#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1m n SER 3 N 0.00 0.00 0.11 2.89 7.64 -1.26 -5.02 113.62 117.97 3i1m n SER 3 Ca 0.00 0.00 0.18 0.00 1.01 0.00 0.00 58.87 60.06 3i1m n SER 3 Cb 0.00 0.00 0.56 0.00 -1.01 0.00 0.00 64.21 63.76 3i1m n SER 3 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3i1m h LEU 4 N 0.00 0.00 0.00 -3.43 4.07 -2.01 -3.45 115.31 110.49 3i1m h LEU 4 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3i1m h LEU 4 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 3i1m h LEU 4 CO 0.00 0.00 0.00 0.29 -1.08 0.00 0.00 178.44 177.65 3i1m n LYS 5 N -3.20 0.00 -3.32 1.13 5.02 -1.26 -4.36 118.16 112.17 3i1m n LYS 5 Ca 0.08 0.00 -0.45 0.00 -2.02 0.00 0.00 58.31 55.92 3i1m n LYS 5 Cb 0.87 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.87 3i1m n LYS 5 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3i1m s LYS 6 N 0.00 4.06 0.00 1.97 -0.14 -1.26 -4.86 119.74 119.51 3i1m s LYS 6 Ca 0.00 -3.02 0.00 0.00 -1.36 0.00 0.00 55.97 51.59 3i1m s LYS 6 Cb 0.00 -4.55 0.00 0.00 -1.68 0.00 0.00 37.83 31.60 3i1m s LYS 6 CO 0.00 -1.27 0.00 0.41 -0.76 0.00 0.00 175.35 173.73 3i1m n GLY 7 N 3.06 1.16 3.48 -3.33 0.00 -1.26 -5.07 105.19 103.23 3i1m n GLY 7 Ca 0.22 -1.17 -0.28 0.00 0.00 0.00 0.00 46.02 44.79 3i1m n GLY 7 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i1m s PRO 8 N -2.73 -1.16 -0.04 1.61 0.02 -1.26 -4.86 135.00 126.57 3i1m s PRO 8 Ca 0.00 0.64 0.02 0.00 0.02 0.00 0.00 61.00 61.69 3i1m s PRO 8 Cb 0.00 -1.54 0.01 0.00 0.02 0.00 0.00 34.50 32.99 3i1m s PRO 8 CO 0.00 -3.83 -0.10 0.12 -0.33 0.00 0.00 177.00 172.86 3i1m s PHE 9 N -2.51 1.14 -0.01 6.54 2.19 -1.26 -5.06 117.98 119.01 3i1m s PHE 9 Ca 0.68 -0.34 -0.10 0.00 0.33 0.00 0.00 56.93 57.50 3i1m s PHE 9 Cb -0.22 -0.84 0.01 0.00 -1.31 0.00 0.00 43.02 40.66 3i1m s PHE 9 CO 0.63 -0.17 0.21 0.96 1.83 0.00 0.00 175.22 178.67 3i1m s ILE 10 N 0.44 0.06 0.73 3.12 -4.36 -1.26 -1.11 121.20 118.82 3i1m s ILE 10 Ca -0.08 -0.53 -0.15 0.00 -0.26 0.00 0.00 60.65 59.63 3i1m s ILE 10 Cb -0.12 -0.48 0.04 0.00 1.25 0.00 0.00 42.46 43.15 3i1m s ILE 10 CO 0.02 -0.29 1.21 -1.81 0.24 0.00 0.00 174.94 174.30 3i1m s ASP 11 N -1.18 4.17 -0.03 4.36 -0.00 -1.26 -4.94 116.67 117.79 3i1m s ASP 11 Ca -0.13 2.35 -0.20 0.00 -0.00 0.00 0.00 52.55 54.58 3i1m s ASP 11 Cb -0.06 -2.59 -0.13 0.00 -0.00 0.00 0.00 42.92 40.14 3i1m s ASP 11 CO 0.02 -2.28 0.86 -0.07 -0.00 0.00 0.00 175.17 173.71 3i1m h LEU 12 N -0.33 -0.32 -1.14 1.23 3.38 -2.01 -2.68 115.31 113.44 3i1m h LEU 12 Ca -0.48 -0.20 0.24 0.00 0.09 0.00 0.00 57.88 57.54 3i1m h LEU 12 Cb 1.30 0.08 -0.11 0.00 0.09 0.00 0.00 40.66 