#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 1.85 -3.27 1.61 7.64 -1.26 -5.01 113.62 115.18 2cr7 n SER 2 Ca 0.00 0.32 -0.24 0.00 1.01 0.00 0.00 58.87 59.96 2cr7 n SER 2 Cb 0.00 -0.75 0.04 0.00 -1.01 0.00 0.00 64.21 62.49 2cr7 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2cr7 n SER 3 N -4.23 -5.88 -2.16 6.43 7.64 -1.26 -4.90 113.62 109.26 2cr7 n SER 3 Ca -0.40 -0.40 -0.26 0.00 1.01 0.00 0.00 58.87 58.82 2cr7 n SER 3 Cb 0.75 -4.72 0.02 0.00 -1.01 0.00 0.00 64.21 59.26 2cr7 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cr7 n GLY 4 N -1.63 6.26 3.58 0.23 0.00 -1.26 -5.02 105.19 107.35 2cr7 n GLY 4 Ca -0.06 -2.65 -0.41 0.00 0.00 0.00 0.00 46.02 42.90 2cr7 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cr7 s SER 5 N -3.35 5.28 0.00 1.61 1.04 -1.26 -4.93 113.70 112.08 2cr7 s SER 5 Ca 0.52 1.44 -0.04 0.00 0.48 0.00 0.00 55.95 58.34 2cr7 s SER 5 Cb 0.42 -2.51 -0.00 0.00 0.10 0.00 0.00 66.02 64.02 2cr7 s SER 5 CO -0.02 -2.17 0.08 -0.44 0.98 0.00 0.00 173.24 171.67 2cr7 s SER 6 N 8.77 0.08 0.00 7.02 0.01 -1.26 -5.01 113.70 123.31 2cr7 s SER 6 Ca 0.93 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.95 2cr7 s SER 6 Cb -0.25 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.15 2cr7 s SER 6 CO 0.31 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.28 2cr7 n GLY 7 N 1.75 0.55 3.09 3.44 0.00 -1.26 -5.08 105.19 107.68 2cr7 n GLY 7 Ca -0.22 0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 2cr7 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cr7 s VAL 8 N 0.00 -0.53 -0.56 1.61 0.11 -1.26 -5.08 120.40 114.70 2cr7 s VAL 8 Ca 0.00 0.18 0.04 0.00 -2.93 0.00 0.00 61.98 59.27 2cr7 s VAL 8 Cb 0.00 -0.58 0.15 0.00 -1.53 0.00 0.00 36.38 34.42 2cr7 s VAL 8 CO 0.00 0.06 0.34 -1.00 -3.33 0.00 0.00 175.10 171.17 2cr7 s HIS 9 N 2.51 2.96 -0.91 1.54 3.76 -1.26 -4.86 115.29 119.03 2cr7 s HIS 9 Ca 0.01 -3.04 -0.12 0.00 -0.15 0.00 0.00 55.06 51.77 2cr7 s HIS 9 Cb -0.13 -2.49 0.12 0.00 1.11 0.00 0.00 32.58 31.19 2cr7 s HIS 9 CO -0.11 -0.69 0.29 1.55 -0.85 0.00 0.00 174.74 174.93 2cr7 n VAL 10 N 2.78 0.00 -4.42 -0.90 3.14 -1.26 -4.85 118.33 112.83 2cr7 n VAL 10 Ca 0.12 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.25 2cr7 n VAL 10 Cb 0.34 -0.24 -0.11 0.00 -1.06 0.00 0.00 33.84 32.77 2cr7 n VAL 10 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 2cr7 s GLU 11 N -4.79 1.51 0.30 1.45 2.12 -1.26 -5.01 118.70 113.02 2cr7 s GLU 11 Ca 0.41 -1.58 -0.16 0.00 0.36 0.00 0.00 54.97 54.00 2cr7 s GLU 11 Cb -0.24 -1.70 -0.12 0.00 0.26 0.00 0.00 34.13 32.34 2cr7 s GLU 11 CO 0.50 0.35 0.07 -3.47 -0.54 0.00 0.00 175.26 172.16 2cr7 n ASP 12 N -0.00 -2.15 -4.19 -1.70 2.03 -1.26 -4.88 116.55 104.39 2cr7 n ASP 12 Ca -0.10 0.61 -0.35 0.00 0.52 0.00 0.00 54.79 55.46 2cr7 n ASP 12 Cb 0.57 -0.66 -0.14 0.00 -0.72 0.00 0.00 41.12 40.18 2cr7 n ASP 12 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2cr7 s ALA 13 N -1.26 2.83 0.00 -1.67 0.00 -1.26 -4.89 121.76 115.52 2cr7 s ALA 13 Ca 0.44 -1.74 0.00 0.00 0.00 0.00 0.00 51.96 50.67 2cr7 s ALA 13 Cb -0.48 -1.96 0.00 0.00 0.00 0.00 0.00 23.12 20.68 2cr7 s ALA 13 CO 0.47 -1.25 0.00 1.47 0.00 0.00 0.00 175.76 176.45 2cr7 n LEU 14 N 4.65 0.00 -0.53 0.00 -0.00 -1.26 -4.67 117.00 115.19 2cr7 n LEU 14 Ca -0.13 0.00 0.43 0.00 -0.00 0.00 0.00 56.01 56.31 2cr7 n LEU 14 Cb 0.44 0.00 0.74 0.00 -0.00 0.00 0.00 43.42 44.59 2cr7 n LEU 14 CO 0.27 0.00 1.36 0.74 -0.00 0.00 0.00 177.39 179.76 2cr7 h THR 15 N 0.00 0.13 0.01 1.47 2.02 -1.98 1.59 112.91 116.15 2cr7 h THR 15 Ca 0.00 -0.01 -0.26 0.00 0.77 0.00 0.00 66.41 66.90 2cr7 h THR 15 Cb 0.52 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 66.97 2cr7 h THR 15 CO 0.00 0.01 -1.42 0.22 0.37 0.00 0.00 175.52 174.69 2cr7 h TYR 16 N 0.04 0.04 0.34 3.16 5.03 -1.98 -3.32 116.97 120.28 2cr7 h TYR 16 Ca 0.82 -0.03 -0.02 0.00 2.58 0.00 0.00 58.73 62.09 2cr7 h TYR 16 Cb 3.01 -0.00 0.00 0.00 1.55 0.00 0.00 36.73 41.29 2cr7 h TYR 16 CO -0.00 1.03 -0.17 1.25 -1.32 0.00 0.00 178.16 178.96 2cr7 h LEU 17 N 0.01 -0.39 -0.69 2.82 7.12 0.20 -2.42 115.31 121.96 2cr7 h LEU 17 Ca -0.18 -0.01 0.12 0.00 0.13 0.00 0.00 57.88 57.94 2cr7 h LEU 17 Cb 1.92 0.10 -0.09 0.00 -0.53 0.00 0.00 40.66 42.06 2cr7 h LEU 17 CO 0.10 -0.25 0.26 -2.24 -0.13 0.00 0.00 178.44 176.19 2cr7 h ASP 18 N -0.50 0.23 0.17 1.25 3.04 -1.51 -2.24 116.42 116.86 2cr7 h ASP 18 Ca -0.05 0.10 0.01 0.00 -3.24 0.00 0.00 57.03 53.86 2cr7 h ASP 18 Cb 0.38 0.08 -0.03 0.00 -1.04 0.00 0.00 39.33 38.72 2cr7 h ASP 18 CO 0.08 0.11 -0.32 1.56 -2.04 0.00 0.00 179.24 178.62 2cr7 h GLN 19 N 0.42 -0.56 -0.91 4.15 1.08 -1.61 -2.28 115.11 115.40 2cr7 h GLN 19 Ca 0.37 0.04 0.20 0.00 -1.45 0.00 0.00 58.65 57.81 2cr7 h GLN 19 Cb 0.53 0.13 -0.17 0.00 -0.05 0.00 0.00 27.48 27.91 2cr7 h GLN 19 CO -0.37 -0.37 -0.13 0.28 -0.95 0.00 0.00 178.83 177.28 2cr7 h VAL 20 N -0.58 0.10 0.08 -0.54 2.07 -0.90 0.22 116.25 116.69 2cr7 h VAL 20 Ca 0.02 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2cr7 h VAL 20 Cb 0.59 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2cr7 h VAL 20 CO -0.16 0.00 -0.08 0.50 0.02 0.00 0.00 177.57 177.85 2cr7 h LYS 21 N 0.02 -0.18 0.38 1.57 3.64 -1.27 -2.35 116.57 118.37 2cr7 h LYS 21 Ca 0.48 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.86 2cr7 h LYS 21 Cb 0.82 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 