#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 4.22 -0.06 2.12 2.20 -1.26 -1.83 119.74 125.12 3fac s LYS 2 Ca 0.00 0.79 -0.02 0.00 -0.36 0.00 0.00 55.97 56.38 3fac s LYS 2 Cb 0.00 -2.99 0.04 0.00 -1.51 0.00 0.00 37.83 33.37 3fac s LYS 2 CO 0.00 0.47 0.13 0.20 -0.36 0.00 0.00 175.35 175.79 3fac s GLY 3 N -1.52 -0.00 0.04 5.54 0.00 -0.81 -0.51 107.32 110.06 3fac s GLY 3 Ca 0.39 0.61 0.01 0.00 0.00 0.00 0.00 44.72 45.72 3fac s GLY 3 CO 0.21 1.02 -0.05 -0.51 0.00 0.00 0.00 173.10 173.77 3fac s THR 4 N 1.28 0.32 0.97 0.90 -4.23 0.33 -0.28 115.64 114.94 3fac s THR 4 Ca -0.08 -1.17 -0.16 0.00 -1.18 0.00 0.00 61.69 59.10 3fac s THR 4 Cb -0.12 -0.67 0.20 0.00 1.34 0.00 0.00 72.50 73.26 3fac s THR 4 CO -0.05 -0.56 1.30 0.00 -0.54 0.00 0.00 174.62 174.77 3fac h HIS 6 N -1.69 0.78 -1.00 0.00 2.76 -1.94 -3.01 115.15 111.04 3fac h HIS 6 Ca -0.45 -0.24 0.17 0.00 -2.20 0.00 0.00 60.37 57.65 3fac h HIS 6 Cb 1.24 -0.16 -0.10 0.00 1.55 0.00 0.00 27.41 29.95 3fac h HIS 6 CO -1.16 0.97 0.62 0.00 -1.30 0.00 0.00 177.93 177.07 3fac n GLY 8 N -1.34 1.94 0.32 0.00 0.00 -1.14 -4.91 105.19 100.06 3fac n GLY 8 Ca 0.22 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.24 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 1.18 -3.17 4.61 0.00 -1.87 -3.41 119.26 116.61 3fac h ALA 9 Ca 0.00 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 54.26 3fac h ALA 9 Cb 0.00 -0.24 -0.21 0.00 0.00 0.00 0.00 17.79 17.34 3fac h ALA 9 CO 0.00 0.28 -0.64 0.08 0.00 0.00 0.00 179.25 178.98 3fac s VAL 10 N -6.06 4.18 0.01 0.00 1.01 -1.26 -3.41 120.40 114.86 3fac s VAL 10 Ca -0.13 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.67 3fac s VAL 10 Cb 0.18 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 3fac s VAL 10 CO 0.79 0.43 -0.16 -0.70 0.00 0.00 0.00 175.10 175.47 3fac s GLU 11 N 0.83 1.16 0.23 2.72 2.12 0.48 -2.27 118.70 123.96 3fac s GLU 11 Ca 0.01 -0.67 0.01 0.00 0.36 0.00 0.00 54.97 54.68 3fac s GLU 11 Cb -0.14 -1.16 -0.05 0.00 0.26 0.00 0.00 34.13 33.05 3fac s GLU 11 CO 0.02 0.30 0.08 0.96 -0.54 0.00 0.00 175.26 176.09 3fac s ILE 12 N -0.58 0.50 -0.04 -3.70 -4.36 0.62 -0.14 121.20 113.49 3fac s ILE 12 Ca 0.05 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.45 3fac s ILE 12 Cb -0.07 -2.50 0.02 0.00 1.25 0.00 0.00 42.46 41.17 3fac s ILE 12 CO 0.00 -0.11 -0.02 -0.70 0.24 0.00 0.00 174.94 174.36 3fac s GLU 13 N -4.03 0.52 0.03 0.37 2.12 -0.15 -1.92 118.70 115.65 3fac s GLU 13 Ca 0.35 0.01 -0.11 0.00 0.36 0.00 0.00 54.97 55.58 3fac s GLU 13 Cb 0.07 -0.66 0.01 0.00 0.26 0.00 0.00 34.13 33.82 3fac s GLU 13 CO 0.11 -0.13 0.24 0.54 -0.54 0.00 0.00 175.26 175.48 3fac s VAL 14 N 1.07 0.09 -0.25 3.70 0.11 -0.76 -1.31 120.40 123.05 3fac s VAL 14 Ca -0.09 -0.77 -0.02 0.00 -2.93 0.00 0.00 61.98 58.17 3fac s VAL 14 Cb -0.14 -0.87 0.03 0.00 -1.53 0.00 0.00 36.38 33.87 3fac s VAL 14 CO -0.01 -0.42 -0.05 -1.61 -3.33 0.00 0.00 175.10 169.68 3fac s GLU 15 N -2.40 2.84 0.29 1.54 0.41 0.29 -2.87 118.70 118.81 3fac s GLU 15 Ca -0.06 -0.98 -0.29 0.00 -0.41 0.00 0.00 54.97 53.23 3fac s GLU 15 Cb -0.02 -3.02 -0.10 0.00 -1.78 0.00 0.00 34.13 29.22 3fac s GLU 15 CO -0.03 -0.41 1.27 -0.51 -0.49 0.00 0.00 175.26 175.09 3fac s LEU 16 N 1.33 4.45 0.13 1.80 1.43 -1.26 -4.35 118.68 122.21 3fac s