42.02 3i1m h LEU 12 CO 0.50 0.16 0.62 1.12 0.09 0.00 0.00 178.44 180.93 3i1m h HIS 13 N -0.95 0.89 -0.05 1.13 2.07 -2.00 0.38 115.15 116.64 3i1m h HIS 13 Ca -0.04 0.03 -0.17 0.00 -2.85 0.00 0.00 60.37 57.34 3i1m h HIS 13 Cb 0.49 -0.26 -0.01 0.00 2.57 0.00 0.00 27.41 30.20 3i1m h HIS 13 CO 0.05 0.11 -0.73 1.25 -3.07 0.00 0.00 177.93 175.54 3i1m h LEU 14 N 0.56 0.32 -0.77 6.12 5.85 -1.97 -2.32 115.31 123.10 3i1m h LEU 14 Ca 0.60 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 59.06 3i1m h LEU 14 Cb 1.23 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 3i1m h LEU 14 CO -0.38 0.94 0.30 0.25 -0.34 0.00 0.00 178.44 179.20 3i1m h LEU 15 N 0.18 1.08 -0.17 2.25 5.85 0.02 -1.37 115.31 123.14 3i1m h LEU 15 Ca -0.03 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 3i1m h LEU 15 Cb 1.29 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 3i1m h LEU 15 CO 0.12 0.96 0.10 0.11 -0.34 0.00 0.00 178.44 179.39 3i1m h LYS 16 N 1.13 0.24 -0.04 1.25 1.57 -0.91 -0.14 116.57 119.67 3i1m h LYS 16 Ca 0.26 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.02 3i1m h LYS 16 Cb 0.23 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 3i1m h LYS 16 CO -0.02 0.22 0.20 0.87 -0.57 0.00 0.00 179.45 180.15 3i1m h LYS 17 N 0.19 0.00 0.00 3.15 1.57 -1.15 0.19 116.57 120.52 3i1m h LYS 17 Ca 0.06 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.56 3i1m h LYS 17 Cb 0.05 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 3i1m h LYS 17 CO -0.01 0.00 -1.63 0.28 -0.57 0.00 0.00 179.45 177.52 3i1m h VAL 18 N 0.00 0.94 0.14 0.50 2.07 0.02 -3.24 116.25 116.68 3i1m h VAL 18 Ca 0.02 -2.78 -0.30 0.00 0.82 0.00 0.00 66.70 64.46 3i1m h VAL 18 Cb 0.41 2.47 -0.00 0.00 -1.52 0.00 0.00 31.29 32.65 3i1m h VAL 18 CO -0.00 0.54 -1.53 -0.33 0.02 0.00 0.00 177.57 176.28 3i1m h GLU 19 N 0.00 0.29 -0.36 1.57 4.39 -0.05 -3.38 114.58 117.04 3i1m h GLU 19 Ca -0.25 -0.49 0.02 0.00 0.34 0.00 0.00 59.36 58.98 3i1m h GLU 19 Cb 1.99 0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 30.79 3i1m h GLU 19 CO 0.09 1.23 0.18 -0.22 -1.16 0.00 0.00 179.01 179.13 3i1m h LYS 20 N -0.18 0.36 -4.84 2.33 3.64 -0.86 -3.14 116.57 113.88 3i1m h LYS 20 Ca -0.32 -0.02 -0.63 0.00 -1.27 0.00 0.00 60.65 58.41 3i1m h LYS 20 Cb 1.86 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 33.57 3i1m h LYS 20 CO 0.09 0.24 2.36 0.00 -2.27 0.00 0.00 179.45 179.87 3i1m n ALA 21 N -2.26 3.89 0.02 5.00 0.00 -1.22 -2.94 120.51 123.00 3i1m n ALA 21 Ca 0.01 -3.60 0.00 0.00 0.00 0.00 0.00 53.44 49.85 3i1m n ALA 21 Cb 0.08 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 15.96 3i1m n ALA 