#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1o n SER 3 N 0.00 0.00 -2.38 2.89 3.41 -1.26 -4.91 113.62 111.37 3i1o n SER 3 Ca 0.00 0.46 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 3i1o n SER 3 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3i1o n SER 3 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3i1o n LEU 4 N -0.46 0.00 0.00 1.04 4.32 -1.26 -5.11 117.00 115.53 3i1o n LEU 4 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3i1o n LEU 4 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 3i1o n LEU 4 CO 0.00 0.00 0.00 2.29 -1.22 0.00 0.00 177.39 178.46 3i1o n LYS 5 N 0.00 0.65 -2.46 3.23 -0.00 -1.26 -5.07 118.16 113.25 3i1o n LYS 5 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.89 3i1o n LYS 5 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.00 3i1o n LYS 5 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3i1o s LYS 6 N 4.22 4.38 -0.17 -1.58 3.01 -1.26 -4.45 119.74 123.89 3i1o s LYS 6 Ca 0.00 1.69 -0.06 0.00 -1.01 0.00 0.00 55.97 56.59 3i1o s LYS 6 Cb 0.00 -3.50 0.02 0.00 -1.01 0.00 0.00 37.83 33.34 3i1o s LYS 6 CO 0.00 -0.38 0.12 0.41 0.51 0.00 0.00 175.35 176.01 3i1o n GLY 7 N 3.31 -4.41 3.67 -3.33 0.00 -1.26 -4.81 105.19 98.35 3i1o n GLY 7 Ca 0.10 0.90 -0.62 0.00 0.00 0.00 0.00 46.02 46.41 3i1o n GLY 7 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i1o n PRO 8 N 0.99 0.44 -1.43 1.61 -0.02 -1.26 -4.83 135.00 130.49 3i1o n PRO 8 Ca -0.20 0.16 -0.38 0.00 -2.02 0.00 0.00 63.50 61.06 3i1o n PRO 8 Cb 0.32 -1.72 0.04 0.00 -0.02 0.00 0.00 33.50 32.11 3i1o n PRO 8 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3i1o n PHE 9 N 3.69 -0.78 -3.89 6.00 -0.00 -1.26 -5.02 117.46 116.19 3i1o n PHE 9 Ca 0.26 0.43 -0.09 0.00 -0.00 0.00 0.00 57.45 58.04 3i1o n PHE 9 Cb 0.05 -1.94 -0.07 0.00 -0.00 0.00 0.00 39.48 37.52 3i1o n PHE 9 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 3i1o s ILE 10 N -1.75 0.10 0.23 -2.13 1.09 -1.26 -4.86 121.20 112.62 3i1o s ILE 10 Ca 0.68 -1.24 0.07 0.00 -1.10 0.00 0.00 60.65 59.06 3i1o s ILE 10 Cb -0.43 -1.57 -0.04 0.00 -1.06 0.00 0.00 42.46 39.36 3i1o s ILE 10 CO 0.55 -0.46 0.17 -1.81 -0.10 0.00 0.00 174.94 173.29 3i1o s ASP 11 N -2.91 5.47 -0.02 3.58 1.11 -1.26 -5.05 116.67 117.59 3i1o s ASP 11 Ca 0.11 -0.24 -0.20 0.00 0.18 0.00 0.00 52.55 52.39 3i1o s ASP 11 Cb 0.04 -1.38 -0.28 0.00 1.07 0.00 0.00 42.92 42.37 3i1o s ASP 11 CO -0.06 -0.01 1.00 0.25 1.18 0.00 0.00 175.17 177.54 3i1o h LEU 12 N 1.76 0.54 -1.78 1.23 7.12 -2.02 -3.30 115.31 118.85 3i1o h LEU 12 Ca -0.48 -0.86 -0.01 0.00 0.13 0.00 0.00 57.88 56.66 3i1o h LEU 12 Cb 1.23 -0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 41.19 3i1o h LEU 12 CO 0.61 1.34 -0.06 1.12 -0.13 0.00 0.00 178.44 181.33 3i1o h HIS 13 N -0.19 0.00 0.00 1.25 2.07 -1.97 -1.48 115.15 114.83 3i1o h HIS 13 Ca -0.12 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.29 3i1o h HIS 13 Cb 1.53 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.50 3i1o h HIS 13 CO 0.17 0.06 -0.53 1.37 -3.07 0.00 0.00 177.93 175.92 3i1o h LEU 14 N 0.00 0.00 -1.53 6.12 8.10 -2.00 -2.82 115.31 123.18 3i1o h LEU 14 Ca -0.00 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.96 3i1o h LEU 14 Cb 0.42 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.63 3i1o h LEU 14 CO 0.01 0.53 0.00 0.25 -4.11 0.00 0.00 178.44 175.12 3i1o h LEU 15 N 0.00 0.27 -2.84 0.17 6.46 -1.34 -0.70 115.31 117.33 3i1o h LEU 15 Ca -0.01 -0.03 -0.22 0.00 -0.12 0.00 0.00 57.88 57.51 3i1o h LEU 15 Cb 1.25 -0.07 -0.13 0.00 -0.73 0.00 0.00 40.66 40.99 3i1o h LEU 15 CO 0.07 0.32 0.27 0.29 -0.62 0.00 0.00 178.44 178.77 3i1o n LYS 16 N -4.37 1.64 0.00 1.25 5.02 -1.06 -2.63 118.16 118.00 3i1o n LYS 16 Ca 0.00 -1.34 0.00 0.00 -2.02 0.00 0.00 58.31 54.95 3i1o n LYS 16 Cb 0.18 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 3i1o n LYS 16 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i1o n LYS 17 N -0.20 0.00 -0.00 1.97 4.76 -0.33 -4.69 118.16 119.67 3i1o n LYS 17 Ca 0.26 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.64 3i1o n LYS 17 Cb 1.00 -0.61 -0.12 0.00 -1.84 0.00 0.00 35.03 33.46 3i1o n LYS 17 CO 0.00 0.00 0.00 -0.24 -1.37 0.00 0.00 177.40 175.79 3i1o h VAL 18 N 0.00 0.79 -0.17 -0.18 3.04 -1.50 -3.23 116.25 115.00 3i1o h VAL 18 Ca 0.00 -2.54 0.00 0.00 -1.01 0.00 0.00 66.70 63.15 3i1o h VAL 18 Cb 0.36 2.33 0.00 0.00 -2.01 0.00 0.00 31.29 31.97 3i1o h VAL 18 CO 0.00 0.45 0.00 -0.62 -1.01 0.00 0.00 177.57 176.39 3i1o n GLU 19 N -3.02 1.40 -0.04 4.17 -0.58 -1.08 -2.60 120.64 118.88 3i1o n GLU 19 Ca -0.14 -0.62 0.02 0.00 -0.42 0.00 0.00 57.16 56.00 3i1o n GLU 19 Cb 0.99 -1.14 -0.15 0.00 -0.57 0.00 0.00 31.44 30.57 3i1o n GLU 19 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3i1o n LYS 20 N -0.01 0.80 0.00 3.49 0.00 -1.22 -4.23 118.16 116.99 3i1o n LYS 20 Ca 0.06 -0.10 0.14 0.00 0.00 0.00 0.00 58.31 58.41 3i1o n LYS 20 Cb 0.15 -1.46 0.77 0.00 0.00 0.00 0.00 35.03 34.49 3i1o n LYS 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i1o n ALA 21 N -2.38 2.47 -0.35 3.14 0.00 -1.07 -3.67 120.51 118.64 3i1o n ALA 21 Ca -0.15 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3i1o n ALA 21 Cb 0.75 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.73 3i1o n ALA 