#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr7 n SER 2 N 0.00 1.72 -3.00 1.61 3.41 -1.26 -4.99 113.62 111.11 2cr7 n SER 2 Ca 0.00 0.53 -0.22 0.00 -0.26 0.00 0.00 58.87 58.92 2cr7 n SER 2 Cb 0.00 -0.81 0.04 0.00 -0.26 0.00 0.00 64.21 63.18 2cr7 n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2cr7 n SER 3 N -4.42 -6.00 0.00 4.04 2.88 -1.26 -4.60 113.62 104.26 2cr7 n SER 3 Ca -0.08 -0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.13 2cr7 n SER 3 Cb 0.31 -4.78 0.00 0.00 -0.75 0.00 0.00 64.21 58.99 2cr7 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cr7 n GLY 4 N -1.59 0.94 2.44 0.46 0.00 -1.26 -5.00 105.19 101.18 2cr7 n GLY 4 Ca -0.08 -0.57 -0.38 0.00 0.00 0.00 0.00 46.02 44.98 2cr7 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cr7 n SER 5 N 0.00 0.41 -4.18 1.61 2.88 -1.26 -4.87 113.62 108.21 2cr7 n SER 5 Ca 0.00 0.35 -0.34 0.00 -1.33 0.00 0.00 58.87 57.55 2cr7 n SER 5 Cb 0.00 -0.66 -0.15 0.00 -0.75 0.00 0.00 64.21 62.65 2cr7 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cr7 s SER 6 N 5.23 3.74 -0.60 -3.46 0.01 -1.26 -5.08 113.70 112.29 2cr7 s SER 6 Ca 0.92 -0.67 -0.24 0.00 1.31 0.00 0.00 55.95 57.27 2cr7 s SER 6 Cb -1.02 -1.59 0.05 0.00 0.21 0.00 0.00 66.02 63.67 2cr7 s SER 6 CO 0.43 -0.04 0.98 -0.83 0.41 0.00 0.00 173.24 174.19 2cr7 s GLY 7 N 1.33 1.35 0.02 3.44 0.00 -1.26 -4.88 107.32 107.33 2cr7 s GLY 7 Ca 0.03 -1.41 -0.17 0.00 0.00 0.00 0.00 44.72 43.17 2cr7 s GLY 7 CO -0.08 2.11 1.05 -2.08 0.00 0.00 0.00 173.10 174.10 2cr7 h VAL 8 N 6.01 1.35 -0.59 1.40 2.07 -2.02 -3.36 116.25 121.11 2cr7 h VAL 8 Ca -0.27 -2.44 0.05 0.00 0.82 0.00 0.00 66.70 64.87 2cr7 h VAL 8 Cb 1.07 2.81 -0.07 0.00 -1.52 0.00 0.00 31.29 33.58 2cr7 h VAL 8 CO 1.13 0.73 -0.35 1.41 0.02 0.00 0.00 177.57 180.51 2cr7 n HIS 9 N -3.92 -0.26 -0.92 1.57 8.25 -1.26 -4.45 115.22 114.23 2cr7 n HIS 9 Ca -0.14 0.74 -0.31 0.00 -0.26 0.00 0.00 57.72 57.75 2cr7 n HIS 9 Cb 0.92 -0.53 0.14 0.00 1.12 0.00 0.00 29.99 31.64 2cr7 n HIS 9 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2cr7 s VAL 10 N -4.65 2.55 -0.17 1.59 -7.23 -1.26 -5.05 120.40 106.18 2cr7 s VAL 10 Ca -0.07 0.18 -0.06 0.00 -1.81 0.00 0.00 61.98 60.22 2cr7 s VAL 10 Cb 0.07 -2.38 0.08 0.00 0.56 0.00 0.00 36.38 34.70 2cr7 s VAL 10 CO 0.37 -0.23 0.34 -1.61 -0.31 0.00 0.00 175.10 173.65 2cr7 s GLU 11 N -4.75 0.24 -0.30 4.82 0.41 -1.26 -5.03 118.70 112.83 2cr7 s GLU 11 Ca 0.65 0.85 -0.13 0.00 -0.41 0.00 0.00 54.97 55.93 2cr7 s GLU 11 Cb -0.21 0.07 0.16 0.00 -1.78 0.00 0.00 34.13 32.38 2cr7 s GLU 11 CO 0.57 -0.30 0.90 -0.51 -0.49 0.00 0.00 175.26 175.43 2cr7 s ASP 12 N 2.51 -0.74 0.11 -0.19 1.01 -1.26 -5.06 