LEU 16 Ca 0.00 2.55 -0.23 0.00 -1.03 0.00 0.00 54.13 55.42 3fac s LEU 16 Cb -0.17 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.39 3fac s LEU 16 CO -0.04 -0.46 1.66 0.25 0.23 0.00 0.00 176.35 177.99 3fac h LEU 17 N 3.91 -0.53 -5.58 1.79 5.85 -1.27 -3.37 115.31 116.11 3fac h LEU 17 Ca -0.48 0.09 -0.40 0.00 0.84 0.00 0.00 57.88 57.93 3fac h LEU 17 Cb 1.22 0.24 -0.29 0.00 0.37 0.00 0.00 40.66 42.20 3fac h LEU 17 CO 0.68 -0.22 -0.87 -3.20 -0.34 0.00 0.00 178.44 174.50 3fac n ASN 18 N -5.31 -0.85 0.00 1.25 5.15 -1.26 -5.08 115.26 109.16 3fac n ASN 18 Ca -0.03 -3.10 0.00 0.00 -0.60 0.00 0.00 54.58 50.85 3fac n ASN 18 Cb 0.23 0.41 0.00 0.00 -0.53 0.00 0.00 39.78 39.89 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 1.00 1.23 0.94 8.20 0.00 -1.26 -3.46 105.19 111.84 3fac n GLY 19 Ca 0.16 -0.54 0.09 0.00 0.00 0.00 0.00 46.02 45.73 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 2.75 0.49 -0.25 1.61 3.72 -1.26 -4.55 117.46 119.96 3fac n PHE 20 Ca 0.00 -0.32 0.12 0.00 -0.05 0.00 0.00 57.45 57.20 3fac n PHE 20 Cb 0.00 -0.01 0.39 0.00 -0.94 0.00 0.00 39.48 38.92 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 3.42 1.85 -0.54 4.37 0.00 -2.00 -1.38 119.26 124.98 3fac h ALA 21 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3fac h ALA 21 Cb 0.84 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3fac h ALA 21 CO 0.00 -0.07 0.00 -0.40 0.00 0.00 0.00 179.25 178.78 3fac n ASP 22 N -4.54 3.90 -4.66 0.00 5.68 -1.26 -4.99 116.55 110.68 3fac n ASP 22 Ca 0.16 -2.33 -0.45 0.00 -0.50 0.00 0.00 54.79 51.68 3fac n ASP 22 Cb 0.45 -0.51 -0.02 0.00 -1.14 0.00 0.00 41.12 39.90 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 0.92 0.75 -3.71 2.12 0.00 -0.52 -4.86 120.51 115.21 3fac n ALA 23 Ca 0.21 0.40 -0.07 0.00 0.00 0.00 0.00 53.44 53.99 3fac n ALA 23 Cb 0.73 -2.20 -0.02 0.00 0.00 0.00 0.00 19.45 17.95 3fac n ALA 23 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3fac s ARG 24 N -0.94 1.36 -0.15 0.00 1.70 -1.03 -4.45 118.95 115.44 3fac s ARG 24 Ca 0.64 -0.70 0.02 0.00 -0.47 0.00 0.00 55.73 55.22 3fac s ARG 24 Cb -0.66 0.50 0.01 0.00 -0.57 0.00 0.00 34.95 34.23 3fac s ARG 24 CO 0.55 -0.62 -0.19 1.03 -1.08 0.00 0.00 175.30 174.99 3fac s ARG 25 N -3.55 3.10 0.22 3.89 0.52 -0.79 -1.88 118.95 120.46 3fac s ARG 25 Ca 0.09 -0.81 -0.30 0.00 -0.52 0.00 0.00 55.73 54.19 3fac s ARG 25 Cb -0.03 -2.52 -0.09 0.00 0.52 0.00 0.00 34.95 32.84 3fac s ARG 25 CO 0.00 -0.01 0.93 0.00 0.02 0.00 0.00 175.30 176.24 3fac n ASP 27 N 1.66 4.45 -4.77 0.00 5.75 -1.24 -3.47 116.55 118.94 3fac n ASP 27 Ca -0.02 -3.00 -0.31 0.00 -0.01 0.00 0.00 54.79 51.45 3fac n ASP 27 Cb 0.47 -0.59 0.09 0.00 -1.03 0.00 0.00 41.12 40.07 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 -1.14 0.30 0.00 0.00 4.64 -1.99 0.14 113.55 115.50 3fac h SER 29 Ca -0.44 0.21 -0.03 0.00 -0.47 0.00 0.00 61.79 61.07 3fac h SER 29 Cb 1.23 0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 63.53 3fac h SER 29 CO 0.52 -0.33 -0.29 0.15 -0.87 0.00 0.00 176.83 176.01 3fac h PHE 30 N 0.05 0.00 -0.63 4.77 3.57 -1.96 -3.33 116.94 119.40 3fac h PHE 30 Ca 0.84 0.00 0.09 0.00 3.53 0.00 0.00 57.97 62.43 3fac h PHE 30 Cb 2.39 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 41.09 3fac h PHE 30 CO -0.01 0.33 