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i1o n VAL 22 N -1.23 0.00 -1.55 0.00 0.31 -1.24 -3.86 118.33 110.76 3i1o n VAL 22 Ca 0.16 0.76 -0.34 0.00 -0.01 0.00 0.00 64.34 64.91 3i1o n VAL 22 Cb 0.21 -1.56 0.04 0.00 -0.91 0.00 0.00 33.84 31.61 3i1o n VAL 22 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i1o n GLU 23 N -1.47 2.58 0.10 5.55 4.71 -1.26 -4.44 120.64 126.41 3i1o n GLU 23 Ca 0.00 -3.07 0.00 0.00 -0.01 0.00 0.00 57.16 54.08 3i1o n GLU 23 Cb 0.00 -2.19 0.00 0.00 -1.01 0.00 0.00 31.44 28.24 3i1o n GLU 23 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3i1o n SER 24 N -0.36 0.14 0.00 1.62 2.88 -1.24 -5.11 113.62 111.55 3i1o n SER 24 Ca 0.54 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 3i1o n SER 24 Cb 0.46 0.17 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 3i1o n SER 24 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i1o n GLY 25 N 2.07 0.62 3.72 0.46 0.00 -1.25 -5.07 105.19 105.74 3i1o n GLY 25 Ca 0.00 -2.16 -0.35 0.00 0.00 0.00 0.00 46.02 43.51 3i1o n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i1o s ASP 26 N -4.00 4.28 0.00 1.61 -1.08 -1.26 -4.87 116.67 111.35 3i1o s ASP 26 Ca 0.00 2.38 0.00 0.00 -0.52 0.00 0.00 52.55 54.41 3i1o s ASP 26 Cb 0.00 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.87 3i1o s ASP 26 CO 0.00 -2.21 0.00 0.29 0.52 0.00 0.00 175.17 173.77 3i1o n LYS 27 N -2.59 0.00 -4.20 4.34 5.02 -1.26 -5.19 118.16 114.29 3i1o n LYS 27 Ca 0.14 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.31 3i1o n LYS 27 Cb 0.50 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.41 3i1o n LYS 27 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3i1o s LYS 28 N 1.85 0.91 -0.34 1.97 -0.14 -1.26 -5.02 119.74 117.71 3i1o s LYS 28 Ca 0.00 -1.37 -0.30 0.00 -1.36 0.00 0.00 55.97 52.94 3i1o s LYS 28 Cb 0.00 -0.35 -0.13 0.00 -1.68 0.00 0.00 37.83 35.67 3i1o s LYS 28 CO 0.00 0.02 1.35 -2.30 -0.76 0.00 0.00 175.35 173.65 3i1o n PRO 29 N -0.07 0.00 -2.80 -1.68 -0.02 -1.26 -4.84 135.00 124.32 3i1o n PRO 29 Ca -0.12 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.94 3i1o n PRO 29 Cb 0.61 -1.01 -0.03 0.00 -0.02 0.00 0.00 33.50 33.04 3i1o n PRO 29 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i1o s LEU 30 N 3.52 4.24 0.16 2.45 1.02 -0.46 -4.73 118.68 124.88 3i1o s LEU 30 Ca 0.78 -1.10 -0.33 0.00 0.02 0.00 0.00 54.13 53.50 3i1o s LEU 30 Cb -1.01 -2.45 -0.13 0.00 0.02 0.00 0.00 46.19 42.63 3i1o s LEU 30 CO 0.47 -1.45 1.69 -2.11 0.02 0.00 0.00 176.35 174.97 3i1o n ARG 31 N 7.87 2.51 -3.67 1.70 1.85 -1.26 -1.66 116.66 124.00 3i1o n ARG 31 Ca 0.04 0.91 -0.15 0.00 -1.00 0.00 0.00 57.85 