116.67 113.05 2cr7 s ASP 12 Ca 0.01 0.89 -0.21 0.00 0.71 0.00 0.00 52.55 53.95 2cr7 s ASP 12 Cb -0.12 1.79 -0.05 0.00 1.01 0.00 0.00 42.92 45.55 2cr7 s ASP 12 CO -0.11 -0.14 1.32 0.00 0.21 0.00 0.00 175.17 176.45 2cr7 n ALA 13 N 5.16 -0.43 -0.35 5.23 0.00 -1.26 0.92 120.51 129.77 2cr7 n ALA 13 Ca -0.09 0.58 0.30 0.00 0.00 0.00 0.00 53.44 54.23 2cr7 n ALA 13 Cb 0.52 0.04 0.51 0.00 0.00 0.00 0.00 19.45 20.52 2cr7 n ALA 13 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2cr7 n LEU 14 N -4.55 0.17 -0.12 0.00 4.77 -1.26 0.16 117.00 116.17 2cr7 n LEU 14 Ca 0.01 1.07 -0.05 0.00 -0.03 0.00 0.00 56.01 57.01 2cr7 n LEU 14 Cb 0.18 -0.52 0.03 0.00 -2.33 0.00 0.00 43.42 40.77 2cr7 n LEU 14 CO -0.11 -1.16 0.85 0.74 -1.33 0.00 0.00 177.39 176.38 2cr7 h THR 15 N 0.00 0.70 0.09 -5.08 2.02 0.13 0.24 112.91 111.00 2cr7 h THR 15 Ca 0.67 -0.03 -0.32 0.00 0.77 0.00 0.00 66.41 67.49 2cr7 h THR 15 Cb 2.14 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 69.12 2cr7 h THR 15 CO -0.37 0.02 -1.73 0.22 0.37 0.00 0.00 175.52 174.03 2cr7 h TYR 16 N 0.10 0.35 -0.14 3.16 5.03 0.14 -3.37 116.97 122.23 2cr7 h TYR 16 Ca 0.19 -0.26 0.02 0.00 2.58 0.00 0.00 58.73 61.27 2cr7 h TYR 16 Cb 0.28 -0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.52 2cr7 h TYR 16 CO -0.27 1.42 0.02 1.25 -1.32 0.00 0.00 178.16 179.26 2cr7 h LEU 17 N 0.05 -0.02 -1.21 2.82 6.46 -0.56 -2.18 115.31 120.68 2cr7 h LEU 17 Ca -0.31 0.03 0.44 0.00 -0.12 0.00 0.00 57.88 57.91 2cr7 h LEU 17 Cb 2.02 0.04 -0.14 0.00 -0.73 0.00 0.00 40.66 41.85 2cr7 h LEU 17 CO 0.12 0.01 0.75 -0.90 -0.62 0.00 0.00 178.44 177.80 2cr7 n ASP 18 N -5.10 0.24 0.27 1.25 5.75 0.81 0.49 116.55 120.26 2cr7 n ASP 18 Ca -0.04 1.39 -0.16 0.00 -0.01 0.00 0.00 54.79 55.97 2cr7 n ASP 18 Cb 0.08 -0.68 -0.08 0.00 -1.03 0.00 0.00 41.12 39.40 2cr7 n ASP 18 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 2cr7 h GLN 19 N 0.00 -0.64 -0.89 0.11 1.08 -1.60 -2.68 115.11 110.49 2cr7 h GLN 19 Ca 0.83 0.04 0.22 0.00 -1.45 0.00 0.00 58.65 58.29 2cr7 h GLN 19 Cb 2.55 0.15 -0.12 0.00 -0.05 0.00 0.00 27.48 30.00 2cr7 h GLN 19 CO -0.52 -0.43 0.38 0.28 -0.95 0.00 0.00 178.83 177.59 2cr7 h VAL 20 N -0.66 0.47 0.02 -0.54 2.07 -0.05 0.42 116.25 117.97 2cr7 h VAL 20 Ca -0.06 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.35 2cr7 h VAL 20 Cb 0.52 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 2cr7 h VAL 20 CO 0.09 0.07 -0.14 0.50 0.02 0.00 0.00 177.57 178.11 2cr7 h LYS 21 N 0.39 -0.23 0.41 1.57 3.64 -1.27 0.11 116.57 121.19 2cr7 h LYS 21 Ca 0.56 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.93 2cr7 h LYS 21 Cb 1.05 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2cr7 