#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 4.42 -0.03 2.12 2.20 -1.26 -2.16 119.74 125.03 3fac s LYS 2 Ca 0.00 0.98 0.03 0.00 -0.36 0.00 0.00 55.97 56.62 3fac s LYS 2 Cb 0.00 -3.27 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 3fac s LYS 2 CO 0.00 0.55 -0.11 0.20 -0.36 0.00 0.00 175.35 175.64 3fac s GLY 3 N -0.96 0.62 -0.04 5.54 0.00 -0.81 -0.34 107.32 111.33 3fac s GLY 3 Ca 0.33 -0.39 -0.05 0.00 0.00 0.00 0.00 44.72 44.61 3fac s GLY 3 CO 0.23 -0.10 0.13 -0.51 0.00 0.00 0.00 173.10 172.84 3fac s THR 4 N 0.22 0.02 0.78 0.90 -4.23 -0.27 0.25 115.64 113.31 3fac s THR 4 Ca -0.04 -0.17 -0.11 0.00 -1.18 0.00 0.00 61.69 60.18 3fac s THR 4 Cb -0.10 -0.24 0.06 0.00 1.34 0.00 0.00 72.50 73.56 3fac s THR 4 CO 0.01 -0.09 1.09 0.00 -0.54 0.00 0.00 174.62 175.09 3fac h HIS 6 N -1.02 1.14 -0.74 0.00 2.76 -1.94 -2.29 115.15 113.05 3fac h HIS 6 Ca -0.46 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 57.79 3fac h HIS 6 Cb 1.26 -0.38 -0.05 0.00 1.55 0.00 0.00 27.41 29.79 3fac h HIS 6 CO 0.49 0.66 0.45 0.00 -1.30 0.00 0.00 177.93 178.23 3fac n GLY 8 N -1.30 0.28 0.20 0.00 0.00 -0.86 -4.94 105.19 98.56 3fac n GLY 8 Ca 0.10 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.12 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 1.29 -3.43 4.61 0.00 -1.89 -3.43 119.26 116.41 3fac h ALA 9 Ca 0.00 -0.35 -0.67 0.00 0.00 0.00 0.00 54.91 53.89 3fac h ALA 9 Cb 0.00 -0.08 -0.28 0.00 0.00 0.00 0.00 17.79 17.44 3fac h ALA 9 CO 0.00 0.50 -0.79 0.08 0.00 0.00 0.00 179.25 179.04 3fac s VAL 10 N -4.25 2.83 -0.02 0.00 1.01 -1.26 -3.28 120.40 115.43 3fac s VAL 10 Ca -0.04 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 3fac s VAL 10 Cb 0.14 -2.16 0.03 0.00 0.00 0.00 0.00 36.38 34.39 3fac s VAL 10 CO 0.75 0.54 0.03 -0.70 0.00 0.00 0.00 175.10 175.72 3fac s GLU 11 N 0.21 -0.05 0.43 2.72 2.12 -0.71 -1.38 118.70 122.04 3fac s GLU 11 Ca -0.10 0.22 0.06 0.00 0.36 0.00 0.00 54.97 55.51 3fac s GLU 11 Cb -0.16 -0.29 -0.07 0.00 0.26 0.00 0.00 34.13 33.88 3fac s GLU 11 CO 0.06 -0.19 0.02 0.96 -0.54 0.00 0.00 175.26 175.56 3fac s ILE 12 N 1.23 1.89 -0.15 -3.70 -4.36 0.14 0.10 121.20 116.34 3fac s ILE 12 Ca -0.07 -1.99 -0.03 0.00 -0.26 0.00 0.00 60.65 58.30 3fac s ILE 12 Cb -0.13 -2.88 0.05 0.00 1.25 0.00 0.00 42.46 40.76 3fac s ILE 12 CO -0.03 0.00 0.04 -0.70 0.24 0.00 0.00 174.94 174.49 3fac s GLU 13 N -3.74 0.44 0.16 0.37 2.12 -0.55 -1.93 118.70 115.57 3fac s GLU 13 Ca 0.31 -0.17 0.06 0.00 0.36 0.00 0.00 54.97 55.53 3fac s GLU 13 Cb 0.09 -1.70 -0.04 0.00 0.26 0.00 0.00 34.13 32.73 3fac s GLU 13 CO 0.16 -0.56 -0.12 0.54 -0.54 0.00 0.00 175.26 174.74 3fac s VAL 14 N 1.98 1.38 -0.26 3.70 0.11 -0.92 -2.18 120.40 124.21 3fac s VAL 14 Ca 0.01 -2.03 0.01 0.00 -2.93 0.00 0.00 61.98 57.04 3fac s VAL 14 Cb -0.15 -1.83 0.07 0.00 -1.53 0.00 0.00 36.38 32.93 3fac s VAL 14 CO -0.07 -0.63 -0.02 -1.61 -3.33 0.00 0.00 175.10 169.44 3fac s GLU 15 N -3.47 1.45 0.34 1.54 0.41 -0.03 -3.13 118.70 115.80 3fac s GLU 15 Ca 0.17 -1.10 -0.29 0.00 -0.41 0.00 0.00 54.97 53.34 3fac s GLU 15 Cb -0.00 -2.58 -0.11 0.00 -1.78 0.00 0.00 34.13 29.67 3fac s GLU 15 CO 0.03 -0.70 1.42 -0.51 -0.49 0.00 0.00 175.26 175.02 3fac s LEU 16 N 1.37 4.37 0.13 1.80 1.43 -1.26 -4.36 118.68 122.16 3fac s LEU 16 Ca -0.01 2.86 -0.19 0.00 -1.03 0.00 0.00 54.13 55.76 3fac s LEU 16 Cb -0.19 -3.65 -0.01 0.00 0.03 0.00 0.00 46.19 42.37 3fac s LEU 16 CO -0.09 -0.73 1.74 0.25 0.23 0.00 0.00 176.35 177.75 3fac h LEU 17 N 3.58 0.02 -5.73 1.79 5.85 -1.61 -3.36 115.31 115.85 3fac h LEU 17 Ca -0.49 0.04 -0.45 0.00 0.84 0.00 0.00 57.88 57.81 3fac h LEU 17 Cb 1.23 0.05 -0.32 0.00 0.37 0.00 0.00 40.66 41.98 3fac h LEU 17 CO 0.68 0.04 -0.96 -3.20 -0.34 0.00 0.00 178.44 174.66 3fac n ASN 18 N -5.08 -0.50 0.00 1.25 5.15 -1.26 -5.07 115.26 109.74 3fac n ASN 18 Ca -0.02 -2.95 0.00 0.00 -0.60 0.00 0.00 54.58 51.02 3fac n ASN 18 Cb 0.10 0.04 0.00 0.00 -0.53 0.00 0.00 39.78 39.39 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 1.17 1.46 1.42 8.20 0.00 -1.26 -2.69 105.19 113.50 3fac n GLY 19 Ca 0.18 -0.38 0.06 0.00 0.00 0.00 0.00 46.02 45.89 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 10.50 1.57 -0.23 1.61 3.72 -1.26 -4.58 117.46 128.78 3fac n PHE 20 Ca 0.00 -0.88 -0.08 0.00 -0.05 0.00 0.00 57.45 56.44 3fac n PHE 20 Cb 0.00 -0.44 0.04 0.00 -0.94 0.00 0.00 39.48 38.14 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 2.75 0.90 -0.62 4.37 0.00 -1.95 -3.06 119.26 121.66 3fac h ALA 21 Ca 0.03 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 3fac h ALA 21 Cb 1.77 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 19.26 3fac h ALA 21 CO 0.39 0.67 0.09 -0.40 0.00 0.00 0.00 179.25 180.00 3fac n ASP 22 N -4.21 5.39 -4.67 0.00 5.68 -1.26 -4.98 116.55 112.50 3fac n ASP 22 Ca 0.04 -3.00 -0.42 0.00 -0.50 0.00 0.00 54.79 50.91 3fac n ASP 22 Cb 0.30 -0.70 -0.03 0.00 -1.14 0.00 0.00 41.12 39.55 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 -2.79 3.63 0.33 2.12 0.00 -1.16 -4.81 121.76 119.09 3fac s ALA 23 Ca 0.54 1.24 0.02 0.00 0.00 0.00 0.00 51.96 53.76 3fac s ALA 23 Cb 0.41 -3.79 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 3fac s ALA 23 CO 0.15 -1.43 0.37 0.50 0.00 0.00 0.00 175.76 175.35 3fac s ARG 24 N 3.90 1.81 -0.28 0.00 3.52 -0.87 -4.30 118.95 122.73 3fac s ARG 24 Ca 0.82 -1.88 -0.04 0.00 -0.13 0.00 0.00 55.73 54.51 3fac s ARG 24 Cb -0.41 0.38 0.09 0.00 -1.56 0.00 0.00 34.95 33.46 3fac s ARG 24 CO 0.37 -0.71 0.12 -0.98 -0.81 0.00 0.00 175.30 173.29 3fac s ARG 25 N -3.28 0.27 0.26 5.12 1.70 -0.86 -0.74 118.95 121.42 3fac s ARG 25 Ca 0.36 -0.56 -0.30 0.00 -0.47 0.00 0.00 55.73 54.75 3fac s ARG 25 Cb 0.01 -1.38 -0.14 0.00 -0.57 0.00 0.00 34.95 32.88 3fac s ARG 25 CO 0.24 -0.97 1.27 0.00 -1.08 0.00 0.00 175.30 174.76 3fac n ASP 27 N 1.69 2.97 -4.68 0.00 5.75 -1.26 -3.53 116.55 117.49 3fac n ASP 27 Ca 0.10 -3.59 -0.29 0.00 -0.01 0.00 0.00 54.79 51.00 3fac n ASP 27 Cb 0.31 -0.65 0.16 0.00 -1.03 0.00 0.00 41.12 39.92 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 -1.78 0.39 0.00 0.00 4.64 -2.00 -0.94 113.55 113.85 3fac h SER 29 Ca -0.52 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 3fac h SER 29 Cb 1.30 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3fac h SER 29 CO 0.55 0.13 -0.12 0.15 -0.87 0.00 0.00 176.83 176.67 3fac h PHE 30 N 0.37 0.00 -0.82 4.77 3.57 -1.96 -3.35 116.94 119.53 3fac h PHE 30 Ca 0.50 0.00 0.15 0.00 3.53 0.00 0.00 57.97 62.15 3fac h PHE 30 Cb 