#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fic s VAL 2 N 0.00 3.89 0.20 3.17 0.11 -1.26 -1.45 120.40 125.05 3fic s VAL 2 Ca 0.00 1.67 0.03 0.00 -2.93 0.00 0.00 61.98 60.74 3fic s VAL 2 Cb 0.00 -3.97 -0.05 0.00 -1.53 0.00 0.00 36.38 30.83 3fic s VAL 2 CO 0.00 0.22 0.00 -0.54 -3.33 0.00 0.00 175.10 171.45 3fic s LYS 3 N -1.87 1.21 -0.27 1.54 1.02 -0.15 -3.81 119.74 117.41 3fic s LYS 3 Ca 0.49 -1.60 0.02 0.00 0.02 0.00 0.00 55.97 54.91 3fic s LYS 3 Cb -0.24 -0.42 0.06 0.00 -0.52 0.00 0.00 37.83 36.72 3fic s LYS 3 CO 0.30 -0.12 -0.08 0.42 -0.92 0.00 0.00 175.35 174.96 3fic s ILE 4 N -3.56 2.34 0.35 2.17 1.09 -1.22 -1.57 121.20 120.80 3fic s ILE 4 Ca 0.26 -1.64 -0.01 0.00 -1.10 0.00 0.00 60.65 58.15 3fic s ILE 4 Cb 0.06 -2.40 0.00 0.00 -1.06 0.00 0.00 42.46 39.06 3fic s ILE 4 CO 0.06 -0.09 0.46 0.00 -0.10 0.00 0.00 174.94 175.27 3fic s ARG 5 N 1.12 1.91 0.18 2.79 1.70 0.21 -1.18 118.95 125.68 3fic s ARG 5 Ca -0.07 -1.79 -0.04 0.00 -0.47 0.00 0.00 55.73 53.37 3fic s ARG 5 Cb -0.20 0.44 -0.05 0.00 -0.57 0.00 0.00 34.95 34.56 3fic s ARG 5 CO -0.04 -0.79 0.40 -0.51 -1.08 0.00 0.00 175.30 173.28 3fic s LEU 6 N -3.25 4.23 -0.11 -1.89 1.02 -1.26 -0.16 118.68 117.25 3fic s LEU 6 Ca 0.31 0.55 -0.01 0.00 0.02 0.00 0.00 54.13 55.00 3fic s LEU 6 Cb -0.00 -3.30 0.03 0.00 0.02 0.00 0.00 46.19 42.94 3fic s LEU 6 CO 0.21 -0.01 -0.05 0.00 0.02 0.00 0.00 176.35 176.53 3fic s ALA 7 N -1.77 1.18 0.73 4.21 0.00 -1.08 -4.86 121.76 120.17 3fic s ALA 7 Ca 0.41 -0.48 -0.15 0.00 0.00 0.00 0.00 51.96 51.73 3fic s ALA 7 Cb -0.12 -0.90 0.04 0.00 0.00 0.00 0.00 23.12 22.14 3fic s ALA 7 CO 0.27 -0.49 1.24 0.50 0.00 0.00 0.00 175.76 177.27 3fic s ARG 8 N 1.77 2.10 0.00 0.00 3.52 -1.26 -1.36 118.95 123.72 3fic s ARG 8 Ca 0.04 1.86 0.00 0.00 -0.13 0.00 0.00 55.73 57.50 3fic s ARG 8 Cb -0.13 -1.82 0.00 0.00 -1.56 0.00 0.00 34.95 31.44 3fic s ARG 8 CO -0.07 -1.89 0.00 1.19 -0.81 0.00 0.00 175.30 173.72 3fic n PHE 9 N -2.65 0.00 -4.90 5.12 3.72 -0.90 -4.88 117.46 112.97 3fic n PHE 9 Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 3fic n PHE 9 Cb 0.50 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 3fic n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fic n GLY 10 N 0.00 1.01 0.00 1.37 0.00 -1.26 -4.05 105.19 102.26 3fic n GLY 10 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 3fic n GLY 10 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3fic n SER 11 N -3.02 1.19 -4.82 1.61 7.64 -1.20 -5.00 113.62 110.02 3fic n SER 11 Ca 0.00 -0.66 -0.32 0.00 1.01 0.00 0.00 58.87 58.90 3fic n SER 11 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 3fic n SER 11 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 3fic s LYS 12 N -0.71 3.34 -1.21 1.43 2.20 -1.26 -3.31 119.74 120.21 3fic s LYS 12 Ca 0.00 1.05 -0.13 0.00 -0.36 0.00 0.00 55.97 56.53 3fic s LYS 12 Cb 0.00 -2.04 0.12 0.00 -1.51 0.00 0.00 37.83 34.40 3fic s LYS 12 CO 0.00 -0.78 0.42 0.72 -0.36 0.00 0.00 175.35 175.35 3fic n HIS 13 N -2.33 -1.60 -2.72 4.03 8.25 -1.26 -4.77 115.22 114.82 3fic n HIS 13 Ca 0.08 0.45 -0.07 0.00 -0.26 0.00 0.00 57.72 57.92 3fic n HIS 13 Cb 0.53 -2.03 0.07 0.00 1.12 0.00 0.00 29.99 29.68 3fic n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3fic n ASN 14 N -2.17 -2.31 -4.56 0.41 5.15 -1.21 -5.15 115.26 105.42 3fic n ASN 14 Ca 0.05 -2.92 -0.31 0.00 -0.60 0.00 0.00 54.58 50.80 3fic n ASN 14 Cb 0.49 1.54 0.18 0.00 -0.53 0.00 0.00 39.78 41.47 3fic n ASN 14 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 3fic n PRO 15 N 1.30 -0.91 -2.86 1.20 -0.02 -1.26 -3.22 135.00 129.23 3fic n PRO 15 Ca 0.06 -0.21 0.01 0.00 -2.02 0.00 0.00 63.50 61.33 3fic n PRO 15 Cb 0.67 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 3fic n PRO 15 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3fic s HIS 16 N -2.53 -0.67 1.00 6.00 3.76 -1.26 -4.73 115.29 116.87 3fic s HIS 16 Ca 0.65 0.08 -0.16 0.00 -0.15 0.00 0.00 55.06 55.48 3fic s HIS 16 Cb -0.23 0.12 0.20 0.00 1.11 0.00 0.00 32.58 33.79 3fic s HIS 16 CO 0.62 -0.46 1.21 0.71 -0.85 0.00 0.00 174.74 175.97 3fic s TYR 17 N 1.88 1.61 -0.23 1.40 1.51 -0.41 -2.13 117.35 120.98 3fic s TYR 17 Ca 0.15 0.52 -0.04 0.00 -1.01 0.00 0.00 57.07 56.69 3fic s TYR 17 Cb 0.02 -3.73 0.08 0.00 -0.11 0.00 0.00 41.96 38.22 3fic s TYR 17 CO -0.13 -2.84 0.12 0.50 -1.11 0.00 0.00 175.55 172.09 3fic s ARG 18 N -5.60 0.14 -0.36 -0.62 3.52 -0.46 -2.97 118.95 112.59 3fic s ARG 18 Ca 0.70 -0.28 -0.30 0.00 -0.13 0.00 0.00 55.73 55.71 3fic s ARG 18 Cb -0.08 -1.45 -0.08 0.00 -1.56 0.00 0.00 34.95 31.77 3fic s ARG 18 CO 0.54 -0.85 2.29 -0.89 -0.81 0.00 0.00 175.30 175.57 3fic n ILE 19 N 5.27 0.18 -4.05 4.11 2.08 0.15 -2.65 119.36 124.45 3fic n ILE 19 Ca -0.06 -0.45 -0.09 0.00 0.56 0.00 0.00 62.75 62.70 3fic n ILE 19 Cb 0.46 -2.22 -0.09 0.00 -0.75 0.00 0.00 39.64 37.04 3fic n ILE 19 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3fic s VAL 20 N 8.97 0.11 -0.22 1.39 0.11 0.77 -0.77 120.40 130.76 3fic s VAL 20 Ca 1.05 -1.64 -0.01 0.00 -2.93 0.00 0.00 61.98 58.45 3fic s VAL 20 Cb -0.51 -1.84 0.02 0.00 -1.53 0.00 0.00 36.38 32.52 3fic s VAL 20 CO 0.38 -0.49 -0.11 0.68 -3.33 0.00 0.00 175.10 172.24 3fic s VAL 21 N -3.99 2.66 0.27 2.04 -7.23 -0.50 0.67 120.40 114.32 3fic s VAL 21 Ca 0.18 -0.92 0.03 0.00 -1.81 0.00 0.00 61.98 59.46 3fic s VAL 21 Cb 0.06 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 3fic s VAL 21 CO -0.02 0.35 0.18 0.42 -0.31 0.00 0.00 175.10 175.73 3fic s THR 22 N 1.33 0.10 0.19 5.32 -4.23 -0.61 0.11 115.64 117.86 3fic s THR 22 Ca 0.03 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.24 3fic s THR 