h LYS 21 CO -0.53 -0.15 -0.20 0.82 -2.27 0.00 0.00 179.45 177.12 2cr7 h ILE 22 N -0.24 0.60 -0.66 2.00 2.04 -0.78 -1.08 117.51 119.39 2cr7 h ILE 22 Ca 0.04 -0.14 0.12 0.00 1.00 0.00 0.00 64.86 65.88 2cr7 h ILE 22 Cb 0.29 0.67 -0.09 0.00 -0.74 0.00 0.00 36.82 36.95 2cr7 h ILE 22 CO -0.12 0.03 0.19 0.03 0.00 0.00 0.00 178.15 178.28 2cr7 h ARG 23 N -0.63 0.32 -1.19 2.37 2.47 -0.89 -0.79 114.38 116.03 2cr7 h ARG 23 Ca -0.06 -0.02 -0.69 0.00 -1.26 0.00 0.00 59.98 57.95 2cr7 h ARG 23 Cb 0.47 -0.07 -0.29 0.00 -1.65 0.00 0.00 29.97 28.43 2cr7 h ARG 23 CO 0.09 0.21 0.87 1.19 0.56 0.00 0.00 179.97 182.90 2cr7 n PHE 24 N -5.09 3.18 0.00 3.04 3.72 0.38 -4.82 117.46 117.87 2cr7 n PHE 24 Ca 0.11 -2.88 0.00 0.00 -0.05 0.00 0.00 57.45 54.63 2cr7 n PHE 24 Cb 0.36 -1.38 0.00 0.00 -0.94 0.00 0.00 39.48 37.52 2cr7 n PHE 24 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2cr7 n GLY 25 N -0.84 -3.37 1.68 1.37 0.00 -0.31 -1.68 105.19 102.05 2cr7 n GLY 25 Ca 0.61 0.57 -0.10 0.00 0.00 0.00 0.00 46.02 47.10 2cr7 n GLY 25 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cr7 n SER 26 N -1.43 5.53 -3.74 1.61 2.88 -1.26 -4.58 113.62 112.63 2cr7 n SER 26 Ca 0.00 -2.76 -0.28 0.00 -1.33 0.00 0.00 58.87 54.50 2cr7 n SER 26 Cb 0.00 -0.99 -0.11 0.00 -0.75 0.00 0.00 64.21 62.35 2cr7 n SER 26 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2cr7 n ASP 27 N 0.62 2.11 0.17 -3.46 8.00 -0.67 -4.92 116.55 118.40 2cr7 n ASP 27 Ca 0.19 -3.00 0.02 0.00 0.71 0.00 0.00 54.79 52.71 2cr7 n ASP 27 Cb 0.61 -0.70 0.32 0.00 -0.02 0.00 0.00 41.12 41.32 2cr7 n ASP 27 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2cr7 h PRO 28 N 5.37 0.00 0.24 -0.24 0.13 -1.81 -1.71 132.00 133.99 2cr7 h PRO 28 Ca 0.18 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.30 2cr7 h PRO 28 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2cr7 h PRO 28 CO 0.63 0.44 -0.12 0.00 -0.23 0.00 0.00 178.00 178.72 2cr7 h ALA 29 N 1.56 -0.33 -0.36 -0.56 0.00 -1.95 0.21 119.26 117.83 2cr7 h ALA 29 Ca -0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 2cr7 h ALA 29 Cb 0.82 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2cr7 h ALA 29 CO 0.06 -0.54 -0.22 1.15 0.00 0.00 0.00 179.25 179.70 2cr7 h THR 30 N -0.61 1.29 -0.30 0.00 2.02 -1.95 -2.90 112.91 110.45 2cr7 h THR 30 Ca -0.03 -1.36 -0.08 0.00 0.77 0.00 0.00 66.41 65.71 2cr7 h THR 30 Cb 0.44 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 2cr7 h THR 30 CO 0.06 0.45 -0.15 0.22 0.37 0.00 0.00 175.52 176.46 2cr7 h TYR 31 N 0.57 0.58 -0.59 3.16 3.20 -1.34 -2.90 116.97 119.64 2cr7 h TYR 31 Ca 0.07 -0.10 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 