1.31 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.99 3fac h PHE 30 CO -0.00 0.24 0.54 0.00 -2.23 0.00 0.00 178.31 176.86 3fac h ARG 32 N 0.53 0.00 0.00 0.00 0.11 -1.22 -1.80 114.38 112.01 3fac h ARG 32 Ca 0.41 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.35 3fac h ARG 32 Cb 0.80 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.86 3fac h ARG 32 CO -0.16 0.26 -0.63 0.00 0.10 0.00 0.00 179.97 179.55 3fac h ARG 33 N 0.00 0.00 -0.12 0.08 3.08 -1.28 -3.12 114.38 113.02 3fac h ARG 33 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 3fac h ARG 33 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 3fac h ARG 33 CO 0.03 0.63 -0.09 0.00 -1.07 0.00 0.00 179.97 179.47 3fac h ARG 34 N 0.00 0.27 -0.09 0.04 3.08 -1.13 -3.47 114.38 113.08 3fac h ARG 34 Ca -0.01 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 3fac h ARG 34 Cb 1.29 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.32 3fac h ARG 34 CO 0.08 0.65 -0.03 0.41 -1.07 0.00 0.00 179.97 180.01 3fac n GLY 35 N 0.14 0.45 3.95 0.04 0.00 -0.74 -5.02 105.19 104.01 3fac n GLY 35 Ca -0.06 -0.13 -0.23 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 -1.73 3.70 -0.17 4.61 0.00 -1.26 -5.09 121.76 121.82 3fac s ALA 36 Ca 0.00 -1.05 -0.07 0.00 0.00 0.00 0.00 51.96 50.84 3fac s ALA 36 Cb 0.00 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 3fac s ALA 36 CO 0.00 -0.54 0.05 0.42 0.00 0.00 0.00 175.76 175.69 3fac s ILE 37 N -2.68 4.72 0.07 0.00 1.01 -1.26 -4.62 121.20 118.44 3fac s ILE 37 Ca 0.51 -0.06 0.08 0.00 0.00 0.00 0.00 60.65 61.18 3fac s ILE 37 Cb -0.10 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 3fac s ILE 37 CO 0.39 0.48 -0.18 0.00 0.00 0.00 0.00 174.94 175.63 3fac s ALA 38 N 0.20 2.62 0.08 9.38 0.00 0.09 -1.80 121.76 132.34 3fac s ALA 38 Ca 0.04 -1.26 0.08 0.00 0.00 0.00 0.00 51.96 50.82 3fac s ALA 38 Cb -0.12 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 3fac s ALA 38 CO 0.01 0.58 -0.21 0.00 0.00 0.00 0.00 175.76 176.13 3fac s ALA 39 N -1.01 1.85 0.46 0.00 0.00 -0.84 -2.06 121.76 120.16 3fac s ALA 39 Ca 0.16 -1.20 -0.17 0.00 0.00 0.00 0.00 51.96 50.74 3fac s ALA 39 Cb -0.11 -0.29 -0.09 0.00 0.00 0.00 0.00 23.12 22.63 3fac s ALA 39 CO 0.07 0.39 0.93 0.99 0.00 0.00 0.00 175.76 178.14 3fac s THR 40 N -1.02 4.53 -0.27 0.00 2.01 -1.26 -1.76 115.64 117.86 3fac s THR 40 Ca 0.08 1.22 -0.18 0.00 0.31 0.00 0.00 61.69 63.12 3fac s THR 40 Cb -0.10 -3.67 0.08 0.00 0.01 0.00 0.00 72.50 68.82 3fac s THR 40 CO 0.03 -0.51 0.68 0.00 -0.69 0.00 0.00 174.62 174.14 3fac s ALA 41 N -2.41 -1.83 0.52 7.40 0.00 -1.02 -1.49 121.76 122.94 3fac s ALA 41 Ca 0.59 2.31 -0.21 0.00 0.00 0.00 0.00 51.96 54.65 3fac s ALA 41 Cb -0.10 -1.36 -0.06 0.00 0.00 0.00 0.00 23.12 21.61 3fac s ALA 41 CO 0.24 -0.37 1.21 1.03 0.00 0.00 0.00 175.76 177.87 3fac s ARG 42 N 1.37 3.37 0.22 0.00 0.52 -1.26 0.12 118.95 123.30 3fac s ARG 42 Ca -0.08 1.84 -0.08 0.00 -0.52 0.00 0.00 55.73 56.89 3fac s ARG 42 Cb -0.05 -2.18 0.35 0.00 0.52 0.00 0.00 34.95 33.58 3fac s ARG 42 CO -0.15 -0.89 1.70 -0.07 0.02 0.00 0.00 175.30 175.90 3fac h LEU 43 N 1.49 0.01 0.00 2.53 3.38 -1.65 0.19 115.31 121.27 3fac h LEU 43 Ca -0.50 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3fac