2cr7 h LYS 21 CO -0.90 -0.12 -0.37 0.82 -2.27 0.00 0.00 179.45 176.61 2cr7 h ILE 22 N -0.19 0.00 -0.23 2.00 2.04 -0.13 0.30 117.51 121.30 2cr7 h ILE 22 Ca 0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.89 2cr7 h ILE 22 Cb 0.18 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.23 2cr7 h ILE 22 CO -0.03 0.00 -0.16 -0.09 0.00 0.00 0.00 178.15 177.87 2cr7 h ARG 23 N -0.74 -0.02 -0.75 2.37 9.65 -0.99 0.39 114.38 124.30 2cr7 h ARG 23 Ca -0.05 0.00 0.16 0.00 -1.10 0.00 0.00 59.98 58.99 2cr7 h ARG 23 Cb 0.64 0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 29.17 2cr7 h ARG 23 CO -0.04 -0.02 0.50 0.74 2.80 0.00 0.00 179.97 183.96 2cr7 h PHE 24 N -0.03 0.42 0.00 2.20 0.04 -1.41 -3.45 116.94 114.72 2cr7 h PHE 24 Ca 0.04 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.82 2cr7 h PHE 24 Cb 0.12 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.14 2cr7 h PHE 24 CO -0.89 0.16 0.00 0.41 -0.60 0.00 0.00 178.31 177.39 2cr7 n GLY 25 N -1.54 1.01 2.06 -1.45 0.00 0.14 -1.11 105.19 104.31 2cr7 n GLY 25 Ca 0.14 0.58 -0.24 0.00 0.00 0.00 0.00 46.02 46.51 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 7.99 6.77 -3.84 1.61 2.88 -1.26 -4.70 113.62 123.07 2cr7 n SER 26 Ca 0.00 -3.35 -0.30 0.00 -1.33 0.00 0.00 58.87 53.89 2cr7 n SER 26 Cb 0.00 -1.01 -0.09 0.00 -0.75 0.00 0.00 64.21 62.36 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 -0.20 3.66 0.20 -3.46 8.00 -0.26 -4.89 116.55 119.60 2cr7 n ASP 27 Ca 0.43 -3.26 0.06 0.00 0.71 0.00 0.00 54.79 52.73 2cr7 n ASP 27 Cb 0.66 -0.83 0.41 0.00 -0.02 0.00 0.00 41.12 41.34 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 5.22 0.00 0.43 -0.24 0.13 -1.88 -1.72 132.00 133.95 2cr7 h PRO 28 Ca 0.17 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 2cr7 h PRO 28 Cb 0.74 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 2cr7 h PRO 28 CO 0.81 0.33 -0.33 0.00 -0.23 0.00 0.00 178.00 178.58 2cr7 h ALA 29 N 1.67 -0.77 0.05 -0.56 0.00 -1.99 0.40 119.26 118.05 2cr7 h ALA 29 Ca -0.00 -0.14 -0.25 0.00 0.00 0.00 0.00 54.91 54.52 2cr7 h ALA 29 Cb 0.74 0.44 0.02 0.00 0.00 0.00 0.00 17.79 18.99 2cr7 h ALA 29 CO 0.04 -0.96 -1.01 1.15 0.00 0.00 0.00 179.25 178.47 2cr7 h THR 30 N -0.75 1.32 -0.96 0.00 2.02 -1.99 -3.18 112.91 109.37 2cr7 h THR 30 Ca -0.04 -2.29 0.02 0.00 0.77 0.00 0.00 66.41 64.86 2cr7 h THR 30 Cb 0.65 2.56 -0.05 0.00 -1.74 0.00 0.00 68.15 69.57 2cr7 h THR 30 CO 0.00 0.70 0.63 0.22 0.37 0.00 0.00 175.52 177.44 2cr7 h TYR 31 N 0.22 1.19 0.73 3.16 3.20 -1.29 -2.97 116.97 121.21 2cr7 h TYR 31 Ca -0.14 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.72 2cr7 h TYR 31 Cb 1.69 