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i1m n VAL 22 N 6.09 0.00 1.01 0.00 0.31 -1.19 -4.68 118.33 119.87 3i1m n VAL 22 Ca 0.50 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.93 3i1m n VAL 22 Cb 0.42 0.00 0.53 0.00 -0.91 0.00 0.00 33.84 33.88 3i1m n VAL 22 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3i1m n GLU 23 N -2.49 0.32 -0.12 5.55 4.07 -1.24 -2.05 120.64 124.68 3i1m n GLU 23 Ca 0.00 0.08 0.10 0.00 -0.06 0.00 0.00 57.16 57.28 3i1m n GLU 23 Cb 0.00 -1.50 0.15 0.00 -0.06 0.00 0.00 31.44 30.03 3i1m n GLU 23 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 3i1m n SER 24 N -1.26 2.55 -1.49 4.31 7.64 -1.15 -5.11 113.62 119.11 3i1m n SER 24 Ca 0.10 -3.04 0.17 0.00 1.01 0.00 0.00 58.87 57.11 3i1m n SER 24 Cb 0.16 -0.43 -0.09 0.00 -1.01 0.00 0.00 64.21 62.83 3i1m n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i1m n GLY 25 N -1.28 -3.45 0.00 0.23 0.00 -0.87 -4.94 105.19 94.89 3i1m n GLY 25 Ca 0.16 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.17 3i1m n GLY 25 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i1m n ASP 26 N -4.32 0.00 0.00 1.61 5.75 -1.26 -4.15 116.55 114.19 3i1m n ASP 26 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.69 3i1m n ASP 26 Cb 0.69 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.78 3i1m n ASP 26 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 3i1m n LYS 27 N 0.00 0.00 -2.23 0.11 2.85 -1.26 -5.02 118.16 112.61 3i1m n LYS 27 Ca 0.00 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 56.99 3i1m n LYS 27 Cb 0.00 0.00 0.15 0.00 -0.65 0.00 0.00 35.03 34.53 3i1m n LYS 27 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 3i1m s LYS 28 N 4.75 1.16 -0.30 -1.58 1.02 -1.26 -4.96 119.74 118.57 3i1m s LYS 28 Ca 0.00 -0.71 -0.35 0.00 0.02 0.00 0.00 55.97 54.93 3i1m s LYS 28 Cb 0.00 -2.07 -0.11 0.00 -0.52 0.00 0.00 37.83 35.13 3i1m s LYS 28 CO 0.00 -1.94 2.12 -0.35 -0.92 0.00 0.00 175.35 174.25 3i1m n PRO 29 N -3.32 1.29 -1.06 -1.68 -0.04 -1.26 -4.85 135.00 124.07 3i1m n PRO 29 Ca 0.15 0.38 -0.34 0.00 -0.04 0.00 0.00 63.50 63.65 3i1m n PRO 29 Cb 0.60 -2.52 0.12 0.00 -0.04 0.00 0.00 33.50 31.67 3i1m n PRO 29 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3i1m n LEU 30 N 9.24 3.30 -3.94 1.53 4.32 -1.26 -4.74 117.00 125.45 3i1m n LEU 30 Ca 0.37 0.54 -0.30 0.00 -0.02 0.00 0.00 56.01 56.60 3i1m n LEU 30 Cb 0.25 -1.43 -0.16 0.00 -1.62 0.00 0.00 43.42 40.46 3i1m n LEU 30 CO 0.75 -2.15 -0.42 -0.13 -1.22 0.00 0.00 177.39 174.22 3i1m s ARG 31 N -3.91 1.64 0.20 3.23 0.52 -1.26 -0.11 118.95 119.26 3i1m s ARG 31 Ca 0.70 -1.02 0.07 0.00 -0.52 0.00 0.00 55.73 54.96 3i1m s