h LEU 43 Cb 1.27 0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.19 3fac h LEU 43 CO 0.58 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.57 3fac n SER 44 N -5.13 0.00 -1.19 -0.43 3.41 -1.26 -2.74 113.62 106.28 3fac n SER 44 Ca 0.11 0.40 0.10 0.00 -0.26 0.00 0.00 58.87 59.21 3fac n SER 44 Cb 0.36 -0.45 0.28 0.00 -0.26 0.00 0.00 64.21 64.15 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 -1.45 3.83 -3.70 4.04 8.00 0.67 -4.92 116.55 123.02 3fac n ASP 45 Ca 0.04 -2.13 -0.16 0.00 0.71 0.00 0.00 54.79 53.26 3fac n ASP 45 Cb 0.15 -0.44 -0.15 0.00 -0.02 0.00 0.00 41.12 40.65 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 -1.23 0.29 -0.00 0.64 0.20 -1.11 -0.85 118.68 116.62 3fac s LEU 46 Ca 0.42 0.30 0.00 0.00 0.69 0.00 0.00 54.13 55.55 3fac s LEU 46 Cb 0.24 0.28 -0.00 0.00 -0.43 0.00 0.00 46.19 46.28 3fac s LEU 46 CO 0.26 -0.20 -0.01 0.00 -0.29 0.00 0.00 176.35 176.10 3fac s ARG 47 N 1.79 0.11 -0.32 1.98 1.70 -0.93 -4.96 118.95 118.33 3fac s ARG 47 Ca -0.02 -0.06 -0.29 0.00 -0.47 0.00 0.00 55.73 54.89 3fac s ARG 47 Cb -0.12 -0.11 0.01 0.00 -0.57 0.00 0.00 34.95 34.17 3fac s ARG 47 CO -0.06 0.03 1.16 0.08 -1.08 0.00 0.00 175.30 175.43 3fac s VAL 48 N -0.05 4.36 -0.18 4.99 1.01 -1.26 -1.49 120.40 127.78 3fac s VAL 48 Ca 0.00 1.56 0.17 0.00 0.00 0.00 0.00 61.98 63.71 3fac s VAL 48 Cb -0.01 -4.33 0.03 0.00 0.00 0.00 0.00 36.38 32.07 3fac s VAL 48 CO -0.00 -0.50 1.26 0.58 0.00 0.00 0.00 175.10 176.43 3fac h VAL 49 N 5.83 0.60 -2.46 2.92 2.07 -0.64 -3.46 116.25 121.11 3fac h VAL 49 Ca -0.23 -1.93 -0.09 0.00 0.82 0.00 0.00 66.70 65.28 3fac h VAL 49 Cb 1.07 2.19 -0.23 0.00 -1.52 0.00 0.00 31.29 32.80 3fac h VAL 49 CO 1.04 0.34 -0.11 -0.60 0.02 0.00 0.00 177.57 178.26 3fac s ARG 50 N -3.01 0.60 -1.07 1.57 3.52 -0.59 -4.96 118.95 115.01 3fac s ARG 50 Ca 0.02 0.76 -0.03 0.00 -0.13 0.00 0.00 55.73 56.35 3fac s ARG 50 Cb 0.08 0.27 0.00 0.00 -1.56 0.00 0.00 34.95 33.74 3fac s ARG 50 CO 0.76 -0.08 0.38 0.41 -0.81 0.00 0.00 175.30 175.95 3fac n GLY 51 N 2.97 -0.14 0.26 8.12 0.00 -1.21 -1.73 105.19 113.46 3fac n GLY 51 Ca -0.14 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 0.68 1.51 0.00 4.61 0.00 -1.88 -0.67 119.26 123.51 3fac h ALA 52 Ca -0.36 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3fac h ALA 52 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3fac h ALA 52 CO 0.39 0.13 0.00 1.05 0.00 0.00 0.00 179.25 180.82 3fac h GLU 53 N 0.00 0.00 -0.64 0.00 9.09 -1.96 -3.02 114.58 118.06 3fac h GLU 53 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3fac h GLU 53 Cb 0.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.34 3fac h GLU 53 CO 0.01 0.00 0.00 -1.71 0.05 0.00 0.00 179.01 177.36 3fac n ASN 54 N -2.47 3.63 -4.83 3.06 2.85 -0.26 -4.88 115.26 112.36 3fac n ASN 54 Ca 0.03 -2.39 -0.35 0.00 -0.11 0.00 0.00 54.58 51.76 3fac n ASN 54 Cb 0.35 -0.52 -0.06 0.00 1.24 0.00 0.00 39.78 40.79 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 -1.54 4.16 -0.16 1.20 1.43 -1.14 -1.62 118.68 121.01 3fac s LEU 55 Ca 0.36 0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 53.72 3fac s LEU 55 Cb 0.24 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 3fac s LEU 55 CO 0.15 0.35 0.07 -0.89 0.23 0.00 