#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr7 s SER 2 N 0.00 4.52 -0.07 1.61 0.01 -1.26 -5.11 113.70 113.40 2cr7 s SER 2 Ca 0.00 -0.21 0.04 0.00 1.31 0.00 0.00 55.95 57.09 2cr7 s SER 2 Cb 0.00 -0.27 -0.00 0.00 0.21 0.00 0.00 66.02 65.96 2cr7 s SER 2 CO 0.00 -1.73 -0.21 -0.44 0.41 0.00 0.00 173.24 171.27 2cr7 s SER 3 N -4.66 2.65 -0.36 2.44 0.01 -1.26 -5.10 113.70 107.42 2cr7 s SER 3 Ca 0.64 -0.46 0.02 0.00 1.31 0.00 0.00 55.95 57.47 2cr7 s SER 3 Cb -0.07 -0.99 0.11 0.00 0.21 0.00 0.00 66.02 65.28 2cr7 s SER 3 CO 0.43 0.16 0.10 -0.83 0.41 0.00 0.00 173.24 173.52 2cr7 s GLY 4 N 0.21 1.67 -0.24 3.44 0.00 -1.26 -4.93 107.32 106.19 2cr7 s GLY 4 Ca -0.11 -2.32 -0.06 0.00 0.00 0.00 0.00 44.72 42.23 2cr7 s GLY 4 CO 0.05 1.24 -0.27 -1.14 0.00 0.00 0.00 173.10 172.97 2cr7 n SER 5 N 4.28 1.95 -4.39 1.64 3.41 -1.26 -4.99 113.62 114.26 2cr7 n SER 5 Ca 0.03 0.11 -0.38 0.00 -0.26 0.00 0.00 58.87 58.37 2cr7 n SER 5 Cb 0.40 -0.58 -0.07 0.00 -0.26 0.00 0.00 64.21 63.71 2cr7 n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2cr7 n SER 6 N -3.71 -1.70 0.00 4.04 7.64 -1.26 -4.77 113.62 113.86 2cr7 n SER 6 Ca -0.46 -1.18 0.00 0.00 1.01 0.00 0.00 58.87 58.24 2cr7 n SER 6 Cb 0.89 -2.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.09 2cr7 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cr7 n GLY 7 N -1.45 0.00 3.15 0.23 0.00 -1.26 -4.97 105.19 100.89 2cr7 n GLY 7 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 2cr7 n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cr7 s VAL 8 N -1.96 3.58 -0.21 1.61 1.01 -1.26 -4.92 120.40 118.26 2cr7 s VAL 8 Ca 0.00 -1.93 -0.16 0.00 0.00 0.00 0.00 61.98 59.89 2cr7 s VAL 8 Cb 0.00 -3.40 -0.08 0.00 0.00 0.00 0.00 36.38 32.90 2cr7 s VAL 8 CO 0.00 -0.69 -0.34 1.41 0.00 0.00 0.00 175.10 175.48 2cr7 n HIS 9 N 4.70 0.00 -3.56 5.22 8.25 -1.26 -5.01 115.22 123.56 2cr7 n HIS 9 Ca -0.04 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.14 2cr7 n HIS 9 Cb 0.41 -0.66 -0.03 0.00 1.12 0.00 0.00 29.99 30.83 2cr7 n HIS 9 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2cr7 s VAL 10 N -2.71 5.13 -0.96 1.59 0.11 -1.26 -4.99 120.40 117.31 2cr7 s VAL 10 Ca -0.31 -0.19 -0.24 0.00 -2.93 0.00 0.00 61.98 58.31 2cr7 s VAL 10 Cb 0.08 -3.73 -0.07 0.00 -1.53 0.00 0.00 36.38 31.13 2cr7 s VAL 10 CO 0.43 -0.22 2.00 -1.61 -3.33 0.00 0.00 175.10 172.37 2cr7 s GLU 11 N -3.38 2.38 0.14 1.54 8.01 -1.26 -4.90 118.70 121.23 2cr7 s GLU 11 Ca 0.41 -0.40 0.07 0.00 0.01 0.00 0.00 54.97 55.05 2cr7 s GLU 11 Cb -0.11 -5.07 -0.04 0.00 -4.31 0.00 0.00 34.13 24.60 2cr7 s GLU 11 CO 0.29 -3.72 -0.15 0.34 0.01 0.00 0.00 175.26 172.03 2cr7 s ASP 12 N 8.04 2.20 0.00 -0.19 2.15 -1.26 -5.09 116.67 122.52 2cr7 s ASP 12 Ca 0.73 -0.86 0.00 0.00 0.43 0.00 0.00 52.55 52.84 2cr7 s ASP 12 Cb -0.06 -0.09 0.00 0.00 -0.30 0.00 0.00 42.92 42.47 2cr7 s ASP 12 CO 0.04 -0.14 0.00 0.00 -0.17 0.00 0.00 175.17 174.90 2cr7 