ARG 31 Cb -0.29 -2.61 -0.05 0.00 0.52 0.00 0.00 34.95 32.53 3i1m s ARG 31 CO 0.54 -0.61 -0.13 0.95 0.02 0.00 0.00 175.30 176.08 3i1m s THR 32 N 1.38 1.61 -2.23 0.02 -4.23 -0.96 -4.99 115.64 106.24 3i1m s THR 32 Ca -0.06 -2.17 0.19 0.00 -1.18 0.00 0.00 61.69 58.47 3i1m s THR 32 Cb -0.19 -2.04 0.22 0.00 1.34 0.00 0.00 72.50 71.83 3i1m s THR 32 CO -0.06 -0.60 1.17 0.79 -0.54 0.00 0.00 174.62 175.38 3i1m n TRP 33 N -0.36 0.16 -0.93 3.99 8.01 -1.26 -2.27 117.44 124.77 3i1m n TRP 33 Ca -0.08 -0.10 -0.29 0.00 -1.31 0.00 0.00 57.50 55.72 3i1m n TRP 33 Cb 0.61 -0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 29.88 3i1m n TRP 33 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 3i1m n SER 34 N 1.11 5.04 0.00 -0.99 2.88 -1.26 -4.51 113.62 115.89 3i1m n SER 34 Ca 0.13 -2.44 0.02 0.00 -1.33 0.00 0.00 58.87 55.25 3i1m n SER 34 Cb 0.49 -1.19 0.11 0.00 -0.75 0.00 0.00 64.21 62.87 3i1m n SER 34 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3i1m n ARG 35 N 4.64 0.04 0.00 -1.46 1.74 -1.26 -2.52 116.66 117.84 3i1m n ARG 35 Ca 0.50 0.32 0.13 0.00 -0.77 0.00 0.00 57.85 58.03 3i1m n ARG 35 Cb 0.20 -1.50 0.26 0.00 -1.02 0.00 0.00 32.46 30.40 3i1m n ARG 35 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i1m n ARG 36 N -1.38 1.97 -3.23 5.56 1.74 -1.26 -1.53 116.66 118.53 3i1m n ARG 36 Ca 0.02 -1.47 -0.39 0.00 -0.77 0.00 0.00 57.85 55.24 3i1m n ARG 36 Cb 0.04 -1.47 -0.06 0.00 -1.02 0.00 0.00 32.46 29.96 3i1m n ARG 36 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3i1m s SER 37 N -2.04 6.84 -0.35 0.55 0.01 -1.05 -4.73 113.70 112.93 3i1m s SER 37 Ca 0.31 1.01 -0.29 0.00 1.31 0.00 0.00 55.95 58.29 3i1m s SER 37 Cb 0.20 -2.34 0.01 0.00 0.21 0.00 0.00 66.02 64.11 3i1m s SER 37 CO 0.34 0.02 1.17 -0.89 0.41 0.00 0.00 173.24 174.29 3i1m s THR 38 N 0.35 4.31 0.19 1.44 2.01 -0.27 -2.42 115.64 121.24 3i1m s THR 38 Ca 0.30 1.47 -0.33 0.00 0.31 0.00 0.00 61.69 63.44 3i1m s THR 38 Cb -0.17 -4.36 -0.14 0.00 0.01 0.00 0.00 72.50 67.84 3i1m s THR 38 CO 0.14 -0.59 1.45 -0.38 -0.69 0.00 0.00 174.62 174.55 3i1m n ILE 39 N 6.21 0.48 -3.63 1.82 5.41 -0.35 -4.84 119.36 124.46 3i1m n ILE 39 Ca 0.13 -0.12 -0.26 0.00 1.00 0.00 0.00 62.75 63.50 3i1m n ILE 39 Cb 0.47 -1.39 -0.03 0.00 -0.71 0.00 0.00 39.64 37.99 3i1m n ILE 39 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 3i1m s PHE 40 N 0.36 3.48 0.29 1.39 0.40 -1.26 -4.39 117.98 118.25 3i1m s PHE 40 Ca 0.74 0.33 0.02 0.00 -0.60 0.00 0.00 56.93 57.42 3i1m s PHE 40 Cb -0.70 -1.85 0.58 0.00 0.51 0.00 0.00 43.02 41.56 3i1m s PHE 40 CO 0.45 0.32 1.85 -1.35 0.70 0.00 0.00 175.22 177.19 3i1m h PRO 41 N 1.63 0.94 