0.00 176.35 176.26 3fac s THR 56 N -1.10 4.86 -0.21 5.49 2.01 0.34 -4.85 115.64 122.18 3fac s THR 56 Ca 0.19 -0.02 -0.11 0.00 0.31 0.00 0.00 61.69 62.05 3fac s THR 56 Cb -0.12 -3.16 -0.05 0.00 0.01 0.00 0.00 72.50 69.18 3fac s THR 56 CO 0.09 0.50 0.20 -0.22 -0.69 0.00 0.00 174.62 174.50 3fac s LEU 57 N -0.02 4.18 -0.08 4.42 2.96 -1.26 -1.58 118.68 127.30 3fac s LEU 57 Ca 0.06 0.27 0.05 0.00 -0.22 0.00 0.00 54.13 54.29 3fac s LEU 57 Cb -0.12 -2.19 -0.00 0.00 0.50 0.00 0.00 46.19 44.38 3fac s LEU 57 CO 0.01 0.10 -0.23 -0.47 -1.32 0.00 0.00 176.35 174.44 3fac s TYR 58 N 0.69 2.38 0.02 5.38 5.04 0.28 -5.00 117.35 126.14 3fac s TYR 58 Ca 0.11 -0.85 0.01 0.00 -2.44 0.00 0.00 57.07 53.90 3fac s TYR 58 Cb -0.12 -1.58 -0.02 0.00 0.35 0.00 0.00 41.96 40.59 3fac s TYR 58 CO 0.02 -0.31 -0.05 -0.65 -1.34 0.00 0.00 175.55 173.22 3fac s GLN 59 N 0.14 0.38 0.35 4.97 -0.21 -1.26 -2.29 119.66 121.74 3fac s GLN 59 Ca -0.12 -0.51 -0.11 0.00 0.02 0.00 0.00 55.36 54.65 3fac s GLN 59 Cb -0.16 -0.17 0.03 0.00 1.00 0.00 0.00 33.01 33.71 3fac s GLN 59 CO 0.06 0.03 0.64 -0.59 -2.12 0.00 0.00 175.29 173.31 3fac s PHE 60 N -0.99 0.49 0.00 0.91 -0.12 -1.26 -4.96 117.98 112.06 3fac s PHE 60 Ca -0.08 -0.96 0.00 0.00 -0.05 0.00 0.00 56.93 55.84 3fac s PHE 60 Cb -0.07 0.42 0.00 0.00 -0.63 0.00 0.00 43.02 42.74 3fac s PHE 60 CO -0.00 -1.34 0.00 0.41 -0.05 0.00 0.00 175.22 174.24 3fac n GLY 61 N -0.53 3.50 0.32 1.99 0.00 -1.26 0.06 105.19 109.27 3fac n GLY 61 Ca -0.04 0.16 0.21 0.00 0.00 0.00 0.00 46.02 46.34 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 0.05 -5.95 2.61 1.35 -1.99 -3.46 112.91 105.52 3fac h THR 62 Ca 0.00 -0.17 -0.42 0.00 -0.55 0.00 0.00 66.41 65.28 3fac h THR 62 Cb 0.00 1.16 0.10 0.00 -1.73 0.00 0.00 68.15 67.68 3fac h THR 62 CO 0.00 0.01 -0.70 0.54 -0.25 0.00 0.00 175.52 175.11 3fac n ARG 63 N -3.14 -7.37 -0.07 4.72 1.74 0.11 -4.86 116.66 107.78 3fac n ARG 63 Ca -0.02 0.78 -0.09 0.00 -0.77 0.00 0.00 57.85 57.75 3fac n ARG 63 Cb 0.14 -5.79 -0.09 0.00 -1.02 0.00 0.00 32.46 25.71 3fac n ARG 63 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3fac n THR 64 N -4.91 0.89 -2.72 0.55 -1.04 -1.26 -4.95 114.28 100.84 3fac n THR 64 Ca 0.01 -0.44 -0.39 0.00 -2.04 0.00 0.00 64.05 61.18 3fac n THR 64 Cb 0.56 -0.87 -0.06 0.00 -1.82 0.00 0.00 70.33 68.14 3fac n THR 64 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3fac s ALA 65 N -2.31 3.30 -0.31 2.41 0.00 -1.26 -4.85 121.76 118.74 3fac s ALA 65 Ca -0.14 0.63 -0.02 0.00 0.00 0.00 0.00 51.96 52.43 3fac s ALA 65 Cb 0.05 -3.22 0.05 0.00 0.00 0.00 0.00 23.12 20.00 3fac s ALA 65 CO 0.44 0.14 0.02 0.15 0.00 0.00 0.00 175.76 176.51 3fac s LYS 66 N -1.48 2.39 -0.22 0.00 1.02 -1.05 -4.69 119.74 115.70 3fac s LYS 66 Ca 0.44 -1.31 -0.09 0.00 0.02 0.00 0.00 55.97 55.03 3fac s LYS 66 Cb -0.25 -3.22 -0.05 0.00 -0.52 0.00 0.00 37.83 33.80 3fac s LYS 66 CO 0.31 -0.66 0.12 -1.01 -0.92 0.00 0.00 175.35 173.19 3fac s HIS 67 N 1.24 3.28 0.07 3.18 3.76 -0.97 0.55 115.29 126.41 3fac s HIS 67 Ca -0.04 0.13 0.08 0.00 -0.15 0.00 0.00 55.06 55.08 3fac s HIS 67 Cb -0.20 -2.20 -0.03 0.00 1.11 0.00 0.00 32.58 31.26 3fac s HIS 67 CO -0.01 0.07 -0.21 -1.58 -0.85 0.00 0.00 174.74 172.16 3fac s TRP 68 N 0.84 2.48 -0.09 1.40 0.52 -0.63 -0.56 118.94 122.89 3fac s TRP 68 Ca 0.06 -0.30 -0.20 0.00 0.02 0.00 0.00 56.10 55.67 3fac s TRP 68 Cb -0.13 -1.39 0.05 0.00 -1.15 0.00 0.00 33.47 30.84 3fac s TRP 68 CO 0.02 0.27 0.49 -0.59 0.02 0.00 0.00 176.95 177.16 3fac s PHE 69 N -0.97 -0.46 -0.01 -1.98 -0.12 -0.62 -2.93 117.98 110.90 3fac s PHE 69 Ca 0.15 0.93 -0.30 0.00 -0.05 0.00 0.00 56.93 57.65 3fac s PHE 69 Cb -0.10 0.22 -0.07 0.00 -0.63 0.00 0.00 43.02 42.44 3fac s PHE 69 CO 0.06 -0.40 1.70 0.00 -0.05 0.00 0.00 175.22 176.53 3fac n ARG 71 N 6.86 0.02 -0.08 0.00 1.85 -0.64 -0.44 116.66 124.23 3fac n ARG 71 Ca 0.17 0.38 -0.10 0.00 -1.00 0.00 0.00 57.85 57.31 3fac n ARG 71 Cb 0.42 -1.56 -0.04 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 -1.60 1.46 1.16 8.89 -1.04 -1.26 -4.59 114.28 117.29 3fac n THR 72 Ca 0.02 0.13 0.12 0.00 -2.04 0.00 0.00 64.05 62.28 3fac n THR 72 Cb 0.11 -2.31 0.23 0.00 -1.82 0.00 0.00 70.33 66.54 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 1.31 0.35 3.69 0.00 0.00 0.41 -4.96 105.19 106.00 3fac n GLY 74 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.97 3.60 -0.06 -0.61 -1.09 -1.25 -4.67 121.20 115.14 3fac s ILE 75 Ca 0.00 1.01 -0.30 0.00 -2.23 0.00 0.00 60.65 59.14 3fac s ILE 75 Cb 0.00 -3.65 -0.04 0.00 -1.58 0.00 0.00 42.46 37.19 3fac s ILE 75 CO 0.00 0.01 1.35 -0.47 -1.23 0.00 0.00 174.94 174.59 3fac s TYR 76 N 2.28 2.83 -0.20 3.97 5.04 -1.26 -1.93 117.35 128.08 3fac s TYR 76 Ca 0.65 0.89 -0.16 0.00 -2.44 0.00 0.00 57.07 56.01 3fac s TYR 76 Cb -0.33 -3.59 -0.09 0.00 0.35 0.00 0.00 41.96 38.30 3fac s TYR 76 CO 0.28 -2.15 -0.26 0.25 -1.34 0.00 0.00 175.55 172.33 3fac n THR 77 N 4.93 1.50 -3.74 4.34 -2.24 -1.15 -4.68 114.28 113.24 3fac n THR 77 Ca 0.13 -0.01 -0.08 0.00 -2.27 0.00 0.00 64.05 61.83 3fac n THR 77 Cb 0.44 -2.20 -0.02 0.00 -2.10 0.00 0.00 70.33 66.46 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 -2.62 -0.26 0.04 4.78 -3.43 -1.25 -1.64 115.29 110.92 3fac s HIS 78 Ca -0.29 -0.11 -0.08 0.00 -0.80 0.00 0.00 55.06 53.78 3fac s HIS 78 Cb 0.07 0.66 -0.00 0.00 -1.43 0.00 0.00 32.58 31.88 3fac s HIS 78 CO 0.43 -1.07 0.16 -3.38 -2.00 0.00 0.00 174.74 168.88 3fac s HIS 79 N -3.75 0.11 -0.53 0.38 -3.43 -0.05 -1.61 115.29 106.41 3fac s HIS 79 Ca 0.09 -0.39 -0.19 0.00 -0.80 0.00 0.00 55.06 53.77 3fac s HIS 79 Cb -0.04 -0.07 0.07 0.00 -1.43 0.00 0.00 32.58 31.11 3fac s HIS 79 CO 0.01 -0.42 0.65 -1.14 -2.00 0.00 0.00 174.74 171.84 3fac s GLN 80 N -2.75 3.11 -0.07 -0.38 0.74 0.19 0.17 119.66 120.68 3fac s GLN 80 Ca -0.04 -0.97 -0.40 0.00 0.05 0.00 0.00 55.36 54.00 3fac s GLN 80 Cb -0.00 -4.13 -0.19 0.00 1.10 0.00 0.00 33.01 29.78 3fac s GLN 80 CO -0.05 -1.30 1.26 0.54 -0.55 0.00 0.00 175.29 175.19 3fac n ARG 81 N 6.23 0.36 0.17 1.67 1.74 -0.99 -2.53 116.66 123.31 3fac n ARG 81 Ca -0.07 0.13 0.02 0.00 -0.77 0.00 0.00 57.85 57.16 3fac n ARG 81 Cb 0.45 -1.68 0.32 0.00 -1.02 0.00 0.00 32.46 30.53 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 3.94 0.00 -0.12 5.56 1.12 -1.91 -3.08 114.38 119.89 3fac h ARG 82 Ca -0.49 0.00 -0.09 0.00 -1.11 0.00 0.00 59.98 58.29 3fac h ARG 82 Cb 1.39 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.35 3fac h ARG 82 CO 0.75 0.43 -0.26 0.66 -3.11 0.00 