22 Cb -0.15 -2.51 -0.08 0.00 1.34 0.00 0.00 72.50 71.10 3fic s THR 22 CO -0.07 0.00 1.04 -0.62 -0.54 0.00 0.00 174.62 174.42 3fic s ASP 23 N -3.28 7.40 0.21 3.99 -1.08 -1.26 -0.98 116.67 121.67 3fic s ASP 23 Ca 0.39 2.02 -0.19 0.00 -0.52 0.00 0.00 52.55 54.25 3fic s ASP 23 Cb 0.05 -2.61 0.19 0.00 -1.46 0.00 0.00 42.92 39.09 3fic s ASP 23 CO 0.18 -0.09 1.56 0.00 0.52 0.00 0.00 175.17 177.34 3fic h ALA 24 N 4.80 0.05 -1.01 3.66 0.00 -1.58 -1.39 119.26 123.79 3fic h ALA 24 Ca -0.45 0.23 0.29 0.00 0.00 0.00 0.00 54.91 54.98 3fic h ALA 24 Cb 1.21 0.97 -0.13 0.00 0.00 0.00 0.00 17.79 19.84 3fic h ALA 24 CO 0.70 -0.66 0.59 0.00 0.00 0.00 0.00 179.25 179.88 3fic h ARG 25 N -0.05 0.43 -6.96 0.00 3.08 -1.91 -3.42 114.38 105.55 3fic h ARG 25 Ca 0.30 -0.03 -0.55 0.00 0.07 0.00 0.00 59.98 59.78 3fic h ARG 25 Cb 0.58 -0.10 0.19 0.00 0.08 0.00 0.00 29.97 30.71 3fic h ARG 25 CO -0.90 0.29 -0.00 0.54 -1.07 0.00 0.00 179.97 178.83 3fic n ARG 26 N -4.95 0.24 -1.09 0.04 1.74 -0.52 -4.94 116.66 107.18 3fic n ARG 26 Ca 0.29 0.14 -0.29 0.00 -0.77 0.00 0.00 57.85 57.22 3fic n ARG 26 Cb 0.87 -2.17 0.22 0.00 -1.02 0.00 0.00 32.46 30.35 3fic n ARG 26 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3fic s LYS 27 N -3.54 -0.58 0.00 5.56 0.00 -1.26 -4.88 119.74 115.04 3fic s LYS 27 Ca 0.70 0.19 0.00 0.00 0.00 0.00 0.00 55.97 56.86 3fic s LYS 27 Cb -0.31 -1.65 0.00 0.00 0.00 0.00 0.00 37.83 35.87 3fic s LYS 27 CO 0.54 -3.34 0.75 -2.13 0.00 0.00 0.00 175.35 171.17 3fic n ARG 28 N -4.54 0.00 0.00 1.78 0.63 -1.26 -1.96 116.66 111.31 3fic n ARG 28 Ca 0.09 0.43 0.00 0.00 -0.92 0.00 0.00 57.85 57.46 3fic n ARG 28 Cb 0.58 -1.25 0.00 0.00 0.45 0.00 0.00 32.46 32.25 3fic n ARG 28 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3fic n ASP 29 N -1.52 1.01 -3.84 6.15 10.43 -1.26 -4.81 116.55 122.71 3fic n ASP 29 Ca 0.00 -1.71 0.00 0.00 2.57 0.00 0.00 54.79 55.65 3fic n ASP 29 Cb 0.00 -0.43 0.00 0.00 1.84 0.00 0.00 41.12 42.53 3fic n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3fic n GLY 30 N 0.12 -2.89 3.58 0.44 0.00 -0.83 -4.94 105.19 100.67 3fic n GLY 30 Ca 0.00 -1.21 -0.40 0.00 0.00 0.00 0.00 46.02 44.40 3fic n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fic s LYS 31 N 0.00 3.84 0.77 1.61 2.20 -1.26 -4.98 119.74 121.92 3fic s LYS 31 Ca 0.00 0.02 -0.12 0.00 -0.36 0.00 0.00 55.97 55.52 3fic s LYS 31 Cb 0.00 -3.73 0.06 0.00 -1.51 0.00 0.00 37.83 32.65 3fic s LYS 31 CO 0.00 -0.48 1.11 1.52 -0.36 0.00 0.00 175.35 177.14 3fic s TYR 32 N 2.30 3.00 -0.15 4.03 1.13 -1.26 -4.82 117.35 121.58 3fic s TYR 32 Ca 0.19 1.05 0.19 0.00 -1.41 0.00 0.00 57.07 57.08 3fic s TYR 32 Cb -0.16 -3.17 -0.13 0.00 -1.10 0.00 0.00 41.96 37.41 3fic s TYR 32 CO 0.11 -1.61 0.79 -0.89 -2.51 0.00 0.00 175.55 171.45 3fic n ILE 33 N -3.29 0.93 0.00 -3.49 