57.65 3i1o n ARG 31 Cb 0.47 -2.73 -0.14 0.00 -1.05 0.00 0.00 32.46 29.01 3i1o n ARG 31 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 3i1o s THR 32 N 1.43 -0.33 -1.63 8.89 -1.32 0.32 -4.91 115.64 118.09 3i1o s THR 32 Ca 0.78 0.31 0.29 0.00 -1.21 0.00 0.00 61.69 61.87 3i1o s THR 32 Cb -0.58 -0.37 0.50 0.00 -1.51 0.00 0.00 72.50 70.54 3i1o s THR 32 CO 0.36 0.13 1.93 0.79 -2.21 0.00 0.00 174.62 175.62 3i1o n TRP 33 N 5.31 0.00 -1.19 9.09 8.01 -1.26 -2.45 117.44 134.95 3i1o n TRP 33 Ca -0.06 0.00 -0.20 0.00 -1.31 0.00 0.00 57.50 55.93 3i1o n TRP 33 Cb 0.50 -0.19 -0.06 0.00 -2.01 0.00 0.00 31.31 29.55 3i1o n TRP 33 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 3i1o n SER 34 N -1.02 6.14 -3.78 -0.99 7.64 -1.26 -4.80 113.62 115.55 3i1o n SER 34 Ca 0.15 -2.97 -0.42 0.00 1.01 0.00 0.00 58.87 56.64 3i1o n SER 34 Cb 0.26 -1.23 -0.03 0.00 -1.01 0.00 0.00 64.21 62.20 3i1o n SER 34 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3i1o n ARG 35 N 1.14 2.20 0.00 1.43 1.85 -1.26 -3.61 116.66 118.42 3i1o n ARG 35 Ca 0.40 -2.30 0.00 0.00 -1.00 0.00 0.00 57.85 54.96 3i1o n ARG 35 Cb 0.63 -3.16 0.00 0.00 -1.05 0.00 0.00 32.46 28.88 3i1o n ARG 35 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3i1o n ARG 36 N 6.76 0.00 -4.00 2.89 0.63 -1.26 -1.61 116.66 120.06 3i1o n ARG 36 Ca 0.50 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 57.07 3i1o n ARG 36 Cb 0.40 -0.17 -0.07 0.00 0.45 0.00 0.00 32.46 33.08 3i1o n ARG 36 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3i1o s SER 37 N 0.00 6.10 1.32 6.15 0.15 -1.24 -4.65 113.70 121.53 3i1o s SER 37 Ca 0.00 0.38 -0.18 0.00 0.70 0.00 0.00 55.95 56.85 3i1o s SER 37 Cb 0.00 -1.91 0.34 0.00 -1.71 0.00 0.00 66.02 62.73 3i1o s SER 37 CO 0.00 0.39 0.94 1.07 1.20 0.00 0.00 173.24 176.84 3i1o n THR 38 N 1.95 0.00 -2.94 6.45 5.66 -1.26 -0.27 114.28 123.86 3i1o n THR 38 Ca -0.19 -0.29 -0.25 0.00 -3.05 0.00 0.00 64.05 60.26 3i1o n THR 38 Cb 0.55 -0.99 -0.04 0.00 -1.55 0.00 0.00 70.33 68.30 3i1o n THR 38 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 3i1o n ILE 39 N -5.40 2.54 -0.79 1.09 -5.35 -0.53 -4.68 119.36 106.25 3i1o n ILE 39 Ca 0.07 -5.37 -0.30 0.00 -0.27 0.00 0.00 62.75 56.87 3i1o n ILE 39 Cb 0.57 -1.20 0.27 0.00 -1.74 0.00 0.00 39.64 37.53 3i1o n ILE 39 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3i1o s PHE 40 N -3.33 -0.15 0.16 4.28 0.40 -1.13 -4.21 117.98 114.00 3i1o s PHE 40 Ca 0.47 0.47 -0.29 0.00 -0.60 0.00 0.00 56.93 56.99 3i1o s PHE 40 Cb 0.30 -3.25 -0.03 0.00 0.51 0.00 0.00 43.02 40.56 3i1o s PHE 40 CO -0.13 -4.43 1.55 -1.00 0.70 0.00 0.00 175.22 171.91 3i1o h