0.00 0.00 66.00 64.95 3fac h PRO 100 Cb 1.11 -0.03 -0.07 0.00 0.13 0.00 0.00 31.00 32.14 3fac h PRO 100 CO 0.68 0.10 0.58 -0.09 -0.23 0.00 0.00 178.00 179.03 3fac h ARG 101 N 0.15 0.96 0.00 0.86 2.43 -1.93 -1.38 114.38 115.47 3fac h ARG 101 Ca 0.67 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.79 3fac h ARG 101 Cb 2.24 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 31.57 3fac h ARG 101 CO -0.21 0.63 0.00 -0.25 -1.51 0.00 0.00 179.97 178.64 3fac n ASP 102 N -4.62 0.23 0.02 -3.80 8.00 0.14 -1.31 116.55 115.21 3fac n ASP 102 Ca 0.15 0.59 0.13 0.00 0.71 0.00 0.00 54.79 56.38 3fac n ASP 102 Cb 0.25 -0.63 0.49 0.00 -0.02 0.00 0.00 41.12 41.22 3fac n ASP 102 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3fac n LEU 103 N -1.79 0.25 0.00 0.64 4.77 -0.52 -5.03 117.00 115.32 3fac n LEU 103 Ca 0.01 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 3fac n LEU 103 Cb 0.07 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 3fac n LEU 103 CO 0.08 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.74 3fac n GLY 104 N 1.47 -0.30 3.67 -0.72 0.00 -0.43 -4.74 105.19 104.14 3fac n GLY 104 Ca 0.06 -0.99 -0.39 0.00 0.00 0.00 0.00 46.02 44.70 3fac n GLY 104 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3fac n GLU 105 N -0.85 1.48 -3.82 1.61 4.07 -1.26 -4.98 120.64 116.89 3fac n GLU 105 Ca 0.00 0.54 -0.13 0.00 -0.06 0.00 0.00 57.16 57.52 3fac n GLU 105 Cb 0.00 -2.32 -0.13 0.00 -0.06 0.00 0.00 31.44 28.93 3fac n GLU 105 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 3fac s VAL 106 N -1.32 -0.01 1.21 6.31 -7.23 -1.26 -5.16 120.40 112.94 3fac s VAL 106 Ca 0.68 0.03 -0.19 0.00 -1.81 0.00 0.00 61.98 60.70 3fac s VAL 106 Cb -0.47 -0.18 0.30 0.00 0.56 0.00 0.00 36.38 36.59 3fac s VAL 106 CO 0.52 0.01 0.67 -2.65 -0.31 0.00 0.00 175.10 173.35 3fac n PRO 107 N 3.24 -3.69 -3.88 4.82 -0.02 -1.26 -4.87 135.00 129.34 3fac n PRO 107 Ca -0.15 -1.13 -0.26 0.00 -2.02 0.00 0.00 63.50 59.93 3fac n PRO 107 Cb 0.58 -1.61 -0.17 0.00 -0.02 0.00 0.00 33.50 32.28 3fac n PRO 107 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3fac s TRP 108 N -1.97 1.39 -2.00 6.00 0.52 -1.26 -2.81 118.94 118.81 3fac s TRP 108 Ca 0.52 -0.72 0.27 0.00 0.02 0.00 0.00 56.10 56.19 3fac s TRP 108 Cb -0.09 -1.18 1.58 0.00 -1.15 0.00 0.00 33.47 32.63 3fac s TRP 108 CO 0.44 -0.51 1.94 0.25 0.02 0.00 0.00 176.95 179.08