n ALA 13 N 0.31 1.30 0.05 3.66 0.00 -1.26 -4.61 120.51 119.95 2cr7 n ALA 13 Ca -0.14 -0.11 0.18 0.00 0.00 0.00 0.00 53.44 53.37 2cr7 n ALA 13 Cb 0.58 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.46 2cr7 n ALA 13 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2cr7 h LEU 14 N 0.00 0.00 -1.88 0.00 -0.00 -1.99 0.11 115.31 111.56 2cr7 h LEU 14 Ca 0.00 0.00 0.37 0.00 -0.00 0.00 0.00 57.88 58.25 2cr7 h LEU 14 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.60 2cr7 h LEU 14 CO 0.00 0.00 0.91 0.00 -0.00 0.00 0.00 178.44 179.35 2cr7 h THR 15 N 0.00 0.34 0.05 0.15 1.03 -1.97 0.14 112.91 112.66 2cr7 h THR 15 Ca 0.25 -0.02 -0.29 0.00 -0.01 0.00 0.00 66.41 66.35 2cr7 h THR 15 Cb 2.07 0.28 -0.03 0.00 -1.07 0.00 0.00 68.15 69.41 2cr7 h THR 15 CO -0.00 0.01 -1.56 0.00 -0.01 0.00 0.00 175.52 173.96 2cr7 n TYR 16 N -4.24 1.12 -0.18 0.00 4.19 0.40 -3.80 117.16 114.65 2cr7 n TYR 16 Ca 0.29 0.37 -0.01 0.00 3.31 0.00 0.00 57.90 61.86 2cr7 n TYR 16 Cb 1.32 -1.13 0.09 0.00 0.49 0.00 0.00 39.34 40.11 2cr7 n TYR 16 CO 0.00 0.00 0.00 1.25 0.91 0.00 0.00 176.86 179.02 2cr7 h LEU 17 N -0.58 0.04 0.40 2.98 7.12 -1.19 -2.47 115.31 121.59 2cr7 h LEU 17 Ca -0.38 0.09 -0.01 0.00 0.13 0.00 0.00 57.88 57.72 2cr7 h LEU 17 Cb 1.60 0.12 -0.02 0.00 -0.53 0.00 0.00 40.66 41.83 2cr7 h LEU 17 CO -0.09 0.04 -0.38 -0.78 -0.13 0.00 0.00 178.44 177.09 2cr7 h ASP 18 N 0.27 -1.03 -0.87 1.25 1.82 -0.99 -2.28 116.42 114.59 2cr7 h ASP 18 Ca 0.28 0.09 0.16 0.00 -0.39 0.00 0.00 57.03 57.16 2cr7 h ASP 18 Cb 0.39 0.34 -0.16 0.00 0.68 0.00 0.00 39.33 40.58 2cr7 h ASP 18 CO -0.35 -0.53 -0.30 1.56 -1.61 0.00 0.00 179.24 178.01 2cr7 h GLN 19 N -0.79 -0.03 -0.60 0.28 1.08 -1.55 0.41 115.11 113.91 2cr7 h GLN 19 Ca -0.03 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.24 2cr7 h GLN 19 Cb 0.71 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 28.08 2cr7 h GLN 19 CO -0.06 -0.02 0.28 0.28 -0.95 0.00 0.00 178.83 178.37 2cr7 h VAL 20 N -0.03 0.88 0.31 -0.54 2.07 -1.17 -0.58 116.25 117.19 2cr7 h VAL 20 Ca 0.37 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 2cr7 h VAL 20 Cb 0.62 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 2cr7 h VAL 20 CO -0.90 0.09 -0.18 0.50 0.02 0.00 0.00 177.57 177.10 2cr7 h LYS 21 N 0.52 -0.46 0.27 1.57 3.64 0.30 -1.47 116.57 120.94 2cr7 h LYS 21 Ca 0.28 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.69 2cr7 h LYS 21 Cb 0.26 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2cr7 h LYS 21 CO -0.23 -0.30 -0.22 0.82 -2.27 0.00 0.00 179.45 177.24 2cr7 h ILE 22 N -0.47 0.00 -0.47 2.00 2.04 -0.68 -0.97 117.51 118.95 2cr7 h ILE 22 Ca -0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.87 2cr7 h ILE 22 Cb 0.39 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.40 2cr7 h ILE 22 CO 0.04 0.00 -0.37 -0.09 0.00 0.00 0.00 178.15 177.74 2cr7 h ARG 23 N -0.48 -0.11 -1.88 2.37 1.12 -1.16 0.95 114.38 