PRO 41 N -2.99 -0.20 -1.04 0.24 0.13 -1.90 0.24 132.00 126.47 3i1o h PRO 41 Ca -0.43 0.01 0.28 0.00 -0.87 0.00 0.00 66.00 65.00 3i1o h PRO 41 Cb 1.31 0.05 -0.06 0.00 0.13 0.00 0.00 31.00 32.42 3i1o h PRO 41 CO 0.29 -0.14 0.71 -0.91 -0.23 0.00 0.00 178.00 177.73 3i1o h ASN 42 N -0.21 0.21 -3.04 1.44 4.21 -1.99 -3.08 115.58 113.12 3i1o h ASN 42 Ca 0.15 0.04 -0.80 0.00 1.21 0.00 0.00 56.30 56.90 3i1o h ASN 42 Cb 0.54 0.00 -0.27 0.00 -1.12 0.00 0.00 38.32 37.47 3i1o h ASN 42 CO -0.74 0.05 0.76 0.23 -1.29 0.00 0.00 177.43 176.43 3i1o n MET 43 N -4.40 4.02 -3.85 0.81 2.81 0.85 -4.98 117.12 112.38 3i1o n MET 43 Ca 0.23 -4.42 -0.12 0.00 -1.81 0.00 0.00 57.70 51.58 3i1o n MET 43 Cb 0.99 -2.58 -0.13 0.00 -0.71 0.00 0.00 33.22 30.80 3i1o n MET 43 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 3i1o s ILE 44 N -1.82 0.02 0.00 2.02 2.07 -1.17 -4.28 121.20 118.04 3i1o s ILE 44 Ca 0.32 -0.13 0.00 0.00 -1.41 0.00 0.00 60.65 59.43 3i1o s ILE 44 Cb -0.01 -0.18 0.00 0.00 0.13 0.00 0.00 42.46 42.40 3i1o s ILE 44 CO 0.02 -0.07 0.00 0.61 -1.91 0.00 0.00 174.94 173.59 3i1o n GLY 45 N 2.77 1.83 0.00 1.50 0.00 0.27 -4.92 105.19 106.65 3i1o n GLY 45 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3i1o n GLY 45 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3i1o n LEU 46 N 0.00 0.00 -3.64 0.99 -0.00 -1.26 -4.51 117.00 108.58 3i1o n LEU 46 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.76 3i1o n LEU 46 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.25 3i1o n LEU 46 CO 0.00 0.00 -0.34 0.42 -0.00 0.00 0.00 177.39 177.47 3i1o s THR 47 N 0.00 -0.02 -0.46 1.47 -4.23 -1.26 -4.64 115.64 106.50 3i1o s THR 47 Ca 0.00 -0.04 0.03 0.00 -1.18 0.00 0.00 61.69 60.49 3i1o s THR 47 Cb 0.00 -0.51 0.13 0.00 1.34 0.00 0.00 72.50 73.46 3i1o s THR 47 CO 0.00 -0.14 0.24 -0.63 -0.54 0.00 0.00 174.62 173.55 3i1o s ILE 48 N 2.12 1.68 -0.60 2.99 1.01 -1.26 -1.36 121.20 125.78 3i1o s ILE 48 Ca 0.03 -2.73 -0.26 0.00 0.00 0.00 0.00 60.65 57.68 3i1o s ILE 48 Cb -0.15 -2.18 -0.06 0.00 0.01 0.00 0.00 42.46 40.08 3i1o s ILE 48 CO -0.07 -0.87 2.20 0.00 0.00 0.00 0.00 174.94 176.20 3i1o s ALA 49 N 0.20 1.67 0.09 9.38 0.00 -0.66 -3.92 121.76 128.53 3i1o s ALA 49 Ca 0.17 -0.42 -0.08 0.00 0.00 0.00 0.00 51.96 51.63 3i1o s ALA 49 Cb -0.25 -4.38 -0.06 0.00 0.00 0.00 0.00 23.12 18.43 3i1o s ALA 49 CO 0.00 -4.52 0.39 0.14 0.00 0.00 0.00 175.76 171.77 3i1o s VAL 50 N 11.44 5.12 0.75 0.00 -7.23 -0.05 -0.52 120.40 129.90 3i1o s VAL 50 Ca 0.85 0.34 -0.16 0.00 -1.81 0.00 0.00 61.98 61.20 3i1o s VAL 50 Cb -0.14 -3.63 -0.02 0.00 0.56 0.00 0.00 36.38 33.15 3i1o s VAL 50 CO 0.20 0.22 