0.00 0.24 0.11 -1.94 -1.26 132.00 131.73 3i1m h PRO 41 Ca -0.49 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3i1m h PRO 41 Cb 1.20 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3i1m h PRO 41 CO 0.66 0.62 0.00 0.27 -0.21 0.00 0.00 178.00 179.34 3i1m n ASN 42 N -4.59 0.00 -0.06 -2.05 2.04 -1.26 -0.31 115.26 109.04 3i1m n ASN 42 Ca 0.18 -0.05 -0.03 0.00 -0.44 0.00 0.00 54.58 54.23 3i1m n ASN 42 Cb 0.34 0.00 -0.15 0.00 -2.53 0.00 0.00 39.78 37.44 3i1m n ASN 42 CO 0.00 0.00 0.00 0.23 -0.44 0.00 0.00 177.26 177.05 3i1m n MET 43 N -0.93 0.67 -1.56 -3.83 2.81 -0.47 -4.95 117.12 108.85 3i1m n MET 43 Ca 0.01 -0.03 -0.54 0.00 -1.81 0.00 0.00 57.70 55.34 3i1m n MET 43 Cb 0.00 -1.56 -0.06 0.00 -0.71 0.00 0.00 33.22 30.90 3i1m n MET 43 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 3i1m n ILE 44 N -2.64 0.17 -0.94 2.02 5.41 0.58 -2.66 119.36 121.30 3i1m n ILE 44 Ca -0.22 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.48 3i1m n ILE 44 Cb 0.97 -0.55 0.00 0.00 -0.71 0.00 0.00 39.64 39.34 3i1m n ILE 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i1m n GLY 45 N 2.14 1.02 0.00 7.39 0.00 -0.88 -5.02 105.19 109.84 3i1m n GLY 45 Ca 0.18 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3i1m n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i1m n LEU 46 N 0.00 0.00 0.00 0.99 4.77 -1.09 -5.01 117.00 116.66 3i1m n LEU 46 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3i1m n LEU 46 Cb 0.20 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3i1m n LEU 46 CO 0.00 0.00 0.01 0.35 -1.33 0.00 0.00 177.39 176.42 3i1m n THR 47 N 0.00 0.00 0.00 -5.08 -2.24 -1.26 -4.21 114.28 101.49 3i1m n THR 47 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3i1m n THR 47 Cb 0.00 1.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 3i1m n THR 47 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3i1m n ILE 48 N 0.00 0.00 -3.72 2.28 -6.64 -1.24 -3.18 119.36 106.86 3i1m n ILE 48 Ca 0.00 0.00 -0.38 0.00 -1.77 0.00 0.00 62.75 60.60 3i1m n ILE 48 Cb 0.26 0.00 -0.12 0.00 -1.44 0.00 0.00 39.64 38.34 3i1m n ILE 48 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3i1m s ALA 49 N 0.00 3.14 -0.18 -1.28 0.00 0.85 -2.43 121.76 121.85 3i1m s ALA 49 Ca 0.00 -1.49 -0.15 0.00 0.00 0.00 0.00 51.96 50.32 3i1m s ALA 49 Cb 0.00 -2.