2cr7 h TYR 31 Cb 0.77 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.86 2cr7 h TYR 31 CO 0.06 0.66 0.31 -0.91 -1.64 0.00 0.00 178.16 176.64 2cr7 h ASN 32 N 0.49 0.75 0.20 -2.11 4.21 -0.47 -3.08 115.58 115.57 2cr7 h ASN 32 Ca 0.08 -0.11 0.00 0.00 1.21 0.00 0.00 56.30 57.49 2cr7 h ASN 32 Cb 0.55 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 37.54 2cr7 h ASN 32 CO 0.04 0.65 -0.18 1.23 -1.29 0.00 0.00 177.43 177.87 2cr7 h GLY 33 N 0.80 -0.40 0.83 2.83 0.00 -1.31 -0.77 103.07 105.06 2cr7 h GLY 33 Ca 0.21 0.20 0.05 0.00 0.00 0.00 0.00 47.33 47.79 2cr7 h GLY 33 CO -0.03 -0.18 0.54 -2.75 0.00 0.00 0.00 176.54 174.12 2cr7 h PHE 34 N -0.40 0.00 0.12 5.60 3.57 -1.45 0.32 116.94 124.69 2cr7 h PHE 34 Ca -0.00 0.00 -0.36 0.00 3.53 0.00 0.00 57.97 61.14 2cr7 h PHE 34 Cb 0.37 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 2cr7 h PHE 34 CO -0.13 0.00 -1.96 1.28 -2.23 0.00 0.00 178.31 175.26 2cr7 n LEU 35 N -3.05 2.47 0.25 0.59 4.77 -0.54 -3.50 117.00 117.98 2cr7 n LEU 35 Ca 0.02 0.23 0.12 0.00 -0.03 0.00 0.00 56.01 56.36 2cr7 n LEU 35 Cb 0.63 -1.00 0.61 0.00 -2.33 0.00 0.00 43.42 41.32 2cr7 n LEU 35 CO 0.15 0.81 0.90 1.05 -1.33 0.00 0.00 177.39 178.97 2cr7 h GLU 36 N 0.07 0.00 0.01 3.23 4.11 0.91 -2.75 114.58 120.16 2cr7 h GLU 36 Ca -0.41 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.00 2cr7 h GLU 36 Cb 2.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.29 2cr7 h GLU 36 CO 0.09 0.16 -0.10 0.82 0.07 0.00 0.00 179.01 180.05 2cr7 h ILE 37 N 0.00 1.66 -0.82 -1.06 2.04 -1.17 -3.31 117.51 114.85 2cr7 h ILE 37 Ca -0.00 -2.07 0.07 0.00 1.00 0.00 0.00 64.86 63.86 2cr7 h ILE 37 Cb 0.54 3.04 -0.05 0.00 -0.74 0.00 0.00 36.82 39.61 2cr7 h ILE 37 CO 0.02 0.55 0.54 0.24 0.00 0.00 0.00 178.15 179.49 2cr7 h MET 38 N -0.77 0.85 -0.68 2.37 2.86 -1.58 -2.06 114.93 115.92 2cr7 h MET 38 Ca -0.01 -0.05 0.14 0.00 -2.06 0.00 0.00 59.70 57.71 2cr7 h MET 38 Cb 0.95 -0.19 -0.10 0.00 0.06 0.00 0.00 31.60 32.32 2cr7 h MET 38 CO 0.02 0.56 0.16 0.87 1.06 0.00 0.00 176.91 179.58 2cr7 h LYS 39 N 0.87 0.26 0.13 1.72 1.57 -1.57 -0.70 116.57 118.86 2cr7 h LYS 39 Ca 0.36 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.14 2cr7 h LYS 39 Cb 0.28 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 2cr7 h LYS 39 CO -0.13 0.17 -0.30 0.93 -0.57 0.00 0.00 179.45 179.55 2cr7 h GLU 40 N 0.27 -0.51 -0.70 3.15 4.39 -1.47 -2.08 114.58 117.63 2cr7 h GLU 40 Ca 0.37 0.03 0.09 0.00 0.34 0.00 0.00 59.36 60.20 2cr7 h GLU 40 Cb 0.60 0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 29.30 2cr7 h GLU 40 CO -0.47 -0.34 0.35 0.35 -1.16 0.00 0.00 179.01 177.74 2cr7 h PHE 41 N -0.53 0.63 -0.58 