2.08 0.12 -4.96 119.36 110.74 3fic n ILE 33 Ca 0.07 -0.65 0.00 0.00 0.56 0.00 0.00 62.75 62.74 3fic n ILE 33 Cb 0.57 -0.54 0.00 0.00 -0.75 0.00 0.00 39.64 38.93 3fic n ILE 33 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 3fic n GLU 34 N -2.76 0.00 -2.60 0.38 2.13 -1.06 -5.01 120.64 111.73 3fic n GLU 34 Ca -0.08 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.43 3fic n GLU 34 Cb 0.76 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.43 3fic n GLU 34 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3fic s LYS 35 N -0.30 3.87 0.00 5.31 2.20 -1.26 -1.41 119.74 128.14 3fic s LYS 35 Ca 0.00 0.74 0.00 0.00 -0.36 0.00 0.00 55.97 56.35 3fic s LYS 35 Cb 0.00 -2.25 0.00 0.00 -1.51 0.00 0.00 37.83 34.07 3fic s LYS 35 CO 0.00 -0.17 0.00 0.44 -0.36 0.00 0.00 175.35 175.26 3fic n ILE 36 N -1.46 0.00 0.00 5.43 -5.35 0.05 -4.94 119.36 113.10 3fic n ILE 36 Ca 0.05 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.53 3fic n ILE 36 Cb 0.54 1.34 0.00 0.00 -1.74 0.00 0.00 39.64 39.78 3fic n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fic n GLY 37 N 0.00 -0.58 3.08 3.28 0.00 -0.88 -0.36 105.19 109.74 3fic n GLY 37 Ca 0.00 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 3fic n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3fic s TYR 38 N -2.00 0.60 -0.12 1.61 -0.85 -1.14 0.32 117.35 115.76 3fic s TYR 38 Ca 0.00 -0.79 -0.07 0.00 -0.52 0.00 0.00 57.07 55.69 3fic s TYR 38 Cb 0.00 -0.38 0.05 0.00 0.38 0.00 0.00 41.96 42.01 3fic s TYR 38 CO 0.00 -0.21 0.30 -0.47 -1.52 0.00 0.00 175.55 173.65 3fic s TYR 39 N -2.75 -0.41 -0.42 -3.49 5.04 -1.16 -2.86 117.35 111.30 3fic s TYR 39 Ca -0.00 0.93 -0.01 0.00 -2.44 0.00 0.00 57.07 55.55 3fic s TYR 39 Cb -0.01 0.12 0.11 0.00 0.35 0.00 0.00 41.96 42.54 3fic s TYR 39 CO -0.04 -0.26 0.20 0.34 -1.34 0.00 0.00 175.55 174.45 3fic s ASP 40 N 1.17 5.12 0.00 4.32 3.68 -0.63 -1.29 116.67 129.05 3fic s ASP 40 Ca -0.08 -2.17 -0.02 0.00 2.13 0.00 0.00 52.55 52.41 3fic s ASP 40 Cb -0.09 -1.78 -0.09 0.00 -1.45 0.00 0.00 42.92 39.51 3fic s ASP 40 CO -0.09 -0.48 1.57 -0.81 0.13 0.00 0.00 175.17 175.49 3fic n PRO 41 N 4.36 0.72 0.00 4.34 -0.04 -1.26 -1.60 135.00 141.52 3fic n PRO 41 Ca 0.00 -0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.14 3fic n PRO 41 Cb 0.41 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 3fic n PRO 41 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3fic n ARG 42 N 2.62 0.00 -4.10 0.54 1.74 -1.26 -5.05 116.66 111.15 3fic n ARG 42 Ca 0.14 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.85 3fic n ARG 42 Cb 0.33 -0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.75 3fic n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3fic n LYS 43 N 0.00 -1.00 0.21 5.56 4.01 -0.63 -4.81 118.16 121.51 3fic n LYS 43 Ca 0.00 0.16 