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.82 3i1m s ALA 49 CO 0.00 -1.00 0.36 0.08 0.00 0.00 0.00 175.76 175.21 3i1m s VAL 50 N 1.53 5.24 0.33 0.00 1.01 -0.29 -2.26 120.40 125.95 3i1m s VAL 50 Ca 0.03 0.66 -0.29 0.00 0.00 0.00 0.00 61.98 62.37 3i1m s VAL 50 Cb -0.18 -3.70 -0.12 0.00 0.00 0.00 0.00 36.38 32.39 3i1m s VAL 50 CO 0.04 0.31 1.44 1.57 0.00 0.00 0.00 175.10 178.45 3i1m n HIS 51 N 4.11 2.62 -0.00 5.22 -0.00 -0.96 -0.53 115.22 125.68 3i1m n HIS 51 Ca -0.10 0.43 0.00 0.00 0.46 0.00 0.00 57.72 58.52 3i1m n HIS 51 Cb 0.51 -2.50 0.00 0.00 -0.12 0.00 0.00 29.99 27.88 3i1m n HIS 51 CO 0.00 0.00 0.00 0.27 0.46 0.00 0.00 176.34 177.07 3i1m n ASN 52 N 1.21 1.91 0.00 0.26 0.23 0.49 -4.88 115.26 114.48 3i1m n ASN 52 Ca 0.06 -1.91 0.00 0.00 -0.53 0.00 0.00 54.58 52.20 3i1m n ASN 52 Cb 0.36 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 3i1m n ASN 52 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3i1m n GLY 53 N -0.45 3.17 0.12 4.83 0.00 -1.26 -4.40 105.19 107.21 3i1m n GLY 53 Ca 0.00 -0.86 -0.17 0.00 0.00 0.00 0.00 46.02 44.99 3i1m n GLY 53 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i1m n ARG 54 N 0.00 0.69 -4.02 1.61 1.85 -1.26 -5.08 116.66 110.45 3i1m n ARG 54 Ca 0.00 0.17 -0.11 0.00 -1.00 0.00 0.00 57.85 56.91 3i1m n ARG 54 Cb 0.00 -1.60 -0.04 0.00 -1.05 0.00 0.00 32.46 29.77 3i1m n ARG 54 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 3i1m s GLN 55 N -2.53 1.76 -0.39 2.89 -0.44 -1.26 -5.14 119.66 114.55 3i1m s GLN 55 Ca -0.25 -1.50 -0.15 0.00 -2.50 0.00 0.00 55.36 50.95 3i1m s GLN 55 Cb 0.08 0.47 0.01 0.00 -1.64 0.00 0.00 33.01 31.92 3i1m s GLN 55 CO 0.70 -0.74 0.35 -1.01 0.50 0.00 0.00 175.29 175.09 3i1m s HIS 56 N -3.43 3.21 -0.02 1.67 3.76 -1.26 -0.38 115.29 118.83 3i1m s HIS 56 Ca 0.26 -0.33 -0.26 0.00 -0.15 0.00 0.00 55.06 54.58 3i1m s HIS 56 Cb -0.01 -2.69 -0.04 0.00 1.11 0.00 0.00 32.58 30.95 3i1m s HIS 56 CO 0.14 -0.55 0.80 0.14 -0.85 0.00 0.00 174.74 174.41 3i1m s VAL 57 N 1.92 4.92 0.15 -0.90 -7.23 0.31 -4.71 120.40 114.86 3i1m s VAL 57 Ca 0.09 1.67 -0.31 0.00 -1.81 0.00 0.00 61.98 61.62 3i1m s VAL 57 Cb -0.18 -4.14 -0.09 0.00 0.56 0.00 0.00 36.38 32.54 3i1m s VAL 57 CO 0.12 0.25 1.44 -2.16 -0.31 0.00 0.00 175.10 174.44 3i1m s PRO 58 N 0.66 4.29 0.04 4.82 0.04 -1.26 -1.14 135.00 142.44 3i1m s PRO 58 Ca 0.42 2.18 0.05 0.00 0.04 0.00 0.00 61.00 63.69 3i1m s PRO 58 Cb -0.19 -3.20 -0.02 0.00 0.04 0.00 0.00 34.50 31.12 3i1m s PRO 58 CO 0.22 -0.48 -0.14 0.08 0.04 0.00 0.00 177.00 176.73 3i1m s VAL 59 N 0.96 1.10 -0.53 -0.36 1.01 -1.02 -4.97 120.40 116.60 3i1m s VAL 59 Ca 0.65 -0.99 -0.05 0.00 0.00 0.00 0.00 61.98 61.59 3i1m s VAL 59 Cb -0.39 -1.00 0.14 0.00 0.00 0.00 0.00 36.38 35.13 3i1m s VAL 59 CO 0.32 0.00 0.36 0.12 0.00 0.00 0.00 175.10 175.90 3i1m s PHE 60 N -0.85 3.50 -0.80 5.22 5.36 -1.26 -3.66 117.98 125.48 3i1m s PHE 60 Ca 0.01 -2.37 -0.31 0.00 -0.96 0.00 0.00 56.93 53.30 3i1m s PHE 60 Cb -0.08 -3.32 -0.18 0.00 -0.34 0.00 0.00 43.02 39.10 3i1m s PHE 60 CO 0.01 -0.93 2.56 1.33 -1.46 0.00 0.00 175.22 176.73 3i1m n VAL 61 N 4.22 -0.01 -3.11 3.12 0.24 -1.26 -4.88 118.33 116.65 3i1m n VAL 61 Ca 0.01 -0.19 -0.29 0.00 -2.04 0.00 0.00 64.34 61.82 3i1m n VAL 61 Cb 0.40 -1.08 -0.03 0.00 -1.47 0.00 0.00 33.84 31.66 3i1m n VAL 61 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3i1m s THR 62 N 9.35 4.91 0.00 3.34 2.01 -1.26 -2.07 115.64 131.92 3i1m s THR 62 Ca 1.25 0.33 0.00 0.00 0.31 0.00 0.00 61.69 63.58 3i1m s THR 62 Cb -1.02 -3.73 0.00 0.00 0.01 0.00 0.00 72.50 67.76 3i1m s THR 62 CO 0.45 -0.41 0.00 -0.67 -0.69 0.00 0.00 174.62 173.30 3i1m n ASP 63 N -1.09 0.00 -2.76 3.53 4.64 -1.26 -1.17 116.55 118.44 3i1m n ASP 63 Ca 0.00 0.00 -0.04 0.00 -1.38 0.00 0.00 54.79 53.37 3i1m n ASP 63 Cb 0.54 0.00 0.04 0.00 -1.04 0.00 0.00 41.12 40.66 3i1m n ASP 63 CO 0.00 0.00 0.00 -1.84 -0.82 0.00 0.00 177.20 174.54 3i1m n GLU 64 N -2.45 1.47 -0.98 -0.67 -0.00 -1.26 -4.74 120.64 112.00 3i1m n GLU 64 Ca 0.00 -3.36 -0.15 0.00 -0.00 0.00 0.00 57.16 53.65 3i1m n GLU 64 Cb 0.00 -1.42 0.19 0.00 -0.00 0.00 0.00 31.44 30.21 3i1m n GLU 64 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3i1m n MET 65 N -0.38 2.50 0.02 3.44 2.81 -0.32 -4.68 117.12 120.51 3i1m n MET 65 Ca 0.08 -2.56 -0.11 0.00 -1.81 0.00 0.00 57.70 53.30 3i1m n MET 65 Cb 0.81 -2.02 -0.08 0.00 -0.71 0.00 0.00 33.22 31.21 3i1m n MET 65 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3i1m h VAL 66 N 1.34 1.00 0.00 2.03 2.07 -1.80 -3.24 116.25 117.65 3i1m h VAL 66 Ca 0.43 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.65 3i1m h VAL 66 Cb 2.42 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 33.90 3i1m h VAL 66 CO 0.83 0.27 0.00 0.61 0.02 0.00 0.00 177.57 179.30 3i1m n GLY 67 N 0.77 -0.54 3.92 2.17 0.00 -1.26 -3.07 105.19 107.18 3i1m n GLY 67 Ca -0.08 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 3i1m n GLY 67 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i1m s HIS 68 N -2.34 2.99 0.42 1.61 3.76 -1.22 -4.88 115.29 115.64 3i1m s HIS 68 Ca 0.13 -0.27 -0.09 0.00 -0.15 0.00 0.00 55.06 54.68 3i1m s HIS 68 Cb 0.08 -1.92 -0.06 0.00 1.11 0.00 0.00 32.58 31.79 3i1m s HIS 68 CO 0.16 0.07 0.77 0.15 -0.85 0.00 0.00 174.74 175.03 3i1m s LYS 69 N -4.09 3.72 0.35 1.40 -0.14 -1.26 -1.21 119.74 118.51 3i1m s LYS 69 Ca 0.43 0.40 0.13 0.00 -1.36 0.00 0.00 55.97 55.57 3i1m s LYS 69 Cb -0.08 -2.39 0.66 0.00 -1.68 0.00 0.00 37.83 34.34 3i1m s LYS 69 CO 0.29 -0.07 1.78 -0.07 -0.76 0.00 0.00 175.35 176.51 3i1m h LEU 70 N 1.02 0.00 0.00 3.17 3.38 -1.52 -2.99 115.31 118.37 3i1m h LEU 