4.33 3.04 -1.37 0.36 116.94 122.82 2cr7 h PHE 41 Ca 0.03 0.03 0.12 0.00 3.98 0.00 0.00 57.97 62.13 2cr7 h PHE 41 Cb 0.55 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 38.85 2cr7 h PHE 41 CO -0.27 0.23 0.40 0.87 -2.02 0.00 0.00 178.31 177.53 2cr7 h LYS 42 N 0.60 0.25 -0.71 1.11 1.57 -0.61 0.27 116.57 119.06 2cr7 h LYS 42 Ca 0.34 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 59.08 2cr7 h LYS 42 Cb 0.35 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 2cr7 h LYS 42 CO -0.26 0.17 0.04 0.43 -0.57 0.00 0.00 179.45 179.26 2cr7 n SER 43 N -4.45 4.56 -2.52 0.86 7.64 -0.07 -4.89 113.62 114.75 2cr7 n SER 43 Ca 0.10 -2.75 -0.14 0.00 1.01 0.00 0.00 58.87 57.08 2cr7 n SER 43 Cb 0.46 -0.65 -0.00 0.00 -1.01 0.00 0.00 64.21 63.01 2cr7 n SER 43 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2cr7 n GLN 44 N 0.38 -2.35 -0.00 1.43 6.02 0.95 -4.85 117.38 118.96 2cr7 n GLN 44 Ca 0.23 0.64 -0.19 0.00 -0.01 0.00 0.00 57.00 57.67 2cr7 n GLN 44 Cb 1.01 -5.26 -0.14 0.00 1.02 0.00 0.00 30.24 26.87 2cr7 n GLN 44 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 2cr7 h SER 45 N -0.12 0.28 -1.27 1.08 0.02 -1.21 -3.48 113.55 108.86 2cr7 h SER 45 Ca -0.33 -0.91 -0.57 0.00 -0.84 0.00 0.00 61.79 59.14 2cr7 h SER 45 Cb 1.24 -0.09 -0.07 0.00 0.14 0.00 0.00 62.40 63.62 2cr7 h SER 45 CO 0.39 1.34 -0.44 0.27 -1.14 0.00 0.00 176.83 177.25 2cr7 s ILE 46 N -2.37 2.14 0.54 3.27 -4.36 -1.25 -4.96 121.20 114.20 2cr7 s ILE 46 Ca -0.18 -1.62 0.03 0.00 -0.26 0.00 0.00 60.65 58.62 2cr7 s ILE 46 Cb 0.01 -2.76 0.02 0.00 1.25 0.00 0.00 42.46 40.98 2cr7 s ILE 46 CO 0.76 0.00 0.21 -1.81 0.24 0.00 0.00 174.94 174.34 2cr7 s ASP 47 N -4.02 4.39 0.15 4.36 1.01 -1.26 -4.64 116.67 116.65 2cr7 s ASP 47 Ca 0.38 -1.48 -0.29 0.00 0.71 0.00 0.00 52.55 51.87 2cr7 s ASP 47 Cb 0.01 0.56 -0.04 0.00 1.01 0.00 0.00 42.92 44.46 2cr7 s ASP 47 CO 0.22 -1.02 1.56 0.74 0.21 0.00 0.00 175.17 176.88 2cr7 h THR 48 N 1.01 0.05 0.00 -1.27 2.02 -2.01 0.42 112.91 113.13 2cr7 h THR 48 Ca -0.40 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.78 2cr7 h THR 48 Cb 1.31 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 2cr7 h THR 48 CO 0.65 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.73 2cr7 n PRO 49 N -5.39 0.09 0.10 6.66 -0.04 -1.26 -2.81 135.00 132.35 2cr7 n PRO 49 Ca -0.01 0.34 -0.18 0.00 -0.04 0.00 0.00 63.50 63.60 2cr7 n PRO 49 Cb 0.34 -1.68 -0.14 0.00 -0.04 0.00 0.00 33.50 31.98 2cr7 n PRO 49 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2cr7 h GLY 50 N 2.33 0.38 2.00 0.55 0.00 -0.59 -3.13 103.07 104.61 2cr7 h GLY 50 Ca 0.00 -0.96 -0.15 0.00 0.00 0.00 0.00 47.33 46.22 2cr7 h GLY 50 CO 0.00 