0.42 0.00 -2.23 0.00 0.00 178.31 176.82 3fac h ARG 32 N 0.51 0.18 0.00 0.00 0.11 -0.76 0.32 114.38 114.74 3fac h ARG 32 Ca 0.29 -0.04 -0.17 0.00 0.10 0.00 0.00 59.98 60.15 3fac h ARG 32 Cb 0.45 -0.03 -0.02 0.00 1.11 0.00 0.00 29.97 31.48 3fac h ARG 32 CO -0.09 0.32 -0.82 0.00 0.10 0.00 0.00 179.97 179.48 3fac h ARG 33 N 0.17 0.03 0.05 0.08 3.08 -0.77 -3.08 114.38 113.95 3fac h ARG 33 Ca 0.04 -0.04 -0.23 0.00 0.07 0.00 0.00 59.98 59.81 3fac h ARG 33 Cb 0.34 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 3fac h ARG 33 CO 0.02 0.83 -1.05 0.00 -1.07 0.00 0.00 179.97 178.70 3fac h ARG 34 N 0.02 0.22 0.00 0.04 3.08 -0.61 -3.47 114.38 113.66 3fac h ARG 34 Ca -0.01 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.72 3fac h ARG 34 Cb 1.45 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.60 3fac h ARG 34 CO 0.11 1.09 0.00 0.41 -1.07 0.00 0.00 179.97 180.51 3fac n GLY 35 N 1.23 0.14 3.83 0.04 0.00 0.11 -4.97 105.19 105.56 3fac n GLY 35 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.35 2.40 -0.21 4.61 0.00 -1.26 -5.05 121.76 120.90 3fac s ALA 36 Ca 0.00 -0.30 -0.08 0.00 0.00 0.00 0.00 51.96 51.58 3fac s ALA 36 Cb 0.00 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 3fac s ALA 36 CO 0.00 -1.62 0.08 0.42 0.00 0.00 0.00 175.76 174.64 3fac s ILE 37 N -3.25 4.74 0.12 0.00 1.01 -1.26 -4.59 121.20 117.96 3fac s ILE 37 Ca 0.60 -0.04 0.09 0.00 0.00 0.00 0.00 60.65 61.30 3fac s ILE 37 Cb -0.13 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 3fac s ILE 37 CO 0.53 0.41 -0.19 0.00 0.00 0.00 0.00 174.94 175.68 3fac s ALA 38 N 0.83 2.64 0.21 9.38 0.00 -0.79 -1.66 121.76 132.37 3fac s ALA 38 Ca 0.04 -1.36 0.11 0.00 0.00 0.00 0.00 51.96 50.75 3fac s ALA 38 Cb -0.13 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 3fac s ALA 38 CO 0.02 0.59 -0.19 0.00 0.00 0.00 0.00 175.76 176.18 3fac s ALA 39 N -1.12 2.68 0.17 0.00 0.00 -0.71 -2.46 121.76 120.31 3fac s ALA 39 Ca 0.17 -1.65 -0.24 0.00 0.00 0.00 0.00 51.96 50.25 3fac s ALA 39 Cb -0.10 -0.42 -0.08 0.00 0.00 0.00 0.00 23.12 22.52 3fac s ALA 39 CO 0.09 0.41 0.75 0.99 0.00 0.00 0.00 175.76 178.00 3fac s THR 40 N -1.85 4.43 -0.03 0.00 2.01 -1.26 -0.97 115.64 117.98 3fac s THR 40 Ca 0.24 1.58 -0.03 0.00 0.31 0.00 0.00 61.69 63.79 3fac s THR 40 Cb -0.08 -4.06 0.01 0.00 0.01 0.00 0.00 72.50 68.38 3fac s THR 40 CO 0.12 0.46 0.08 0.00 -0.69 0.00 0.00 174.62 174.59 3fac s ALA 41 N -1.23 -0.20 0.54 7.40 0.00 -0.81 -0.72 121.76 126.74 3fac s ALA 41 Ca 0.37 0.15 -0.16 0.00 0.00 0.00 0.00 51.96 52.32 3fac s ALA 41 Cb -0.21 -0.10 -0.07 0.00 0.00 0.00 0.00 23.12 22.74 3fac s ALA 41 CO 0.24 -0.06 1.01 0.50 0.00 0.00 0.00 175.76 177.45 3fac s ARG 42 N -0.18 3.77 0.34 0.00 3.52 -1.26 0.68 118.95 125.81 3fac s ARG 42 Ca -0.02 1.02 0.05 0.00 -0.13 0.00 0.00 55.73 56.64 3fac s ARG 42 Cb -0.02 -2.11 0.69 0.00 -1.56 0.00 0.00 34.95 31.96 3fac s ARG 42 CO 0.00 -0.43 1.92 -0.07 -0.81 0.00 0.00 175.30 175.91 3fac h LEU 43 N 0.75 0.74 -0.23 -0.88 3.38 -1.83 -0.35 115.31 116.89 3fac h LEU 43 Ca -0.47 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3fac h LEU 43 Cb 1.19 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3fac h LEU 43 CO 0.60 0.45 -0.04 -1.54 0.09 0.00 0.00 178.44 178.00 3fac n SER 44 N -4.50 0.40 -0.40 -0.43 