0.62 1.57 -0.31 0.00 0.00 175.10 177.40 3i1o n HIS 51 N 0.69 -0.52 -2.71 2.82 -0.00 -1.03 0.35 115.22 114.82 3i1o n HIS 51 Ca -0.07 0.35 -0.05 0.00 0.46 0.00 0.00 57.72 58.41 3i1o n HIS 51 Cb 0.52 -1.94 0.09 0.00 -0.12 0.00 0.00 29.99 28.54 3i1o n HIS 51 CO 0.00 0.00 0.00 0.27 0.46 0.00 0.00 176.34 177.07 3i1o n ASN 52 N -0.75 -0.33 0.00 0.26 2.04 -0.68 -4.60 115.26 111.20 3i1o n ASN 52 Ca 0.10 -2.38 0.00 0.00 -0.44 0.00 0.00 54.58 51.86 3i1o n ASN 52 Cb 0.50 0.28 0.00 0.00 -2.53 0.00 0.00 39.78 38.03 3i1o n ASN 52 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3i1o n GLY 53 N -0.70 2.74 0.00 4.83 0.00 -1.26 -4.58 105.19 106.22 3i1o n GLY 53 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3i1o n GLY 53 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i1o n ARG 54 N -1.97 0.00 0.00 1.61 0.00 -1.26 -5.14 116.66 109.90 3i1o n ARG 54 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3i1o n ARG 54 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 3i1o n ARG 54 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 3i1o n GLN 55 N 0.00 -0.55 -5.10 2.89 0.00 -1.26 -4.93 117.38 108.44 3i1o n GLN 55 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.00 56.68 3i1o n GLN 55 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 30.24 30.08 3i1o n GLN 55 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 3i1o s HIS 56 N -0.90 2.58 -0.20 3.69 3.76 -1.26 -1.69 115.29 121.27 3i1o s HIS 56 Ca 0.00 -0.69 0.01 0.00 -0.15 0.00 0.00 55.06 54.24 3i1o s HIS 56 Cb 0.00 -1.68 0.03 0.00 1.11 0.00 0.00 32.58 32.05 3i1o s HIS 56 CO 0.00 -0.20 -0.16 0.14 -0.85 0.00 0.00 174.74 173.67 3i1o s VAL 57 N -0.04 1.98 -0.82 -0.90 -7.23 0.15 -4.66 120.40 108.89 3i1o s VAL 57 Ca -0.06 -1.08 -0.05 0.00 -1.81 0.00 0.00 61.98 58.98 3i1o s VAL 57 Cb -0.15 -1.90 -0.05 0.00 0.56 0.00 0.00 36.38 34.85 3i1o s VAL 57 CO 0.05 0.35 2.05 -0.81 -0.31 0.00 0.00 175.10 176.42 3i1o n PRO 58 N 4.60 1.92 -1.67 4.82 -0.04 -1.26 -0.87 135.00 142.50 3i1o n PRO 58 Ca -0.18 -1.36 -0.46 0.00 -0.04 0.00 0.00 63.50 61.46 3i1o n PRO 58 Cb 0.48 -2.39 -0.04 0.00 -0.04 0.00 0.00 33.50 31.50 3i1o n PRO 58 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3i1o n VAL 59 N 4.18 0.09 -1.53 0.52 0.24 -1.25 -4.64 118.33 115.94 3i1o n VAL 59 Ca 0.41 -0.02 -0.34 0.00 -2.04 0.00 0.00 64.34 62.35 3i1o n VAL 59 Cb 0.14 -1.59 0.08 0.00 -1.47 0.00 0.00 33.84 31.00 3i1o n VAL 59 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3i1o s PHE 60 N 1.40 2.23 -0.03 6.34 5.36 -1.26 -4.53 117.98 127.50 3i1o s PHE 60 Ca 0.81 1.59 0.05 0.00 -0.96 0.00 0.00 56.93 58.41 3i1o s PHE 60 Cb -0.68 -3.36 -0.01 0.00 -0.34 0.00 0.00 43.02 38.63 3i1o s PHE 60 CO 0.40 -2.30 -0.16 0.08 -1.46 0.00 0.00 175.22 171.78 3i1o s VAL 61 N -2.12 1.34 0.43 3.12 1.01 -1.26 -4.94 120.40 117.98 3i1o s VAL 61 Ca 0.72 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 62.03 3i1o s VAL 61 Cb -0.26 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 3i1o s VAL 61 CO 0.44 0.38 0.06 -0.89 0.00 0.00 0.00 175.10 175.09 3i1o s THR 62 N -0.17 1.08 -0.56 3.92 2.01 -1.26 -0.57 115.64 120.09 3i1o s THR 62 Ca 0.01 -2.00 0.24 0.00 0.31 0.00 0.00 61.69 60.26 3i1o s THR 62 Cb -0.09 -2.45 0.32 0.00 0.01 0.00 0.00 72.50 70.29 3i1o s THR 62 CO 0.01 0.00 1.69 -0.78 -0.69 0.00 0.00 174.62 174.84 3i1o h ASP 63 N 1.69 0.00 0.30 3.53 -0.00 -1.96 -3.21 116.42 116.77 3i1o h ASP 63 Ca -0.40 0.00 -0.02 0.00 -0.00 0.00 0.00 57.03 56.61 3i1o h ASP 63 Cb 1.28 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 40.61 3i1o h ASP 63 CO 0.68 0.00 -0.07 -0.33 -0.00 0.00 0.00 179.24 179.52 3i1o h GLU 64 N 0.00 0.00 -5.14 0.28 5.08 -1.97 -3.39 114.58 109.43 3i1o h GLU 64 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 3i1o h GLU 64 Cb 0.88 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 29.84 3i1o h GLU 64 CO 0.00 0.07 -0.78 0.00 -1.00 0.00 0.00 179.01 177.30 3i1o s MET 65 N -4.23 3.27 0.00 2.33 0.23 -1.21 -5.05 119.30 114.64 3i1o s MET 65 Ca -0.03 -0.71 0.00 0.00 -1.03 0.00 0.00 55.69 53.92 3i1o s MET 65 Cb 0.13 -2.74 0.00 0.00 -1.53 0.00 0.00 34.83 30.70 3i1o s MET 65 CO 0.55 -0.04 0.00 0.28 -2.03 0.00 0.00 175.02 173.79 3i1o n VAL 66 N 4.24 0.00 0.06 5.16 0.31 -1.26 -4.69 118.33 122.15 3i1o n VAL 66 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3i1o n VAL 66 Cb 0.51 -0.31 0.00 0.00 -0.91 0.00 0.00 33.84 33.14 3i1o n VAL 66 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i1o n GLY 67 N 4.02 2.06 3.41 2.92 0.00 -1.26 -1.45 105.19 114.88 3i1o n GLY 67 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3i1o n GLY 67 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i1o s HIS 68 N 0.20 3.20 1.23 1.61 4.02 -1.26 -4.79 115.29 119.50 3i1o s HIS 68 Ca 0.00 -0.74 -0.18 0.00 1.02 0.00 0.00 55.06 55.16 3i1o s HIS 68 Cb 0.00 -2.37 0.26 0.00 -1.02 0.00 0.00 32.58 29.45 3i1o s HIS 68 CO 0.00 -0.53 0.60 1.63 1.02 0.00 0.00 174.74 177.46 3i1o n LYS 69 N 4.97 -2.96 0.14 1.40 4.76 -1.26 -2.29 118.16 122.92 3i1o n LYS 69 Ca -0.13 -0.86 0.01 0.00 -2.87 0.00 0.00 58.31 54.45 3i1o n LYS 69 Cb 0.48 -1.86 0.18 0.00 -1.84 0.00 0.00 35.03 31.99 3i1o n LYS 69 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3i1o h LEU 70 N -2.83 0.00 -0.08 -0.35 3.38 -0.85 -2.32 115.31 