0.84 -0.72 -0.24 0.00 0.00 0.00 176.54 176.42 2cr7 h VAL 51 N 0.09 1.37 -0.20 4.60 3.04 -1.05 -3.23 116.25 120.87 2cr7 h VAL 51 Ca -0.19 -2.60 -0.16 0.00 -1.01 0.00 0.00 66.70 62.74 2cr7 h VAL 51 Cb 2.03 2.46 -0.01 0.00 -2.01 0.00 0.00 31.29 33.76 2cr7 h VAL 51 CO 0.21 0.71 -0.53 0.40 -1.01 0.00 0.00 177.57 177.34 2cr7 h ILE 52 N 0.00 1.32 -0.27 3.17 2.04 -1.63 -2.31 117.51 119.83 2cr7 h ILE 52 Ca -0.01 -1.77 0.02 0.00 1.00 0.00 0.00 64.86 64.11 2cr7 h ILE 52 Cb 1.40 1.74 -0.03 0.00 -0.74 0.00 0.00 36.82 39.19 2cr7 h ILE 52 CO 0.09 0.55 0.11 -0.09 0.00 0.00 0.00 178.15 178.82 2cr7 h ARG 53 N 0.45 0.23 -0.19 2.37 2.43 -1.56 0.22 114.38 118.33 2cr7 h ARG 53 Ca 0.01 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2cr7 h ARG 53 Cb 1.08 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 2cr7 h ARG 53 CO 0.10 0.16 -0.04 0.00 -1.51 0.00 0.00 179.97 178.68 2cr7 h ARG 54 N 0.24 0.36 0.51 0.20 3.08 -1.62 -3.16 114.38 114.00 2cr7 h ARG 54 Ca 0.11 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2cr7 h ARG 54 Cb 0.06 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2cr7 h ARG 54 CO -0.10 0.61 -0.32 0.28 -1.07 0.00 0.00 179.97 179.37 2cr7 h VAL 55 N 0.08 0.35 -1.51 2.04 2.07 -1.21 -0.28 116.25 117.78 2cr7 h VAL 55 Ca 0.05 0.00 0.45 0.00 0.82 0.00 0.00 66.70 68.02 2cr7 h VAL 55 Cb 0.47 0.35 -0.09 0.00 -1.52 0.00 0.00 31.29 30.50 2cr7 h VAL 55 CO 0.02 0.00 1.06 0.77 0.02 0.00 0.00 177.57 179.43 2cr7 h SER 56 N -0.79 0.10 0.49 0.57 4.64 -0.63 1.08 113.55 119.01 2cr7 h SER 56 Ca -0.06 0.05 -0.30 0.00 -0.47 0.00 0.00 61.79 61.01 2cr7 h SER 56 Cb 0.64 0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.76 2cr7 h SER 56 CO 0.06 -0.05 -1.54 1.56 -0.87 0.00 0.00 176.83 176.00 2cr7 h GLN 57 N 0.05 0.19 -0.25 4.77 1.08 -1.34 -3.08 115.11 116.53 2cr7 h GLN 57 Ca 0.78 -0.33 0.00 0.00 -1.45 0.00 0.00 58.65 57.65 2cr7 h GLN 57 Cb 2.87 0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 30.41 2cr7 h GLN 57 CO -0.15 1.02 0.17 1.25 -0.95 0.00 0.00 178.83 180.17 2cr7 h LEU 58 N 0.05 0.29 -3.92 1.46 5.85 0.29 -2.68 115.31 116.65 2cr7 h LEU 58 Ca -0.24 -0.01 -0.57 0.00 0.84 0.00 0.00 57.88 57.90 2cr7 h LEU 58 Cb 1.99 -0.07 -0.29 0.00 0.37 0.00 0.00 40.66 42.66 2cr7 h LEU 58 CO 0.14 0.21 0.59 0.49 -0.34 0.00 0.00 178.44 179.53 2cr7 n PHE 59 N -4.91 2.96 -0.34 1.25 3.72 -0.47 -4.69 117.46 114.97 2cr7 n PHE 59 Ca -0.02 -2.45 0.18 0.00 -0.05 0.00 0.00 57.45 55.11 2cr7 n PHE 59 Cb 0.03 -1.11 0.40 0.00 -0.94 0.00 0.00 39.48 37.85 2cr7 n PHE 59 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 176.76 177.83 2cr7 h HIS 60 N 1.59 0.98 -0.01 1.38 2.07 -1.38 0.50 115.15 120.28 2cr7 h