3.41 -1.26 -3.59 113.62 107.24 3fac n SER 44 Ca 0.13 -0.78 0.08 0.00 -0.26 0.00 0.00 58.87 58.05 3fac n SER 44 Cb 0.28 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 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 -0.86 1.72 -4.32 4.04 8.00 -0.16 -4.94 116.55 120.04 3fac n ASP 45 Ca 0.18 -1.36 -0.32 0.00 0.71 0.00 0.00 54.79 54.00 3fac n ASP 45 Cb 0.23 0.43 -0.16 0.00 -0.02 0.00 0.00 41.12 41.60 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 -2.01 2.19 -0.12 0.64 0.20 -1.12 -0.55 118.68 117.91 3fac s LEU 46 Ca 0.14 -0.44 -0.09 0.00 0.69 0.00 0.00 54.13 54.43 3fac s LEU 46 Cb 0.13 -1.40 0.04 0.00 -0.43 0.00 0.00 46.19 44.53 3fac s LEU 46 CO 0.40 0.28 0.32 -0.60 -0.29 0.00 0.00 176.35 176.46 3fac s ARG 47 N -0.37 0.34 -0.19 1.98 3.52 -0.43 -4.96 118.95 118.83 3fac s ARG 47 Ca 0.03 0.51 -0.26 0.00 -0.13 0.00 0.00 55.73 55.88 3fac s ARG 47 Cb -0.12 0.08 -0.01 0.00 -1.56 0.00 0.00 34.95 33.34 3fac s ARG 47 CO 0.02 -0.09 0.89 0.08 -0.81 0.00 0.00 175.30 175.39 3fac s VAL 48 N 0.60 4.82 0.04 7.11 1.01 -1.26 -0.97 120.40 131.74 3fac s VAL 48 Ca -0.04 1.74 -0.04 0.00 0.00 0.00 0.00 61.98 63.65 3fac s VAL 48 Cb -0.05 -4.19 -0.28 0.00 0.00 0.00 0.00 36.38 31.86 3fac s VAL 48 CO -0.04 -0.04 0.99 0.58 0.00 0.00 0.00 175.10 176.60 3fac h VAL 49 N 5.29 1.32 -2.22 2.92 2.07 -0.85 -3.48 116.25 121.31 3fac h VAL 49 Ca -0.26 -2.93 0.04 0.00 0.82 0.00 0.00 66.70 64.38 3fac h VAL 49 Cb 1.11 2.85 -0.17 0.00 -1.52 0.00 0.00 31.29 33.56 3fac h VAL 49 CO 0.88 0.85 0.38 -0.60 0.02 0.00 0.00 177.57 179.10 3fac s ARG 50 N -2.64 0.92 0.00 1.57 3.52 -0.89 -4.96 118.95 116.47 3fac s ARG 50 Ca -0.06 -0.12 0.00 0.00 -0.13 0.00 0.00 55.73 55.42 3fac s ARG 50 Cb 0.07 0.43 0.00 0.00 -1.56 0.00 0.00 34.95 33.89 3fac s ARG 50 CO 0.87 -0.36 0.00 0.41 -0.81 0.00 0.00 175.30 175.41 3fac n GLY 51 N 0.19 0.54 0.33 8.12 0.00 -1.22 -0.39 105.19 112.76 3fac n GLY 51 Ca -0.13 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 45.86 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 1.91 0.00 4.61 0.00 -1.91 0.19 119.26 124.06 3fac h ALA 52 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3fac h ALA 52 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3fac h ALA 52 CO 0.00 0.01 0.00 -0.85 0.00 0.00 0.00 179.25 178.41 3fac n GLU 53 N -4.48 0.49 -0.22 0.00 0.00 -1.26 -2.09 120.64 113.08 3fac n GLU 53 Ca 0.06 0.04 0.08 0.00 0.00 0.00 0.00 57.16 57.35 3fac n GLU 53 Cb 0.23 -1.50 0.20 0.00 0.00 0.00 0.00 31.44 30.38 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 -1.16 3.24 -4.67 -1.84 2.85 0.65 -4.92 115.26 109.40 3fac n ASN 54 Ca 0.14 -1.95 -0.38 0.00 -0.11 0.00 0.00 54.58 52.28 3fac n ASN 54 Cb 0.14 -0.29 -0.08 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 -1.06 4.15 0.07 1.20 1.43 -0.89 -1.53 118.68 122.05 3fac s LEU 55 Ca 0.32 0.46 -0.17 0.00 -1.03 0.00 0.00 54.13 53.72 3fac s LEU 55 Cb 0.17 -2.46 -0.06 0.00 0.03 0.00 0.00 46.19 43.87 3fac s LEU 55 CO 0.23 -0.06 0.52 -0.89 0.23 0.00 0.00 176.35 176.39 3fac s THR 56 N 1.27 4.84 -0.09 5.49 2.01 0.13 -4.89 115.64 124.39 3fac s THR 56 Ca 0.17 1.04 -0.03 0.00 0.31 0.00 0.00 61.69 63.19 3fac s THR 56 Cb -0.15 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 3fac s THR 56 CO 0.07 0.50 0.03 -0.22 -0.69 0.00 