0.00 179.97 178.44 3fac h SER 83 N 0.00 0.43 -3.38 -3.80 4.64 -1.98 -3.41 113.55 106.05 3fac h SER 83 Ca -0.00 -0.57 -0.61 0.00 -0.47 0.00 0.00 61.79 60.14 3fac h SER 83 Cb 0.80 -0.13 -0.40 0.00 -0.31 0.00 0.00 62.40 62.36 3fac h SER 83 CO 0.06 0.93 -0.74 0.21 -0.87 0.00 0.00 176.83 176.41 3fac s ASN 84 N -6.32 4.03 0.26 4.97 2.47 -1.17 -4.98 114.94 114.20 3fac s ASN 84 Ca -0.14 -2.07 0.13 0.00 0.42 0.00 0.00 52.86 51.20 3fac s ASN 84 Cb 0.05 -1.06 0.69 0.00 -1.45 0.00 0.00 41.25 39.48 3fac s ASN 84 CO 0.77 -0.36 1.31 -2.65 -3.72 0.00 0.00 177.10 172.45 3fac n PRO 85 N 4.30 0.08 0.00 0.43 -0.02 -1.18 -0.33 135.00 138.28 3fac n PRO 85 Ca 0.02 0.55 0.13 0.00 -2.02 0.00 0.00 63.50 62.18 3fac n PRO 85 Cb 0.39 -1.96 0.34 0.00 -0.02 0.00 0.00 33.50 32.25 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 -1.96 0.50 -4.25 -0.52 -0.58 -1.26 -4.89 120.64 107.66 3fac n GLU 86 Ca -0.01 -0.28 -0.29 0.00 -0.42 0.00 0.00 57.16 56.16 3fac n GLU 86 Cb 0.20 -1.49 -0.10 0.00 -0.57 0.00 0.00 31.44 29.48 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 -2.70 2.04 0.11 3.49 2.02 0.55 -1.67 118.70 122.53 3fac s GLU 87 Ca 0.19 -1.11 0.07 0.00 0.02 0.00 0.00 54.97 54.15 3fac s GLU 87 Cb 0.19 -2.23 -0.04 0.00 0.10 0.00 0.00 34.13 32.14 3fac s GLU 87 CO 0.59 0.49 -0.11 0.71 0.02 0.00 0.00 175.26 176.96 3fac s TYR 88 N -1.29 2.73 -0.25 1.61 2.02 0.12 -2.35 117.35 119.93 3fac s TYR 88 Ca 0.21 -0.16 -0.06 0.00 -0.37 0.00 0.00 57.07 56.69 3fac s TYR 88 Cb -0.11 -1.43 -0.01 0.00 -0.40 0.00 0.00 41.96 40.02 3fac s TYR 88 CO 0.13 0.43 0.02 0.20 -1.57 0.00 0.00 175.55 174.76 3fac s GLY 89 N -2.21 1.70 -0.11 0.71 0.00 0.13 -2.42 107.32 105.12 3fac s GLY 89 Ca 0.21 -1.25 -0.01 0.00 0.00 0.00 0.00 44.72 43.67 3fac s GLY 89 CO 0.14 0.53 -0.07 0.14 0.00 0.00 0.00 173.10 173.84 3fac s VAL 90 N 1.52 3.69 -0.28 1.40 1.01 -0.72 -0.87 120.40 126.14 3fac s VAL 90 Ca 0.05 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 3fac s VAL 90 Cb -0.15 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 3fac s VAL 90 CO 0.00 0.55 1.47 0.21 0.00 0.00 0.00 175.10 177.33 3fac s ASN 91 N -0.25 6.48 0.53 3.32 3.84 -0.65 -1.99 114.94 126.22 3fac s ASN 91 Ca 0.03 1.34 0.22 0.00 0.21 0.00 0.00 52.86 54.67 3fac s ASN 91 Cb -0.13 -2.54 1.43 0.00 -0.55 0.00 0.00 41.25 39.46 3fac s ASN 91 CO 0.03 -1.22 2.14 -0.37 -2.79 0.00 0.00 177.10 174.88 3fac h VAL 92 N 6.13 0.80 0.00 -5.21 -1.51 -1.70 -2.40 116.25 112.35 3fac h VAL 92 Ca -0.30 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 3fac h VAL 92 Cb 1.12 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 31.42 3fac h VAL 92 CO 1.03 0.06 0.00 0.00 -1.23 0.00 0.00 177.57 177.43 3fac h ALA 93 N 1.94 1.00 -0.00 5.19 0.00 -1.82 -2.64 119.26 122.92 3fac h ALA 93 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fac h ALA 93 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3fac h ALA 93 CO 0.01 0.00 -0.48 0.44 0.00 0.00 0.00 179.25 179.22 3fac n ILE 94 N -2.41 0.00 -2.60 0.00 -5.35 -0.90 -4.87 119.36 103.22 3fac n ILE 94 Ca 0.02 -0.05 -0.43 0.00 -0.27 0.00 0.00 62.75 62.01 3fac n ILE 94 Cb 0.24 0.44 -0.02 0.00 -1.74 0.00 0.00 39.64 38.55 3fac n ILE 94 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3fac s LEU 