HIS 60 Ca 0.57 0.03 -0.14 0.00 -2.85 0.00 0.00 60.37 57.98 2cr7 h HIS 60 Cb 1.64 -0.28 -0.02 0.00 2.57 0.00 0.00 27.41 31.32 2cr7 h HIS 60 CO 1.41 0.07 -0.64 0.93 -3.07 0.00 0.00 177.93 176.63 2cr7 h GLU 61 N 0.57 0.05 -3.53 5.12 4.39 -1.86 -3.37 114.58 115.96 2cr7 h GLU 61 Ca 0.64 -0.04 -0.74 0.00 0.34 0.00 0.00 59.36 59.56 2cr7 h GLU 61 Cb 1.25 0.01 -0.32 0.00 -0.10 0.00 0.00 28.75 29.58 2cr7 h GLU 61 CO -0.45 0.68 -0.02 -1.01 -1.16 0.00 0.00 179.01 177.05 2cr7 s HIS 62 N -3.58 3.82 0.30 4.33 3.76 0.17 -4.88 115.29 119.21 2cr7 s HIS 62 Ca -0.02 -2.68 0.09 0.00 -0.15 0.00 0.00 55.06 52.30 2cr7 s HIS 62 Cb 0.12 -3.46 0.47 0.00 1.11 0.00 0.00 32.58 30.82 2cr7 s HIS 62 CO 0.77 -0.85 1.69 -1.00 -0.85 0.00 0.00 174.74 174.50 2cr7 h PRO 63 N 6.73 0.12 -0.96 8.40 0.13 -1.73 -3.08 132.00 141.62 2cr7 h PRO 63 Ca 0.11 -0.06 0.15 0.00 -0.87 0.00 0.00 66.00 65.32 2cr7 h PRO 63 Cb 0.90 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.95 2cr7 h PRO 63 CO 0.83 0.58 0.61 -0.44 -0.23 0.00 0.00 178.00 179.34 2cr7 h ASP 64 N 0.10 0.78 -0.05 1.44 3.32 -1.90 -1.63 116.42 118.48 2cr7 h ASP 64 Ca 0.00 0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 2cr7 h ASP 64 Cb 0.88 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.34 2cr7 h ASP 64 CO 0.07 0.37 -0.30 -0.07 -1.72 0.00 0.00 179.24 177.59 2cr7 h LEU 65 N 0.81 0.36 -1.08 1.55 3.38 -1.90 -1.49 115.31 116.94 2cr7 h LEU 65 Ca 0.50 -0.67 0.20 0.00 0.09 0.00 0.00 57.88 58.00 2cr7 h LEU 65 Cb 0.70 -0.11 -0.10 0.00 0.09 0.00 0.00 40.66 41.24 2cr7 h LEU 65 CO -0.27 0.97 0.61 0.40 0.09 0.00 0.00 178.44 180.25 2cr7 h ILE 66 N -0.22 0.69 0.12 1.22 2.04 -1.34 0.10 117.51 120.13 2cr7 h ILE 66 Ca -0.02 -0.24 -0.19 0.00 1.00 0.00 0.00 64.86 65.40 2cr7 h ILE 66 Cb 0.97 -0.08 0.02 0.00 -0.74 0.00 0.00 36.82 36.99 2cr7 h ILE 66 CO 0.06 0.13 -0.83 0.58 0.00 0.00 0.00 178.15 178.09 2cr7 h VAL 67 N 0.71 1.48 0.44 1.67 2.07 -1.35 -3.35 116.25 117.91 2cr7 h VAL 67 Ca 0.57 -2.46 -0.01 0.00 0.82 0.00 0.00 66.70 65.62 2cr7 h VAL 67 Cb 0.96 3.07 -0.01 0.00 -1.52 0.00 0.00 31.29 33.78 2cr7 h VAL 67 CO -0.36 0.70 -0.34 1.23 0.02 0.00 0.00 177.57 178.82 2cr7 h GLY 68 N -0.27 -0.86 -0.82 2.17 0.00 -0.31 -1.91 103.07 101.08 2cr7 h GLY 68 Ca -0.14 0.39 0.15 0.00 0.00 0.00 0.00 47.33 47.73 2cr7 h GLY 68 CO 0.16 -0.31 -0.25 0.33 0.00 0.00 0.00 176.54 176.47 2cr7 n PHE 69 N -5.47 0.20 0.08 5.60 7.35 0.27 0.23 117.46 125.71 2cr7 n PHE 69 Ca -0.11 1.01 -0.13 0.00 -0.76 0.00 0.00 57.45 57.46 2cr7 n PHE 69 Cb 0.36 -0.92 -0.08 0.00 0.35 0.00 0.00 39.48 39.19 2cr7 n PHE 69 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 2cr7 h ASN 70 N 0.00 -0.14 0.05 -2.13 