112.26 3i1o h LEU 70 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3i1o h LEU 70 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3i1o h LEU 70 CO 0.34 0.58 0.00 0.61 0.09 0.00 0.00 178.44 180.06 3i1o n GLY 71 N 0.44 -1.31 0.00 0.83 0.00 -0.63 -2.79 105.19 101.72 3i1o n GLY 71 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3i1o n GLY 71 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i1o n GLU 72 N -1.68 0.00 -0.17 1.61 0.00 -0.87 -3.29 120.64 116.24 3i1o n GLU 72 Ca 0.05 0.22 0.17 0.00 0.00 0.00 0.00 57.16 57.60 3i1o n GLU 72 Cb 0.28 -1.18 0.53 0.00 0.00 0.00 0.00 31.44 31.07 3i1o n GLU 72 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.13 177.87 3i1o h PHE 73 N 0.00 0.44 -2.09 4.31 -1.00 -1.69 -3.43 116.94 113.48 3i1o h PHE 73 Ca 0.00 0.01 -0.60 0.00 2.81 0.00 0.00 57.97 60.19 3i1o h PHE 73 Cb 0.00 -0.14 0.02 0.00 3.61 0.00 0.00 35.95 39.44 3i1o h PHE 73 CO 0.09 0.16 1.12 0.00 -1.61 0.00 0.00 178.31 178.07 3i1o n ALA 74 N -2.54 1.02 -1.75 2.45 0.00 -1.12 -4.85 120.51 113.72 3i1o n ALA 74 Ca 0.15 0.28 -0.18 0.00 0.00 0.00 0.00 53.44 53.68 3i1o n ALA 74 Cb 0.59 -2.53 -0.06 0.00 0.00 0.00 0.00 19.45 17.45 3i1o n ALA 74 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3i1o s PRO 75 N 4.05 1.94 0.18 0.00 0.02 -1.26 -4.79 135.00 135.15 3i1o s PRO 75 Ca 0.92 0.19 -0.05 0.00 0.02 0.00 0.00 61.00 62.08 3i1o s PRO 75 Cb -0.65 -4.89 0.08 0.00 0.02 0.00 0.00 34.50 29.06 3i1o s PRO 75 CO 0.50 -4.08 1.49 1.79 -0.33 0.00 0.00 177.00 176.37 3i1o h THR 76 N 7.52 1.31 -3.00 0.99 1.35 -1.86 -3.38 112.91 115.85 3i1o h THR 76 Ca 0.04 -1.77 -0.22 0.00 -0.55 0.00 0.00 66.41 63.90 3i1o h THR 76 Cb 1.00 1.73 -0.32 0.00 -1.73 0.00 0.00 68.15 68.83 3i1o h THR 76 CO 1.08 0.56 -0.54 0.00 -0.25 0.00 0.00 175.52 176.37 3i1o s ARG 77 N -4.04 0.14 0.54 4.72 1.70 -1.26 -4.07 118.95 116.67 3i1o s ARG 77 Ca -0.08 0.60 0.04 0.00 -0.47 0.00 0.00 55.73 55.82 3i1o s ARG 77 Cb 0.11 -0.12 0.03 0.00 -0.57 0.00 0.00 34.95 34.40 3i1o s ARG 77 CO 0.85 -0.23 0.29 0.95 -1.08 0.00 0.00 175.30 176.08 3i1o s THR 78 N 1.86 1.50 0.00 4.99 -4.23 -1.26 -5.14 115.64 113.37 3i1o s THR 78 Ca -0.03 -1.63 0.00 0.00 -1.18 0.00 0.00 61.69 58.85 3i1o s THR 78 Cb -0.11 -2.14 0.00 0.00 1.34 0.00 0.00 72.50 71.59 3i1o s THR 78 CO -0.08 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.00 3i1o n TYR 79 N -1.63 0.00 -0.86 3.99 -0.00 -1.26 -5.26 117.16 112.14 3i1o n TYR 79 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.83 3i1o n TYR 79 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.99 3i1o n TYR 79 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40