95 N -2.82 4.12 -0.24 7.28 1.43 -1.00 -1.12 118.68 126.34 3fac s LEU 95 Ca 0.15 1.46 -0.41 0.00 -1.03 0.00 0.00 54.13 54.30 3fac s LEU 95 Cb 0.18 -3.54 -0.17 0.00 0.03 0.00 0.00 46.19 42.69 3fac s LEU 95 CO 0.66 -0.68 1.61 1.21 0.23 0.00 0.00 176.35 179.37 3fac n GLU 96 N 6.34 0.87 -0.72 1.70 2.13 0.54 -0.96 120.64 130.54 3fac n GLU 96 Ca 0.12 0.32 0.00 0.00 0.66 0.00 0.00 57.16 58.26 3fac n GLU 96 Cb 0.46 -1.95 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 3.69 0.71 3.27 8.31 0.00 -1.26 -4.90 105.19 115.01 3fac n GLY 97 Ca 0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.46 3.58 -0.42 1.61 1.01 -0.14 -5.05 120.40 118.54 3fac s VAL 98 Ca 0.00 -0.99 -0.14 0.00 0.00 0.00 0.00 61.98 60.85 3fac s VAL 98 Cb 0.00 -2.93 0.04 0.00 0.00 0.00 0.00 36.38 33.48 3fac s VAL 98 CO 0.00 -0.01 0.30 0.21 0.00 0.00 0.00 175.10 175.60 3fac s ASN 99 N 1.40 6.02 0.59 3.32 3.84 -1.26 -4.65 114.94 124.21 3fac s ASN 99 Ca -0.00 -1.05 0.31 0.00 0.21 0.00 0.00 52.86 52.33 3fac s ASN 99 Cb -0.18 -2.13 1.25 0.00 -0.55 0.00 0.00 41.25 39.63 3fac s ASN 99 CO 0.01 -0.49 1.57 1.55 -2.79 0.00 0.00 177.10 176.95 3fac h PRO 100 N 8.61 0.00 -0.90 0.43 0.13 -1.93 0.70 132.00 139.05 3fac h PRO 100 Ca -0.27 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.88 3fac h PRO 100 Cb 1.11 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.19 3fac h PRO 100 CO 0.75 0.00 0.59 -0.09 -0.23 0.00 0.00 178.00 179.03 3fac h ARG 101 N 0.00 1.15 0.00 0.86 2.43 -1.94 -2.42 114.38 114.47 3fac h ARG 101 Ca 0.46 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 3fac h ARG 101 Cb 2.40 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 31.69 3fac h ARG 101 CO -0.00 0.76 0.00 -0.25 -1.51 0.00 0.00 179.97 178.97 3fac n ASP 102 N -4.48 0.34 -0.00 -3.80 8.00 0.24 -2.38 116.55 114.47 3fac n ASP 102 Ca 0.11 0.59 0.15 0.00 0.71 0.00 0.00 54.79 56.35 3fac n ASP 102 Cb 0.04 -0.66 0.80 0.00 -0.02 0.00 0.00 41.12 41.29 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 -1.89 0.00 0.00 0.64 4.77 -0.91 -5.02 117.00 114.60 3fac n LEU 103 Ca 0.02 0.22 0.04 0.00 -0.03 0.00 0.00 56.01 56.26 3fac n LEU 103 Cb 0.18 -0.22 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 3fac n LEU 103 CO 0.16 0.00 -0.05 0.61 -1.33 0.00 0.00 177.39 176.77 3fac n GLY 104 N 1.22 -1.32 3.60 -0.72 0.00 -1.00 -4.58 105.19 102.39 3fac n GLY 104 Ca 0.16 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.49 3.28 0.20 1.61 2.12 -1.26 -4.99 118.70 119.18 3fac s GLU 105 Ca 0.00 1.51 -0.01 0.00 0.36 0.00 0.00 54.97 56.83 3fac s GLU 105 Cb 0.00 -4.23 -0.04 0.00 0.26 0.00 0.00 34.13 30.12 3fac s GLU 105 CO 0.00 -1.93 0.39 0.14 -0.54 0.00 0.00 175.26 173.33 3fac s VAL 106 N 7.20 5.20 0.89 3.70 -7.23 -1.26 -5.10 120.40 123.80 3fac s VAL 106 Ca 0.83 -0.36 -0.11 0.00 -1.81 0.00 0.00 61.98 60.53 3fac s VAL 106 Cb -0.24 -3.73 0.13 0.00 0.56 0.00 0.00 36.38 33.10 3fac s VAL 106 CO 0.33 -0.17 1.09 -2.84 -0.31 0.00 0.00 175.10 173.20 3fac s PRO 107 N -3.32 1.27 0.00 4.82 0.02 -1.26 -4.87 135.00 131.66 3fac s PRO 107 Ca 0.39 0.84 0.12 0.00 0.02 0.00 0.00 61.00 62.37 3fac s PRO 107 Cb -0.11 -1.81 0.10 0.00 0.02 0.00 0.00 34.50 32.70 3fac s PRO 107 CO 0.29 -2.24 0.89 0.91 -0.33 0.00 0.00 177.00 176.53