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 39.57 2cr7 h TYR 31 CO 0.12 0.73 -0.37 -0.91 -1.64 0.00 0.00 178.16 176.08 2cr7 h ASN 32 N 1.26 -0.90 -1.13 -2.11 2.35 -0.26 -2.66 115.58 112.14 2cr7 h ASN 32 Ca 0.36 0.04 0.40 0.00 -0.55 0.00 0.00 56.30 56.55 2cr7 h ASN 32 Cb -0.10 0.24 -0.15 0.00 0.05 0.00 0.00 38.32 38.36 2cr7 h ASN 32 CO -0.09 -0.62 0.67 1.23 -1.65 0.00 0.00 177.43 176.97 2cr7 h GLY 33 N -1.01 1.84 0.96 2.83 0.00 -1.50 0.59 103.07 106.78 2cr7 h GLY 33 Ca -0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 2cr7 h GLY 33 CO 0.15 -0.56 0.21 -2.75 0.00 0.00 0.00 176.54 173.59 2cr7 h PHE 34 N 0.12 0.59 -0.06 5.60 3.57 -1.39 -2.59 116.94 122.78 2cr7 h PHE 34 Ca 0.81 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 62.32 2cr7 h PHE 34 Cb 2.22 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 40.73 2cr7 h PHE 34 CO -0.01 0.47 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.27 2cr7 h LEU 35 N 0.53 -0.60 -0.63 0.59 3.38 0.28 -2.13 115.31 116.73 2cr7 h LEU 35 Ca 0.14 0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.32 2cr7 h LEU 35 Cb 0.09 0.26 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 2cr7 h LEU 35 CO -0.02 -0.26 0.20 -0.33 0.09 0.00 0.00 178.44 178.12 2cr7 h GLU 36 N -0.29 0.34 -0.21 1.13 4.39 -1.38 -0.87 114.58 117.69 2cr7 h GLU 36 Ca 0.08 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.81 2cr7 h GLU 36 Cb 0.40 -0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 28.90 2cr7 h GLU 36 CO -0.22 0.23 -0.25 0.82 -1.16 0.00 0.00 179.01 178.42 2cr7 h ILE 37 N 0.35 0.38 -0.07 3.13 2.04 -1.00 -0.06 117.51 122.29 2cr7 h ILE 37 Ca 0.33 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.16 2cr7 h ILE 37 Cb 0.46 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2cr7 h ILE 37 CO -0.36 0.00 -0.07 0.24 0.00 0.00 0.00 178.15 177.96 2cr7 h MET 38 N -0.27 0.10 0.00 2.37 2.86 -0.91 -0.79 114.93 118.28 2cr7 h MET 38 Ca 0.13 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2cr7 h MET 38 Cb 0.47 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.11 2cr7 h MET 38 CO -0.37 0.18 0.00 -0.22 1.06 0.00 0.00 176.91 177.56 2cr7 h LYS 39 N 0.10 0.00 0.00 1.72 3.64 0.36 -2.87 116.57 119.53 2cr7 h LYS 39 Ca 0.02 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2cr7 h LYS 39 Cb 0.19 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2cr7 h LYS 39 CO 0.01 0.00 -0.05 0.93 -2.27 0.00 0.00 179.45 178.07 2cr7 h GLU 40 N 0.00 0.00 -0.49 1.90 4.39 -0.51 -3.25 114.58 116.62 2cr7 h GLU 40 Ca 0.00 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.83 2cr7 h GLU 40 Cb 0.32 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 2cr7 h GLU 40 CO 0.00 0.55 