0.00 174.62 174.32 3fac s LEU 57 N -1.26 3.75 -0.02 4.42 2.96 -1.26 -2.50 118.68 124.77 3fac s LEU 57 Ca 0.29 0.20 -0.00 0.00 -0.22 0.00 0.00 54.13 54.40 3fac s LEU 57 Cb -0.18 -1.90 0.03 0.00 0.50 0.00 0.00 46.19 44.65 3fac s LEU 57 CO 0.18 0.38 0.03 -0.47 -1.32 0.00 0.00 176.35 175.14 3fac s TYR 58 N -0.93 0.03 0.01 5.38 5.04 -0.27 -4.99 117.35 121.61 3fac s TYR 58 Ca 0.14 0.14 0.01 0.00 -2.44 0.00 0.00 57.07 54.92 3fac s TYR 58 Cb -0.11 -0.26 -0.01 0.00 0.35 0.00 0.00 41.96 41.93 3fac s TYR 58 CO 0.03 -0.10 -0.03 -0.65 -1.34 0.00 0.00 175.55 173.47 3fac s GLN 59 N 1.16 0.25 0.34 4.97 -0.21 -1.26 -2.31 119.66 122.60 3fac s GLN 59 Ca -0.08 -0.22 0.01 0.00 0.02 0.00 0.00 55.36 55.09 3fac s GLN 59 Cb -0.13 -0.17 -0.01 0.00 1.00 0.00 0.00 33.01 33.71 3fac s GLN 59 CO -0.03 0.04 0.40 -0.59 -2.12 0.00 0.00 175.29 172.99 3fac s PHE 60 N -0.37 1.34 0.00 0.91 -0.12 -1.26 -4.92 117.98 113.56 3fac s PHE 60 Ca -0.02 -1.45 0.00 0.00 -0.05 0.00 0.00 56.93 55.41 3fac s PHE 60 Cb -0.03 -0.32 0.00 0.00 -0.63 0.00 0.00 43.02 42.04 3fac s PHE 60 CO -0.00 -1.04 0.00 0.41 -0.05 0.00 0.00 175.22 174.53 3fac n GLY 61 N -0.59 3.23 0.00 1.99 0.00 -1.26 0.12 105.19 108.68 3fac n GLY 61 Ca 0.03 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.06 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 1.11 -2.37 2.61 -2.24 -1.26 -4.80 114.28 107.33 3fac n THR 62 Ca 0.00 0.28 -0.10 0.00 -2.27 0.00 0.00 64.05 61.96 3fac n THR 62 Cb 0.00 -1.19 -0.01 0.00 -2.10 0.00 0.00 70.33 67.03 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 -1.34 -2.30 0.01 -0.78 1.74 0.12 -4.78 116.66 109.33 3fac n ARG 63 Ca 0.02 0.49 -0.14 0.00 -0.77 0.00 0.00 57.85 57.45 3fac n ARG 63 Cb 0.05 -5.04 -0.14 0.00 -1.02 0.00 0.00 32.46 26.31 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 0.94 -3.78 0.55 2.02 -1.87 -3.47 112.91 107.30 3fac h THR 64 Ca -0.23 -2.69 -0.50 0.00 0.77 0.00 0.00 66.41 63.76 3fac h THR 64 Cb 1.14 2.56 0.03 0.00 -1.74 0.00 0.00 68.15 70.14 3fac h THR 64 CO 0.28 0.71 0.18 0.00 0.37 0.00 0.00 175.52 177.06 3fac s ALA 65 N -2.60 3.32 -0.15 6.16 0.00 -1.26 -4.83 121.76 122.40 3fac s ALA 65 Ca -0.10 -0.33 -0.00 0.00 0.00 0.00 0.00 51.96 51.53 3fac s ALA 65 Cb 0.07 -2.73 0.03 0.00 0.00 0.00 0.00 23.12 20.50 3fac s ALA 65 CO 0.82 -0.34 -0.06 0.15 0.00 0.00 0.00 175.76 176.32 3fac s LYS 66 N -4.62 1.51 -0.15 0.00 1.02 -1.00 -4.73 119.74 111.76 3fac s LYS 66 Ca 0.50 -0.43 -0.04 0.00 0.02 0.00 0.00 55.97 56.03 3fac s LYS 66 Cb -0.10 -1.86 -0.03 0.00 -0.52 0.00 0.00 37.83 35.32 3fac s LYS 66 CO 0.43 -0.36 -0.04 -1.01 -0.92 0.00 0.00 175.35 173.45 3fac s HIS 67 N 1.65 3.02 0.02 3.18 3.76 -0.98 -0.52 115.29 125.43 3fac s HIS 67 Ca 0.02 -0.30 0.08 0.00 -0.15 0.00 0.00 55.06 54.71 3fac s HIS 67 Cb -0.14 -1.95 -0.02 0.00 1.11 0.00 0.00 32.58 31.58 3fac s HIS 67 CO -0.08 -0.03 -0.23 -1.58 -0.85 0.00 0.00 174.74 171.97 3fac s TRP 68 N 0.33 2.00 0.14 1.40 0.51 -0.97 -1.12 118.94 121.24 3fac s TRP 68 Ca -0.04 -0.38 -0.13 0.00 -2.12 0.00 0.00 56.10 53.43 3fac s TRP 68 Cb -0.14 -1.23 0.01 0.00 -0.81 0.00 0.00 33.47 31.30 3fac s TRP 68 CO 0.03 0.05 0.34 -0.59 -0.51 0.00 0.00 176.95 176.28 3fac s PHE 69 N -0.70 0.08 -0.22 -1.98 -0.12 -1.04 -2.83 117.98 111.17 3fac s PHE 69 Ca 0.09 -0.44 -0.29 0.00 -0.05 