70 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3i1m h LEU 70 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3i1m h LEU 70 CO 0.63 0.42 0.00 0.61 0.09 0.00 0.00 178.44 180.19 3i1m n GLY 71 N -0.28 -0.79 0.06 0.83 0.00 -0.58 -2.55 105.19 101.87 3i1m n GLY 71 Ca -0.02 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.03 3i1m n GLY 71 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i1m n GLU 72 N -1.17 0.16 -0.04 1.61 1.02 -1.13 -3.61 120.64 117.48 3i1m n GLU 72 Ca 0.11 0.11 0.05 0.00 -0.02 0.00 0.00 57.16 57.41 3i1m n GLU 72 Cb 0.12 -1.67 0.07 0.00 -0.02 0.00 0.00 31.44 29.94 3i1m n GLU 72 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3i1m n PHE 73 N -1.94 0.11 -3.27 -0.32 0.99 -1.06 -4.73 117.46 107.24 3i1m n PHE 73 Ca 0.06 -0.13 -0.30 0.00 -0.00 0.00 0.00 57.45 57.07 3i1m n PHE 73 Cb 0.40 -0.01 -0.06 0.00 -1.00 0.00 0.00 39.48 38.81 3i1m n PHE 73 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3i1m n ALA 74 N 0.53 4.39 -1.48 4.37 0.00 -1.24 -5.02 120.51 122.06 3i1m n ALA 74 Ca 0.07 -4.77 -0.45 0.00 0.00 0.00 0.00 53.44 48.29 3i1m n ALA 74 Cb 0.30 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 18.59 3i1m n ALA 74 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3i1m n PRO 75 N 0.75 0.64 -0.08 0.00 -0.04 -1.26 -4.63 135.00 130.37 3i1m n PRO 75 Ca 0.30 0.23 -0.15 0.00 -0.04 0.00 0.00 63.50 63.84 3i1m n PRO 75 Cb 0.39 -1.44 -0.05 0.00 -0.04 0.00 0.00 33.50 32.37 3i1m n PRO 75 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3i1m n THR 76 N -0.17 1.31 -2.56 0.52 -2.24 -1.26 -4.82 114.28 105.06 3i1m n THR 76 Ca 0.13 -0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.45 3i1m n THR 76 Cb 0.32 -1.99 -0.03 0.00 -2.10 0.00 0.00 70.33 66.53 3i1m n THR 76 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i1m s ARG 77 N -2.55 4.40 -1.19 -0.78 0.52 -1.26 -4.95 118.95 113.14 3i1m s ARG 77 Ca -0.26 1.56 -0.07 0.00 -0.52 0.00 0.00 55.73 56.44 3i1m s ARG 77 Cb 0.07 -3.53 0.23 0.00 0.52 0.00 0.00 34.95 32.25 3i1m s ARG 77 CO 0.35 -0.35 1.69 0.25 0.02 0.00 0.00 175.30 177.26 3i1m n THR 78 N 4.47 4.80 -0.33 0.02 -2.24 -1.26 -5.02 114.28 114.73 3i1m n THR 78 Ca 0.10 -5.11 -0.29 0.00 -2.27 0.00 0.00 64.05 56.48 3i1m n THR 78 Cb 0.47 -2.23 0.27 0.00 -2.10 0.00 0.00 70.33 66.75 3i1m n THR 78 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i1m n TYR 79 N 2.72 -2.94 -0.78 4.78 0.18 -1.26 -5.32 117.16 114.54 3i1m n TYR 79 Ca 0.33 -0.55 0.00 0.00 1.88 0.00 0.00 57.90 59.56 3i1m n TYR 79 Cb 0.35 -1.45 0.00 0.00 -0.38 0.00 0.00 39.34 37.86 3i1m n TYR 79 CO 0.00 0.00 0.00 -2.13 -2.08 0.00 0.00 176.86 172.65