0.35 0.35 -1.16 0.00 0.00 179.01 179.09 2cr7 h PHE 41 N -1.00 0.10 0.00 4.33 3.04 -1.52 0.34 116.94 122.23 2cr7 h PHE 41 Ca -0.01 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 2cr7 h PHE 41 Cb 0.57 -0.03 -0.00 0.00 2.56 0.00 0.00 35.95 39.04 2cr7 h PHE 41 CO 0.14 0.05 -0.08 0.87 -2.02 0.00 0.00 178.31 177.27 2cr7 h LYS 42 N 0.09 0.00 -0.51 1.11 1.57 -1.61 -2.52 116.57 114.70 2cr7 h LYS 42 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2cr7 h LYS 42 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 2cr7 h LYS 42 CO -0.02 0.08 0.00 0.43 -0.57 0.00 0.00 179.45 179.37 2cr7 n SER 43 N -3.22 4.72 -2.09 0.86 7.64 0.11 -4.92 113.62 116.71 2cr7 n SER 43 Ca 0.00 -2.70 -0.19 0.00 1.01 0.00 0.00 58.87 57.00 2cr7 n SER 43 Cb 0.35 -0.58 -0.01 0.00 -1.01 0.00 0.00 64.21 62.96 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 0.52 -1.49 0.03 1.43 1.13 -0.95 -4.88 117.38 113.17 2cr7 n GLN 44 Ca 0.24 0.93 -0.14 0.00 -1.94 0.00 0.00 57.00 56.09 2cr7 n GLN 44 Cb 0.95 -5.45 -0.14 0.00 0.11 0.00 0.00 30.24 25.71 2cr7 n GLN 44 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2cr7 h SER 45 N 0.00 0.23 -4.00 1.08 0.87 -1.45 -3.48 113.55 106.81 2cr7 h SER 45 Ca -0.44 -0.38 -0.32 0.00 -1.23 0.00 0.00 61.79 59.41 2cr7 h SER 45 Cb 1.32 -0.08 -0.15 0.00 -0.44 0.00 0.00 62.40 63.06 2cr7 h SER 45 CO 0.53 1.33 -0.71 0.27 -0.53 0.00 0.00 176.83 177.71 2cr7 s ILE 46 N -2.61 1.15 0.37 2.23 -4.36 -1.25 -4.93 121.20 111.79 2cr7 s ILE 46 Ca -0.09 -2.04 0.06 0.00 -0.26 0.00 0.00 60.65 58.32 2cr7 s ILE 46 Cb 0.07 -1.83 0.06 0.00 1.25 0.00 0.00 42.46 42.01 2cr7 s ILE 46 CO 0.83 -0.74 0.46 0.47 0.24 0.00 0.00 174.94 176.19 2cr7 n ASP 47 N -0.16 1.52 0.02 4.36 8.00 -1.26 -4.51 116.55 124.51 2cr7 n ASP 47 Ca -0.11 -2.03 -0.14 0.00 0.71 0.00 0.00 54.79 53.23 2cr7 n ASP 47 Cb 0.60 -0.22 -0.08 0.00 -0.02 0.00 0.00 41.12 41.41 2cr7 n ASP 47 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2cr7 h THR 48 N 0.18 0.08 0.00 -3.53 2.02 -2.01 0.67 112.91 110.32 2cr7 h THR 48 Ca -0.18 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.00 2cr7 h THR 48 Cb 0.80 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 2cr7 h THR 48 CO 0.27 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.35 2cr7 n PRO 49 N -5.45 0.02 0.01 6.66 -0.04 -1.26 -3.10 135.00 131.84 2cr7 n PRO 49 Ca -0.05 0.27 -0.18 0.00 -0.04 0.00 0.00 63.50 63.50 2cr7 n PRO 49 Cb 0.38 -1.53 -0.13 0.00 -0.04 0.00 0.00 33.50 32.17 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 2.42 0.27 2.00 0.55 0.00 -1.25 -3.18 103.07 103.87 2cr7 h GLY 50 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.71 2cr7 h GLY 50 CO 0.00 0.55 0.00 