0.00 0.00 56.93 56.24 3fac s PHE 69 Cb -0.09 0.12 0.01 0.00 -0.63 0.00 0.00 43.02 42.43 3fac s PHE 69 CO 0.01 -0.72 1.03 0.00 -0.05 0.00 0.00 175.22 175.49 3fac h ARG 71 N 7.44 0.00 0.00 0.00 0.11 -1.63 0.49 114.38 120.79 3fac h ARG 71 Ca -0.20 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.86 3fac h ARG 71 Cb 1.07 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.14 3fac h ARG 71 CO 0.97 0.00 -0.72 2.41 0.10 0.00 0.00 179.97 182.73 3fac n THR 72 N -2.48 1.45 0.87 0.08 -1.04 -1.26 -4.64 114.28 107.27 3fac n THR 72 Ca -0.02 0.18 0.11 0.00 -2.04 0.00 0.00 64.05 62.28 3fac n THR 72 Cb 0.05 -2.36 0.06 0.00 -1.82 0.00 0.00 70.33 66.26 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 1.46 0.47 3.70 0.00 0.00 0.17 -4.98 105.19 106.01 3fac n GLY 74 Ca 0.04 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.88 4.81 -0.11 -0.61 -1.09 -1.26 -4.62 121.20 116.45 3fac s ILE 75 Ca 0.00 2.03 -0.30 0.00 -2.23 0.00 0.00 60.65 60.15 3fac s ILE 75 Cb 0.00 -4.30 -0.02 0.00 -1.58 0.00 0.00 42.46 36.56 3fac s ILE 75 CO 0.00 0.11 1.18 -0.47 -1.23 0.00 0.00 174.94 174.53 3fac s TYR 76 N 1.30 3.15 -0.25 3.97 5.04 -1.26 -1.31 117.35 128.00 3fac s TYR 76 Ca 0.51 1.23 -0.15 0.00 -2.44 0.00 0.00 57.07 56.22 3fac s TYR 76 Cb -0.21 -3.40 -0.11 0.00 0.35 0.00 0.00 41.96 38.59 3fac s TYR 76 CO 0.25 -1.20 -0.29 0.25 -1.34 0.00 0.00 175.55 173.22 3fac n THR 77 N 4.87 1.52 -3.70 4.34 -2.24 -1.13 -4.59 114.28 113.36 3fac n THR 77 Ca 0.12 -0.22 -0.06 0.00 -2.27 0.00 0.00 64.05 61.62 3fac n THR 77 Cb 0.46 -2.01 -0.02 0.00 -2.10 0.00 0.00 70.33 66.66 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 -2.57 -0.21 -0.02 4.78 -3.43 -1.25 -1.35 115.29 111.24 3fac s HIS 78 Ca -0.35 -0.08 -0.18 0.00 -0.80 0.00 0.00 55.06 53.66 3fac s HIS 78 Cb 0.11 0.62 0.03 0.00 -1.43 0.00 0.00 32.58 31.92 3fac s HIS 78 CO 0.48 -0.83 0.37 -3.38 -2.00 0.00 0.00 174.74 169.38 3fac s HIS 79 N -3.37 -0.27 -0.33 0.38 -3.43 -0.67 -2.29 115.29 105.32 3fac s HIS 79 Ca 0.10 0.43 -0.24 0.00 -0.80 0.00 0.00 55.06 54.54 3fac s HIS 79 Cb -0.02 0.15 0.01 0.00 -1.43 0.00 0.00 32.58 31.29 3fac s HIS 79 CO -0.00 -0.42 0.84 -1.14 -2.00 0.00 0.00 174.74 172.01 3fac s GLN 80 N -1.27 3.92 0.54 -0.38 0.74 0.33 0.16 119.66 123.69 3fac s GLN 80 Ca -0.13 0.59 -0.21 0.00 0.05 0.00 0.00 55.36 55.66 3fac s GLN 80 Cb -0.04 -3.75 -0.06 0.00 1.10 0.00 0.00 33.01 30.25 3fac s GLN 80 CO 0.05 -0.77 1.16 0.54 -0.55 0.00 0.00 175.29 175.73 3fac n ARG 81 N 6.38 1.37 -0.03 1.67 1.74 -0.76 -2.38 116.66 124.66 3fac n ARG 81 Ca 0.05 0.51 -0.16 0.00 -0.77 0.00 0.00 57.85 57.48 3fac n ARG 81 Cb 0.48 -2.34 -0.13 0.00 -1.02 0.00 0.00 32.46 29.45 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 1.15 0.12 -1.00 5.56 2.43 -1.91 -3.18 114.38 117.55 3fac h ARG 82 Ca -0.49 -0.19 0.02 0.00 -0.81 0.00 0.00 59.98 58.52 3fac h ARG 82 Cb 1.33 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.89 3fac h ARG 82 CO 0.55 1.04 0.66 0.66 -1.51 0.00 0.00 179.97 181.38 3fac h SER 83 N -0.71 1.13 -3.28 -3.80 4.64 -1.98 -3.36 113.55 106.19 3fac h SER 83 Ca -0.05 -0.02 -0.60 0.00 -0.47 0.00 0.00 61.79 60.65 3fac h SER 83 Cb 1.18 -0.27 -0.40 0.00 -0.31 0.00 0.00 62.40 62.59 3fac h SER 83 CO 0.05 0.80 -0.76 0.21 -0.87 0.00 0.00 176.83 176.27 3fac s ASN 84 