0.10 0.00 -0.51 0.00 0.00 58.31 58.07 3fic n LYS 43 Cb 0.10 -3.32 0.31 0.00 -0.51 0.00 0.00 35.03 31.60 3fic n LYS 43 CO 0.00 0.00 0.00 1.79 -1.11 0.00 0.00 177.40 178.08 3fic h THR 44 N -2.17 0.32 -3.62 -0.18 1.35 -1.97 -3.43 112.91 103.21 3fic h THR 44 Ca -0.68 -1.20 -0.67 0.00 -0.55 0.00 0.00 66.41 63.31 3fic h THR 44 Cb 1.40 1.94 -0.17 0.00 -1.73 0.00 0.00 68.15 69.59 3fic h THR 44 CO 0.59 0.16 -0.73 -0.89 -0.25 0.00 0.00 175.52 174.40 3fic s THR 45 N -3.35 3.42 0.11 6.82 2.01 -1.26 -4.99 115.64 118.40 3fic s THR 45 Ca 0.04 -1.08 0.33 0.00 0.31 0.00 0.00 61.69 61.29 3fic s THR 45 Cb 0.08 -2.55 0.35 0.00 0.01 0.00 0.00 72.50 70.39 3fic s THR 45 CO 0.65 0.24 1.99 1.55 -0.69 0.00 0.00 174.62 178.36 3fic h PRO 46 N 4.03 0.00 -3.15 4.92 0.13 -2.01 -3.23 132.00 132.69 3fic h PRO 46 Ca -0.48 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 63.94 3fic h PRO 46 Cb 1.17 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.94 3fic h PRO 46 CO 0.53 0.00 -0.06 -0.25 -0.23 0.00 0.00 178.00 177.99 3fic n ASP 47 N -2.77 4.38 0.00 1.44 8.00 -1.26 -4.84 116.55 121.50 3fic n ASP 47 Ca -0.01 -3.20 -0.17 0.00 0.71 0.00 0.00 54.79 52.13 3fic n ASP 47 Cb 0.17 -1.03 -0.14 0.00 -0.02 0.00 0.00 41.12 40.10 3fic n ASP 47 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 3fic h TRP 48 N 5.72 0.33 -2.56 1.24 5.08 -1.90 -3.47 115.95 120.39 3fic h TRP 48 Ca 0.17 -0.24 -0.56 0.00 1.08 0.00 0.00 58.89 59.34 3fic h TRP 48 Cb 0.77 -0.01 -0.08 0.00 -3.00 0.00 0.00 29.16 26.84 3fic h TRP 48 CO 0.75 1.49 -0.59 -1.17 -1.28 0.00 0.00 178.44 177.64 3fic s LEU 49 N -6.73 3.60 -0.30 0.11 2.96 -1.26 -1.60 118.68 115.47 3fic s LEU 49 Ca -0.15 -0.29 -0.20 0.00 -0.22 0.00 0.00 54.13 53.27 3fic s LEU 49 Cb 0.07 -2.19 0.19 0.00 0.50 0.00 0.00 46.19 44.76 3fic s LEU 49 CO 0.80 0.04 1.28 -0.75 -1.32 0.00 0.00 176.35 176.39 3fic s LYS 50 N -3.31 0.12 -0.19 1.98 2.36 -1.13 -4.97 119.74 114.59 3fic s LYS 50 Ca 0.31 0.17 -0.05 0.00 -2.55 0.00 0.00 55.97 53.85 3fic s LYS 50 Cb -0.09 0.04 0.09 0.00 -1.05 0.00 0.00 37.83 36.82 3fic s LYS 50 CO 0.22 -0.02 0.34 0.08 1.55 0.00 0.00 175.35 177.53 3fic s VAL 51 N 0.69 -0.54 -0.23 4.02 1.01 -1.26 -2.89 120.40 121.20 3fic s VAL 51 Ca -0.02 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 3fic s VAL 51 Cb -0.03 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 3fic s VAL 51 CO -0.12 0.01 1.72 -0.62 0.00 0.00 0.00 175.10 176.09 3fic s ASP 52 N 2.51 6.20 -0.06 3.32 3.68 0.52 -4.86 116.67 127.98 3fic s ASP 52 Ca 0.04 1.62 -0.21 0.00 2.13 0.00 0.00 52.55 56.13 3fic s ASP 52 Cb -0.13 -2.53 -0.16 0.00 -1.45 0.00 0.00 42.92 38.65 3fic s ASP 52 CO -0.12 -1.41 0.84 -0.37 0.13 0.00 0.00 175.17 174.24 3fic h VAL 53 N 6.36 0.86 -0.93 1.11 -1.51 -1.97 -2.23 116.25 117.94 3fic h VAL 53 Ca -0.35 -1.17 0.23 0.00 -1.23 0.00 0.00 66.70 64.17 3fic h VAL 53 Cb 1.17 1.46 -0.17 0.00 -2.13 0.00 0.00 31.29 31.61 3fic h VAL 53 CO 1.00 0.23 -0.08 -0.62 -1.23 0.00 0.00 177.57 176.87 3fic n GLU 54 N -4.90 -0.08 0.35 5.19 -0.58 -1.26 0.42 120.64 119.77 3fic n GLU 54 Ca -0.08 1.42 -0.14 0.00 -0.42 0.00 0.00 57.16 57.94 3fic n GLU 54 Cb 0.26 -2.20 -0.07 0.00 -0.57 0.00 0.00 31.44 28.87 3fic n GLU 54 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3fic h ARG 55 N 0.00 -0.88 -0.52 3.49 2.47 -1.97 -0.29 114.38 116.68 3fic h ARG 55 Ca 0.52 0.06 0.13 0.00 -1.26 0.00 0.00 59.98 59.43 3fic h ARG 55 Cb 0.97 0.20 -0.03 0.00 -1.65 0.00 0.00 29.97 29.47 3fic h ARG 55 CO -0.91 -0.58 0.36 0.00 0.56 0.00 0.00 179.97 179.41 3fic h ALA 56 N -1.19 2.33 -0.14 0.04 0.00 0.13 0.16 119.26 120.60 3fic h ALA 56 Ca -0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3fic h ALA 56 Cb 0.71 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3fic h ALA 56 CO 0.15 -0.47 0.02 0.00 0.00 0.00 0.00 179.25 178.95 3fic h ARG 57 N 0.11 0.23 0.45 0.00 2.47 0.85 -3.07 114.38 115.42 3fic h ARG 57 Ca 0.25 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 58.88 3fic h ARG 57 Cb 0.83 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 29.12 3fic h ARG 57 CO -0.03 0.43 -0.26 -0.92 0.56 0.00 0.00 179.97 179.74 3fic h TYR 58 N 0.00 -0.70 0.00 3.04 5.03 0.11 -1.33 116.97 123.12 3fic h TYR 58 Ca 0.04 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.34 3fic h TYR 58 Cb 0.31 0.25 0.00 0.00 1.55 0.00 0.00 36.73 38.84 3fic h TYR 58 CO 0.02 -0.40 0.69 -1.49 -1.32 0.00 0.00 178.16 175.66 3fic h TRP 59 N -0.66 0.00 0.10 -3.82 -0.00 -1.26 1.28 115.95 111.58 3fic h TRP 59 Ca -0.06 0.00 -0.37 0.00 -0.00 0.00 0.00 58.89 58.46 3fic h TRP 59 Cb 0.53 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 29.66 3fic h TRP 59 CO 0.01 0.00 -2.06 1.28 -0.00 0.00 0.00 178.44 177.67 3fic n LEU 60 N -2.48 2.67 0.21 -4.49 4.77 -1.00 -3.46 117.00 113.22 3fic n LEU 60 Ca -0.01 0.16 0.13 0.00 -0.03 0.00 0.00 56.01 56.26 3fic n LEU 60 Cb 0.71 -1.08 0.68 0.00 -2.33 0.00 0.00 43.42 41.40 3fic n LEU 60 CO 0.05 0.85 0.91 0.77 -1.33 0.00 0.00 177.39 178.64 3fic h SER 61 N 0.01 0.00 -0.26 -1.43 4.64 0.28 0.62 113.55 117.41 3fic h SER 61 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3fic h SER 61 Cb 1.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.07 3fic h SER 61 CO 0.04 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.33 3fic n VAL 62 N -2.42 0.62 -0.55 0.95 0.24 -0.75 -5.06 118.33 111.36 3fic n VAL 62 Ca -0.02 -0.81 0.00 0.00 -2.04 0.00 0.00 64.34 61.48 3fic n VAL 62 Cb 0.12 0.80 0.00 0.00 -1.47 0.00 0.00 33.84 33.29 3fic n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fic n GLY 63 N 0.72 -2.49 2.68 7.63 0.00 0.22 -5.07 105.19 108.88 3fic n GLY 63 Ca 0.11 -0.79 -0.05 0.00 0.00 0.00 0.00 46.02 45.29 3fic n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fic n ALA 64 N 0.58 -3.10 -1.67 4.61 0.00 -1.24 -4.79 120.51 114.91 3fic n ALA 64 Ca 0.00 -0.52 -0.65 0.00 0.00 0.00 0.00 53.44 52.27 3fic n ALA 64 Cb 0.00 -2.87 -0.10 0.00 0.00 0.00 0.00 19.45 16.48 3fic n ALA 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3fic n GLN 65 N 1.32 0.20 -3.31 0.00 1.13 -1.25 -3.91 117.38 111.55 3fic n GLN 65 Ca 0.01 0.07 -0.29 0.00 -1.94 0.00 0.00 57.00 54.86 3fic n GLN 65 Cb 0.70 -1.61 -0.03 0.00 0.11 0.00 0.00 30.24 29.41 3fic n GLN 65 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 3fic s PRO 66 N 3.59 3.65 0.79 -1.09 0.04 -1.26 -3.43 135.00 137.28 3fic s PRO 66 Ca 1.06 0.04 -0.16 0.00 0.04 0.00 0.00 61.00 61.99 3fic s PRO 66 Cb -1.42 -2.63 -0.04 0.00 0.04 0.00 0.00 34.50 30.44 3fic s PRO 66 CO 0.77 0.20 0.32 2.41 0.04 0.00 0.00 177.00 180.74 3fic n THR 67 N -0.92 1.07 0.14 1.26 -1.04 -0.32 -4.60 114.28 109.87 3fic n THR 67 Ca -0.01 -0.37 -0.14 0.00 -2.04 0.00 0.00 64.05 61.49 3fic n THR 67 Cb 0.54 -0.58 -0.07 0.00 -1.82 0.00 0.00 70.33 68.39 3fic n THR 67 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3fic h ASP 68 N -0.67 -1.10 0.02 8.00 3.32 -1.96 0.27 116.42 124.30 3fic h ASP 68 Ca -0.45 0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.72 3fic h ASP 68 Cb 1.34 0.41 0.00 0.00 0.22 0.00 0.00 39.33 41.29 3fic h ASP 68 CO 0.39 -0.47 0.00 1.07 -1.72 0.00 0.00 179.24 178.50 3fic n THR 69 N -5.45 0.05 -0.02 0.35 5.66 -1.26 -0.71 114.28 112.90 3fic n THR 69 Ca -0.07 0.01 -0.09 0.00 -3.05 0.00 0.00 64.05 60.85 3fic n THR 69 Cb 0.37 -0.76 -0.14 0.00 -1.55 0.00 0.00 70.33 68.24 3fic n THR 69 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3fic n ALA 70 N -1.02 1.48 0.16 1.79 0.00 0.73 -3.72 120.51 119.92 3fic n ALA 70 Ca 0.11 -0.76 -0.13 0.00 0.00 0.00 0.00 53.44 52.66 3fic n ALA 70 Cb 0.06 -0.84 -0.08 0.00 0.00 0.00 0.00 19.45 18.59 3fic n ALA 70 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3fic h ARG 71 N 0.00 -0.39 0.00 0.00 2.43 0.12 -2.41 114.38 114.14 3fic h ARG 71 Ca -0.29 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 3fic h ARG 71 Cb 2.02 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.66 3fic h ARG 71 CO 0.08 -0.08 0.00 -2.13 -1.51 0.00 0.00 179.97 176.33 3fic n ARG 72 N -5.14 0.00 -0.24 0.20 0.63 -0.88 0.13 116.66 111.35 3fic n ARG 72 Ca -0.10 0.39 -0.02 0.00 -0.92 0.00 0.00 57.85 57.21 3fic n ARG 72 Cb 0.26 -0.78 0.04 0.00 0.45 0.00 0.00 32.46 32.42 3fic n ARG 72 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 3fic h LEU 73 N 0.00 -1.00 -0.07 6.15 3.38 -1.67 0.33 115.31 122.44 3fic h LEU 73 Ca 0.00 0.23 0.02 0.00 0.09 0.00 0.00 57.88 58.22 3fic h LEU 73 Cb 0.00 0.55 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 