1.55 0.00 0.00 0.00 176.54 178.64 2cr7 n VAL 51 N -4.28 1.00 0.06 4.60 3.14 -0.79 -2.33 118.33 119.74 2cr7 n VAL 51 Ca -0.12 0.29 -0.16 0.00 -2.96 0.00 0.00 64.34 61.40 2cr7 n VAL 51 Cb 0.70 -1.15 -0.14 0.00 -1.06 0.00 0.00 33.84 32.18 2cr7 n VAL 51 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 2cr7 h ILE 52 N 0.00 1.20 -0.24 1.55 2.04 -1.61 -3.00 117.51 117.45 2cr7 h ILE 52 Ca 0.00 -2.85 -0.10 0.00 1.00 0.00 0.00 64.86 62.91 2cr7 h ILE 52 Cb 0.26 2.76 -0.01 0.00 -0.74 0.00 0.00 36.82 39.09 2cr7 h ILE 52 CO 0.00 0.82 -0.28 -0.09 0.00 0.00 0.00 178.15 178.59 2cr7 h ARG 53 N 0.06 0.47 0.00 2.37 2.43 -1.44 0.16 114.38 118.42 2cr7 h ARG 53 Ca -0.22 -0.19 -0.12 0.00 -0.81 0.00 0.00 59.98 58.65 2cr7 h ARG 53 Cb 1.99 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 31.51 2cr7 h ARG 53 CO 0.16 0.71 -0.56 0.00 -1.51 0.00 0.00 179.97 178.77 2cr7 h ARG 54 N 0.41 0.00 0.23 0.20 2.47 -1.65 -3.10 114.38 112.93 2cr7 h ARG 54 Ca 0.06 0.00 -0.33 0.00 -1.26 0.00 0.00 59.98 58.45 2cr7 h ARG 54 Cb 0.71 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 29.06 2cr7 h ARG 54 CO 0.05 0.56 -1.49 0.28 0.56 0.00 0.00 179.97 179.93 2cr7 h VAL 55 N 0.00 1.21 -0.12 2.04 2.07 -1.34 -2.48 116.25 117.64 2cr7 h VAL 55 Ca -0.01 -2.63 -0.04 0.00 0.82 0.00 0.00 66.70 64.85 2cr7 h VAL 55 Cb 1.37 2.99 -0.01 0.00 -1.52 0.00 0.00 31.29 34.12 2cr7 h VAL 55 CO 0.07 0.81 -0.09 0.77 0.02 0.00 0.00 177.57 179.15 2cr7 h SER 56 N 0.08 0.16 0.17 0.57 4.64 -1.05 -2.20 113.55 115.92 2cr7 h SER 56 Ca -0.27 -0.03 -0.25 0.00 -0.47 0.00 0.00 61.79 60.77 2cr7 h SER 56 Cb 2.10 -0.04 0.02 0.00 -0.31 0.00 0.00 62.40 64.17 2cr7 h SER 56 CO 0.24 0.29 -1.16 0.06 -0.87 0.00 0.00 176.83 175.38 2cr7 h GLN 57 N 0.17 0.36 -0.10 4.77 3.07 -1.62 -3.23 115.11 118.54 2cr7 h GLN 57 Ca 0.04 -0.62 0.04 0.00 0.09 0.00 0.00 58.65 58.19 2cr7 h GLN 57 Cb 0.28 0.23 -0.04 0.00 0.08 0.00 0.00 27.48 28.03 2cr7 h GLN 57 CO 0.02 1.30 -0.16 1.25 0.09 0.00 0.00 178.83 181.33 2cr7 h LEU 58 N -0.19 -0.48 -3.78 0.06 5.85 -1.23 -1.94 115.31 113.60 2cr7 h LEU 58 Ca -0.22 0.08 -0.46 0.00 0.84 0.00 0.00 57.88 58.13 2cr7 h LEU 58 Cb 1.84 0.22 -0.19 0.00 0.37 0.00 0.00 40.66 42.90 2cr7 h LEU 58 CO 0.17 -0.21 0.57 0.49 -0.34 0.00 0.00 178.44 179.12 2cr7 n PHE 59 N -5.30 2.07 -0.18 1.25 3.72 -0.85 -4.57 117.46 113.60 2cr7 n PHE 59 Ca -0.03 -2.28 0.05 0.00 -0.05 0.00 0.00 57.45 55.13 2cr7 n PHE 59 Cb 0.22 -1.15 0.33 0.00 -0.94 0.00 0.00 39.48 37.93 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 1.83 0.80 0.00 1.38 2.07 -1.36 0.14 115.15 120.01 2cr7 h HIS 60 Ca 0.40 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.94 2cr7 h HIS 60 Cb 0.83 -0.27 0.00 0.00 2.57 0.00 0.00 27.41 30.55 2cr7 h HIS 60 CO 1.06 0.45 0.00 0.39 -3.07 0.00 0.00 177.93 176.76 2cr7 n GLU 61 N -4.47 0.25 -3.76 5.12 -0.58 -1.26 -4.32 120.64 111.62 2cr7 n GLU 61 Ca 0.10 0.03 -0.29 0.00 -0.42 0.00 0.00 57.16 56.58 2cr7 n GLU 61 Cb 0.17 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 29.41 2cr7 n GLU 61 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2cr7 s HIS 62 N -2.73 2.34 0.28 -0.32 3.76 0.48 -4.95 115.29 114.15 2cr7 s HIS 62 Ca 0.21 -2.67 0.06 0.00 -0.15 0.00 0.00 55.06 52.51 2cr7 s HIS 62 Cb 0.18 -2.10 0.39 0.00 1.11 0.00 0.00 32.58 32.15 2cr7 s HIS 62 CO 0.44 -0.75 1.66 -1.00 -0.85 0.00 0.00 174.74 174.24 2cr7 h PRO 63 N 6.47 0.26 -0.81 8.40 0.13 -1.75 -2.80 132.00 141.89 2cr7 h PRO 63 Ca 0.01 -0.14 -0.05 0.00 -0.87 0.00 0.00 66.00 64.96 2cr7 h PRO 63 Cb 0.90 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.00 2cr7 h PRO 63 CO 0.54 0.67 0.33 -0.44 -0.23 0.00 0.00 178.00 178.87 2cr7 h ASP 64 N 0.21 1.11 -0.28 1.44 3.32 -1.92 -1.88 116.42 118.41 2cr7 h ASP 64 Ca 0.01 -0.17 -0.14 0.00 0.02 0.00 0.00 57.03 56.75 2cr7 h ASP 64 Cb 0.89 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 2cr7 h ASP 64 CO 0.07 0.97 -0.37 -0.07 -1.72 0.00 0.00 179.24 178.12 2cr7 h LEU 65 N 1.17 0.82 0.35 1.55 3.38 -1.89 -1.84 115.31 118.85 2cr7 h LEU 65 Ca 0.27 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 2cr7 h LEU 65 Cb 0.21 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2cr7 h LEU 65 CO -0.02 1.16 -0.24 0.40 0.09 0.00 0.00 178.44 179.82 2cr7 h ILE 66 N 0.51 0.49 -0.33 1.22 2.04 -1.29 -0.49 117.51 119.66 2cr7 h ILE 66 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 2cr7 h ILE 66 Cb 0.96 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 2cr7 h ILE 66 CO 0.09 0.00 0.21 0.58 0.00 0.00 0.00 178.15 179.03 2cr7 h VAL 67 N -0.58 1.09 -0.30 1.67 2.07 -1.41 -2.30 116.25 116.50 2cr7 h VAL 67 Ca -0.03 -0.19 0.04 0.00 0.82 0.00 0.00 66.70 67.34 2cr7 h VAL 67 Cb 0.49 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 2cr7 h VAL 67 CO 0.01 0.09 0.20 1.23 0.02 0.00 0.00 177.57 179.13 2cr7 h GLY 68 N 0.44 0.27 0.81 2.17 0.00 -1.17 -0.54 103.07 105.05 2cr7 h GLY 68 Ca 0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 2cr7 h GLY 68 CO -0.02 0.08 -0.36 -2.75 0.00 0.00 0.00 176.54 173.49 2cr7 h PHE 69 N 0.24 -0.92 0.18 5.60 3.04 -0.51 -0.40 116.94 124.16 2cr7 h PHE 69 Ca 0.13 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.05 2cr7 h PHE 69 Cb 0.21 0.31 0.00 0.00 2.56 0.00 0.00 35.95 39.03 2cr7 h PHE 69 CO -0.00 -0.56 -0.09 -2.95 -2.02 0.00 0.00 178.31 172.70 2cr7 h ASN 70 N -1.20 -0.20 -0.12 0.41 7.08 -1.32 0.19 115.58 