N -6.07 3.65 0.00 4.97 2.47 -1.25 -4.97 114.94 113.73 3fac s ASN 84 Ca -0.13 -2.31 0.00 0.00 0.42 0.00 0.00 52.86 50.84 3fac s ASN 84 Cb 0.18 -0.90 0.00 0.00 -1.45 0.00 0.00 41.25 39.09 3fac s ASN 84 CO 0.82 -0.31 0.92 -2.65 -3.72 0.00 0.00 177.10 172.16 3fac n PRO 85 N 3.95 0.00 0.00 0.43 -0.02 -1.20 -1.41 135.00 136.75 3fac n PRO 85 Ca 0.06 0.42 0.13 0.00 -2.02 0.00 0.00 63.50 62.10 3fac n PRO 85 Cb 0.37 -1.53 0.36 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 -1.42 1.71 -4.12 -0.52 -0.58 -1.26 -4.89 120.64 109.56 3fac n GLU 86 Ca 0.00 -1.16 -0.10 0.00 -0.42 0.00 0.00 57.16 55.48 3fac n GLU 86 Cb 0.03 -1.48 -0.10 0.00 -0.57 0.00 0.00 31.44 29.32 3fac n GLU 86 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 3fac s GLU 87 N -2.09 0.69 0.25 3.49 -1.05 -0.50 -2.52 118.70 116.97 3fac s GLU 87 Ca 0.32 -1.14 0.07 0.00 -0.15 0.00 0.00 54.97 54.07 3fac s GLU 87 Cb 0.20 -0.12 -0.04 0.00 -0.44 0.00 0.00 34.13 33.74 3fac s GLU 87 CO 0.36 -0.02 0.21 0.71 0.95 0.00 0.00 175.26 177.47 3fac s TYR 88 N -3.07 3.14 -0.02 4.83 2.02 0.21 -1.83 117.35 122.64 3fac s TYR 88 Ca 0.04 -0.10 0.03 0.00 -0.37 0.00 0.00 57.07 56.67 3fac s TYR 88 Cb 0.02 -1.42 -0.03 0.00 -0.40 0.00 0.00 41.96 40.12 3fac s TYR 88 CO -0.04 0.52 -0.07 0.20 -1.57 0.00 0.00 175.55 174.58 3fac s GLY 89 N -3.81 1.72 -0.05 0.71 0.00 0.12 -1.93 107.32 104.09 3fac s GLY 89 Ca 0.33 -0.98 0.02 0.00 0.00 0.00 0.00 44.72 44.09 3fac s GLY 89 CO 0.25 -0.82 -0.09 0.14 0.00 0.00 0.00 173.10 172.59 3fac s VAL 90 N -0.93 0.84 -0.56 1.40 1.01 -0.14 -1.66 120.40 120.36 3fac s VAL 90 Ca 0.15 -0.32 -0.26 0.00 0.00 0.00 0.00 61.98 61.55 3fac s VAL 90 Cb -0.11 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 3fac s VAL 90 CO 0.05 0.28 2.11 0.21 0.00 0.00 0.00 175.10 177.76 3fac s ASN 91 N 0.64 4.88 0.50 3.32 3.84 -0.45 -1.75 114.94 125.92 3fac s ASN 91 Ca -0.11 0.67 0.26 0.00 0.21 0.00 0.00 52.86 53.89 3fac s ASN 91 Cb -0.14 -2.52 1.34 0.00 -0.55 0.00 0.00 41.25 39.39 3fac s ASN 91 CO 0.02 -2.61 1.92 -0.37 -2.79 0.00 0.00 177.10 173.26 3fac h VAL 92 N 7.26 0.65 0.00 -5.21 -1.51 -1.65 -1.12 116.25 114.67 3fac h VAL 92 Ca -0.25 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.18 3fac h VAL 92 Cb 1.21 0.53 0.00 0.00 -2.13 0.00 0.00 31.29 30.90 3fac h VAL 92 CO 1.19 0.02 0.00 0.00 -1.23 0.00 0.00 177.57 177.55 3fac h ALA 93 N 1.63 1.00 -0.00 5.19 0.00 -1.83 -2.14 119.26 123.11 3fac h ALA 93 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3fac h ALA 93 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3fac h ALA 93 CO -0.05 0.00 -0.43 0.44 0.00 0.00 0.00 179.25 179.21 3fac n ILE 94 N -2.56 0.00 -2.55 0.00 -5.35 -0.42 -4.84 119.36 103.63 3fac n ILE 94 Ca 0.00 -0.02 -0.43 0.00 -0.27 0.00 0.00 62.75 62.04 3fac n ILE 94 Cb 0.17 0.21 -0.02 0.00 -1.74 0.00 0.00 39.64 38.26 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 -2.93 4.15 -0.27 7.28 1.43 -0.81 -0.51 118.68 127.01 3fac s LEU 95 Ca 0.13 1.53 -0.39 0.00 -1.03 0.00 0.00 54.13 54.38 3fac s LEU 95 Cb 0.18 -3.54 -0.14 0.00 0.03 0.00 0.00 46.19 42.71 3fac s LEU 95 CO 0.66 -0.70 1.85 1.21 0.23 0.00 0.00 176.35 179.61 3fac n GLU 96 N 6.37 1.25 -0.47 1.70 2.13 0.34 -1.55 120.64 130.40 3fac n GLU 96 Ca 0.13 0.44 0.00 0.00 0.66 0.00 0.00 57.16 58.39 3fac n