3fic h LEU 73 CO 0.00 -0.28 -0.28 -0.07 0.09 0.00 0.00 178.44 177.90 3fic h LEU 74 N -0.08 -0.88 -0.41 1.67 3.38 -0.62 0.76 115.31 119.12 3fic h LEU 74 Ca 0.30 0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.41 3fic h LEU 74 Cb 0.55 0.34 -0.06 0.00 0.09 0.00 0.00 40.66 41.59 3fic h LEU 74 CO -0.75 -0.25 -0.30 -0.09 0.09 0.00 0.00 178.44 177.14 3fic h ARG 75 N -0.30 -0.07 -1.54 1.13 2.43 0.26 0.15 114.38 116.44 3fic h ARG 75 Ca 0.02 0.00 0.47 0.00 -0.81 0.00 0.00 59.98 59.66 3fic h ARG 75 Cb 0.35 0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 29.81 3fic h ARG 75 CO -0.22 -0.05 1.06 0.37 -1.51 0.00 0.00 179.97 179.62 3fic h GLN 76 N -0.07 0.05 -0.74 0.20 4.15 0.12 4.59 115.11 123.41 3fic h GLN 76 Ca 0.07 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.48 3fic h GLN 76 Cb 0.25 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.93 3fic h GLN 76 CO -0.42 0.03 0.00 0.00 -1.93 0.00 0.00 178.83 176.51 3fic n ALA 77 N -2.70 2.88 -3.31 3.38 0.00 0.51 -4.88 120.51 116.39 3fic n ALA 77 Ca 0.38 -0.62 -0.14 0.00 0.00 0.00 0.00 53.44 53.06 3fic n ALA 77 Cb 1.61 -1.03 0.04 0.00 0.00 0.00 0.00 19.45 20.07 3fic n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fic n GLY 78 N 0.35 -1.17 0.10 0.00 0.00 1.50 -4.95 105.19 101.02 3fic n GLY 78 Ca 0.09 0.53 -0.11 0.00 0.00 0.00 0.00 46.02 46.53 3fic n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3fic n VAL 79 N -2.94 1.56 -0.09 1.61 0.31 -0.98 -4.56 118.33 113.24 3fic n VAL 79 Ca -0.07 -0.79 -0.12 0.00 -0.01 0.00 0.00 64.34 63.36 3fic n VAL 79 Cb 0.58 -0.98 -0.15 0.00 -0.91 0.00 0.00 33.84 32.38 3fic n VAL 79 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3fic n PHE 80 N -3.03 0.15 -1.66 3.52 3.01 -1.26 -4.95 117.46 113.24 3fic n PHE 80 Ca -0.25 0.05 -0.64 0.00 1.01 0.00 0.00 57.45 57.63 3fic n PHE 80 Cb 1.08 -1.03 -0.09 0.00 -0.01 0.00 0.00 39.48 39.43 3fic n PHE 80 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 3fic n ARG 81 N -2.93 0.34 0.00 -1.08 0.63 -1.26 -4.85 116.66 107.51 3fic n ARG 81 Ca -0.34 0.12 0.04 0.00 -0.92 0.00 0.00 57.85 56.75 3fic n ARG 81 Cb 1.10 -1.69 -0.03 0.00 0.45 0.00 0.00 32.46 32.29 3fic n ARG 81 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3fic n GLN 82 N 5.00 3.62 0.00 -0.14 0.00 -1.26 -5.01 117.38 119.60 3fic n GLN 82 Ca 0.34 -0.19 0.00 0.00 0.00 0.00 0.00 57.00 57.14 3fic n GLN 82 Cb 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 30.24 29.31 3fic n GLN 82 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3fic n GLU 83 N -0.87 0.00 0.00 2.61 -0.58 -1.26 -5.29 120.64 115.24 3fic n GLU 83 Ca 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 3fic n GLU 83 Cb 0.14 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.01 3fic n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65