120.42 2cr7 h ASN 70 Ca -0.10 -0.00 0.05 0.00 -3.08 0.00 0.00 56.30 53.16 2cr7 h ASN 70 Cb 0.78 0.05 -0.06 0.00 -2.08 0.00 0.00 38.32 37.01 2cr7 h ASN 70 CO 0.17 -0.14 -0.31 0.00 -2.08 0.00 0.00 177.43 175.07 2cr7 h ALA 71 N 0.57 -0.35 -0.65 4.14 0.00 -1.17 -2.11 119.26 119.70 2cr7 h ALA 71 Ca -0.02 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2cr7 h ALA 71 Cb 0.19 0.58 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2cr7 h ALA 71 CO 0.04 -0.78 0.36 0.35 0.00 0.00 0.00 179.25 179.21 2cr7 h PHE 72 N -0.39 0.90 -0.81 0.00 3.57 -0.97 -3.44 116.94 115.79 2cr7 h PHE 72 Ca 0.09 -0.02 -0.68 0.00 3.53 0.00 0.00 57.97 60.90 2cr7 h PHE 72 Cb 0.53 -0.29 0.03 0.00 2.79 0.00 0.00 35.95 39.01 2cr7 h PHE 72 CO -0.39 0.64 0.28 -0.11 -2.23 0.00 0.00 178.31 176.50 2cr7 n LEU 73 N -4.53 0.44 -4.63 0.59 -0.00 0.65 -4.78 117.00 104.75 2cr7 n LEU 73 Ca 0.05 0.96 -0.43 0.00 -0.00 0.00 0.00 56.01 56.59 2cr7 n LEU 73 Cb 0.09 -0.73 -0.03 0.00 -0.00 0.00 0.00 43.42 42.75 2cr7 n LEU 73 CO 0.37 -1.16 1.36 -2.16 -0.00 0.00 0.00 177.39 175.80 2cr7 s PRO 74 N 1.10 3.80 0.22 1.96 0.04 -1.26 -4.90 135.00 135.97 2cr7 s PRO 74 Ca 0.79 1.66 -0.08 0.00 0.04 0.00 0.00 61.00 63.42 2cr7 s PRO 74 Cb -1.12 -4.03 0.36 0.00 0.04 0.00 0.00 34.50 29.75 2cr7 s PRO 74 CO 0.56 -1.28 1.71 1.03 0.04 0.00 0.00 177.00 179.05 2cr7 h SER 75 N 10.67 0.06 0.00 6.66 0.87 -1.92 -3.48 113.55 126.41 2cr7 h SER 75 Ca -0.34 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 2cr7 h SER 75 Cb 1.15 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 2cr7 h SER 75 CO 1.00 0.02 0.00 0.61 -0.53 0.00 0.00 176.83 177.93 2cr7 n GLY 76 N -1.33 -1.36 0.00 5.77 0.00 -1.26 -4.03 105.19 102.98 2cr7 n GLY 76 Ca 0.11 -1.59 0.06 0.00 0.00 0.00 0.00 46.02 44.60 2cr7 n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cr7 n PRO 77 N 0.00 0.49 -2.59 1.61 -0.04 -1.26 -4.78 135.00 128.43 2cr7 n PRO 77 Ca 0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 2cr7 n PRO 77 Cb 0.00 -1.36 -0.05 0.00 -0.04 0.00 0.00 33.50 32.05 2cr7 n PRO 77 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2cr7 s SER 78 N -1.86 7.05 0.42 3.54 0.01 -1.26 -5.05 113.70 116.56 2cr7 s SER 78 Ca 0.17 2.05 -0.02 0.00 1.31 0.00 0.00 55.95 59.46 2cr7 s SER 78 Cb 0.08 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.68 2cr7 s SER 78 CO 0.13 -0.28 0.67 -0.94 0.41 0.00 0.00 173.24 173.23 2cr7 s SER 79 N -1.38 6.18 0.00 2.44 1.04 -1.26 -5.02 113.70 115.70 2cr7 s SER 79 Ca 0.52 0.62 0.00 0.00 0.48 0.00 0.00 55.95 57.57 2cr7 s SER 79 Cb -0.24 -2.02 0.00 0.00 0.10 0.00 0.00 66.02 63.86 2cr7 s SER 79 CO 0.30 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.64