GLU 96 Cb 0.46 -2.22 0.00 0.00 0.27 0.00 0.00 31.44 29.94 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 4.74 0.76 3.24 8.31 0.00 -1.26 -4.90 105.19 116.09 3fac n GLY 97 Ca 0.29 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.94 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 3.34 -0.38 1.61 1.01 -0.59 -5.07 120.40 118.32 3fac s VAL 98 Ca 0.00 -1.06 -0.15 0.00 0.00 0.00 0.00 61.98 60.78 3fac s VAL 98 Cb 0.00 -2.80 0.01 0.00 0.00 0.00 0.00 36.38 33.59 3fac s VAL 98 CO 0.00 0.02 0.32 0.21 0.00 0.00 0.00 175.10 175.64 3fac s ASN 99 N 1.36 6.12 0.46 3.32 3.84 -1.26 -4.67 114.94 124.11 3fac s ASN 99 Ca -0.01 -0.63 0.25 0.00 0.21 0.00 0.00 52.86 52.68 3fac s ASN 99 Cb -0.18 -2.17 1.28 0.00 -0.55 0.00 0.00 41.25 39.63 3fac s ASN 99 CO -0.00 -0.40 1.80 1.55 -2.79 0.00 0.00 177.10 177.25 3fac h PRO 100 N 8.58 0.23 -0.81 0.43 0.13 -1.93 0.13 132.00 138.76 3fac h PRO 100 Ca -0.28 -0.01 0.14 0.00 -0.87 0.00 0.00 66.00 64.97 3fac h PRO 100 Cb 1.13 -0.05 -0.06 0.00 0.13 0.00 0.00 31.00 32.15 3fac h PRO 100 CO 0.71 0.15 0.53 -0.09 -0.23 0.00 0.00 178.00 179.07 3fac h ARG 101 N 0.23 0.54 0.00 0.86 2.43 -1.93 -1.39 114.38 115.12 3fac h ARG 101 Ca 0.56 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.70 3fac h ARG 101 Cb 1.75 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.17 3fac h ARG 101 CO -0.18 0.36 0.00 -0.25 -1.51 0.00 0.00 179.97 178.39 3fac n ASP 102 N -4.51 0.00 0.01 -3.80 9.92 0.47 -2.84 116.55 115.79 3fac n ASP 102 Ca 0.15 -0.36 0.12 0.00 -0.53 0.00 0.00 54.79 54.17 3fac n ASP 102 Cb 0.48 -0.10 0.18 0.00 -0.64 0.00 0.00 41.12 41.04 3fac n ASP 102 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3fac n LEU 103 N -1.10 0.59 0.00 0.64 4.77 -0.52 -5.06 117.00 116.32 3fac n LEU 103 Ca 0.12 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3fac n LEU 103 Cb 0.09 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3fac n LEU 103 CO 0.11 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 3fac n GLY 104 N 1.47 -0.35 3.48 -0.72 0.00 -1.13 -4.65 105.19 103.28 3fac n GLY 104 Ca 0.05 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 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 3.19 0.03 1.61 2.56 -1.26 -4.97 118.70 119.86 3fac s GLU 105 Ca 0.00 -0.64 -0.14 0.00 0.00 0.00 0.00 54.97 54.19 3fac s GLU 105 Cb 0.00 -4.03 -0.06 0.00 2.00 0.00 0.00 34.13 32.04 3fac s GLU 105 CO 0.00 -1.14 0.43 0.14 -0.56 0.00 0.00 175.26 174.13 3fac s VAL 106 N 2.77 5.00 0.98 3.70 -7.23 -1.26 -5.07 120.40 119.29 3fac s VAL 106 Ca 0.19 0.80 -0.11 0.00 -1.81 0.00 0.00 61.98 61.05 3fac s VAL 106 Cb -0.17 -3.72 0.18 0.00 0.56 0.00 0.00 36.38 33.24 3fac s VAL 106 CO 0.15 0.50 1.11 -2.84 -0.31 0.00 0.00 175.10 173.71 3fac s PRO 107 N -1.29 0.54 -0.27 4.82 0.02 -1.26 -4.71 135.00 132.84 3fac s PRO 107 Ca 0.27 1.31 -0.10 0.00 0.02 0.00 0.00 61.00 62.50 3fac s PRO 107 Cb -0.16 -1.69 -0.04 0.00 0.02 0.00 0.00 34.50 32.62 3fac s PRO 107 CO 0.15 -2.88 0.15 -1.58 -0.33 0.00 0.00 177.00 172.51 3fac s TRP 108 N -2.62 3.18 -2.00 6.54 0.52 -1.26 -1.88 118.94 121.42 3fac s TRP 108 Ca 0.67 -0.04 0.21 0.00 0.02 0.00 0.00 56.10 56.96 3fac s TRP 108 Cb -0.23 -2.33 1.27 0.00 -1.15 0.00 0.00 33.47 31.03 3fac s TRP 108 CO 0.60 -0.21 1.65 0.25 0.02 0.00 0.00 176.95 179.25