2.35 -1.64 0.54 115.58 114.60 2cr7 h ASN 70 Ca 0.36 -0.20 0.02 0.00 -0.55 0.00 0.00 56.30 55.93 2cr7 h ASN 70 Cb 0.56 0.04 -0.05 0.00 0.05 0.00 0.00 38.32 38.92 2cr7 h ASN 70 CO -0.84 0.12 -0.48 0.00 -1.65 0.00 0.00 177.43 174.59 2cr7 h ALA 71 N 0.42 -0.83 -0.29 -0.83 0.00 0.60 -2.73 119.26 115.59 2cr7 h ALA 71 Ca -0.02 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2cr7 h ALA 71 Cb 0.34 0.83 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2cr7 h ALA 71 CO 0.03 -1.04 0.03 0.35 0.00 0.00 0.00 179.25 178.62 2cr7 h PHE 72 N -0.66 0.53 -0.68 0.00 3.57 -0.54 -3.45 116.94 115.70 2cr7 h PHE 72 Ca 0.02 -0.08 -0.49 0.00 3.53 0.00 0.00 57.97 60.95 2cr7 h PHE 72 Cb 0.71 -0.14 0.06 0.00 2.79 0.00 0.00 35.95 39.36 2cr7 h PHE 72 CO -0.45 0.60 -0.19 -0.11 -2.23 0.00 0.00 178.31 175.93 2cr7 n LEU 73 N -4.62 -0.49 -4.76 0.59 7.94 0.19 -4.87 117.00 110.98 2cr7 n LEU 73 Ca -0.03 0.77 -0.31 0.00 -1.11 0.00 0.00 56.01 55.34 2cr7 n LEU 73 Cb 0.22 -0.64 0.10 0.00 0.53 0.00 0.00 43.42 43.64 2cr7 n LEU 73 CO 0.38 -1.71 0.69 -2.16 -1.11 0.00 0.00 177.39 173.48 2cr7 s PRO 74 N -0.39 2.03 -0.23 1.96 0.04 -1.26 -4.95 135.00 132.20 2cr7 s PRO 74 Ca 0.51 1.09 0.18 0.00 0.04 0.00 0.00 61.00 62.82 2cr7 s PRO 74 Cb -0.73 -1.88 0.48 0.00 0.04 0.00 0.00 34.50 32.41 2cr7 s PRO 74 CO 0.38 -1.78 1.15 0.45 0.04 0.00 0.00 177.00 177.24 2cr7 n SER 75 N -3.61 2.47 0.00 6.66 2.88 -1.26 -5.11 113.62 115.66 2cr7 n SER 75 Ca 0.09 -2.66 0.00 0.00 -1.33 0.00 0.00 58.87 54.96 2cr7 n SER 75 Cb 0.53 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 2cr7 n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cr7 n GLY 76 N -0.52 0.59 3.77 0.46 0.00 -1.26 -4.99 105.19 103.23 2cr7 n GLY 76 Ca 0.18 -1.71 -0.39 0.00 0.00 0.00 0.00 46.02 44.11 2cr7 n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cr7 s PRO 77 N -3.27 4.14 -0.05 1.61 0.04 -1.26 -5.02 135.00 131.19 2cr7 s PRO 77 Ca 0.00 1.92 -0.17 0.00 0.04 0.00 0.00 61.00 62.80 2cr7 s PRO 77 Cb 0.00 -2.79 -0.05 0.00 0.04 0.00 0.00 34.50 31.70 2cr7 s PRO 77 CO 0.00 -0.27 0.45 -1.54 0.04 0.00 0.00 177.00 175.68 2cr7 s SER 78 N -0.98 6.77 0.16 6.66 1.04 -1.26 -5.04 113.70 121.05 2cr7 s SER 78 Ca 0.55 0.92 -0.31 0.00 0.48 0.00 0.00 55.95 57.58 2cr7 s SER 78 Cb -0.33 -2.28 -0.09 0.00 0.10 0.00 0.00 66.02 63.42 2cr7 s SER 78 CO 0.42 0.17 1.46 -0.94 0.98 0.00 0.00 173.24 175.32 2cr7 s SER 79 N -0.26 6.72 0.00 7.02 1.04 -1.26 -5.30 113.70 121.66 2cr7 s SER 79 Ca 0.25 2.48 0.00 0.00 0.48 0.00 0.00 55.95 59.16 2cr7 s SER 79 Cb -0.16 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.36 2cr7 s SER 79 CO 0.12 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.24