115.20 2cr7 h ARG 23 Ca -0.03 0.01 -0.35 0.00 -1.11 0.00 0.00 59.98 58.49 2cr7 h ARG 23 Cb 0.40 0.02 -0.13 0.00 -0.01 0.00 0.00 29.97 30.26 2cr7 h ARG 23 CO -0.00 -0.07 0.20 1.19 -3.11 0.00 0.00 179.97 178.17 2cr7 n PHE 24 N -4.42 1.11 0.12 2.20 3.72 -0.55 -4.57 117.46 115.07 2cr7 n PHE 24 Ca -0.00 -1.78 -0.13 0.00 -0.05 0.00 0.00 57.45 55.49 2cr7 n PHE 24 Cb 0.19 -1.26 -0.08 0.00 -0.94 0.00 0.00 39.48 37.39 2cr7 n PHE 24 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2cr7 h GLY 25 N 3.75 -0.30 -3.85 1.37 0.00 0.63 -3.14 103.07 101.51 2cr7 h GLY 25 Ca 0.29 0.11 -0.54 0.00 0.00 0.00 0.00 47.33 47.20 2cr7 h GLY 25 CO 0.64 -0.11 0.69 -1.26 0.00 0.00 0.00 176.54 176.50 2cr7 n SER 26 N -5.10 5.37 -3.56 0.19 2.88 -1.26 -4.68 113.62 107.46 2cr7 n SER 26 Ca -0.09 -3.55 -0.28 0.00 -1.33 0.00 0.00 58.87 53.62 2cr7 n SER 26 Cb 0.22 -0.89 -0.11 0.00 -0.75 0.00 0.00 64.21 62.68 2cr7 n SER 26 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2cr7 s ASP 27 N -1.26 2.61 0.43 -3.46 1.11 -1.19 -4.95 116.67 109.98 2cr7 s ASP 27 Ca 0.55 -3.23 0.22 0.00 0.18 0.00 0.00 52.55 50.27 2cr7 s ASP 27 Cb 0.45 -0.82 0.96 0.00 1.07 0.00 0.00 42.92 44.58 2cr7 s ASP 27 CO 0.05 -0.16 1.86 1.55 1.18 0.00 0.00 175.17 179.65 2cr7 h PRO 28 N 5.70 0.00 -0.54 8.23 0.13 -1.83 -1.68 132.00 142.00 2cr7 h PRO 28 Ca 0.21 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.29 2cr7 h PRO 28 Cb 0.87 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.98 2cr7 h PRO 28 CO 0.47 0.26 0.15 0.00 -0.23 0.00 0.00 178.00 178.65 2cr7 h ALA 29 N 1.74 0.71 0.13 -0.56 0.00 -1.96 -0.34 119.26 118.98 2cr7 h ALA 29 Ca -0.00 -0.21 -0.23 0.00 0.00 0.00 0.00 54.91 54.47 2cr7 h ALA 29 Cb 0.69 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.28 2cr7 h ALA 29 CO 0.03 0.40 -1.10 1.15 0.00 0.00 0.00 179.25 179.72 2cr7 h THR 30 N 0.76 1.28 -0.93 0.00 2.02 -1.94 -3.26 112.91 110.84 2cr7 h THR 30 Ca 0.17 -2.47 0.04 0.00 0.77 0.00 0.00 66.41 64.92 2cr7 h THR 30 Cb 0.31 2.96 -0.06 0.00 -1.74 0.00 0.00 68.15 69.63 2cr7 h THR 30 CO -0.00 0.71 0.60 0.22 0.37 0.00 0.00 175.52 177.42 2cr7 h TYR 31 N -0.34 1.12 0.26 3.16 3.20 -1.34 -2.73 116.97 120.31 2cr7 h TYR 31 Ca -0.22 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.67 2cr7 h TYR 31 Cb 1.70 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 39.59 2cr7 h TYR 31 CO 0.16 0.63 -0.18 -0.91 -1.64 0.00 0.00 178.16 176.22 2cr7 h ASN 32 N 1.15 -0.44 -1.10 -2.11 2.35 -1.18 -2.36 115.58 111.89 2cr7 h ASN 32 Ca 0.38 0.03 0.31 0.00 -0.55 0.00 0.00 56.30 56.47 2cr7 h ASN 32 Cb 0.05 0.14 -0.11 0.00 0.05 0.00 0.00 38.32 38.45 2cr7 h ASN 32 CO -0.14 -0.28 0.69 1.23 -1.65 0.00 0.00 177.43 177.29 2cr7 h GLY 33 N -0.43 1.42 0.60 2.83 0.00 -1.53 -0.57 103.07 105.38 2cr7 h GLY 33 Ca -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 2cr7 h GLY 33 CO 0.01 -0.26 -0.18 -2.75 0.00 0.00 0.00 176.54 173.37 2cr7 h PHE 34 N 0.33 -0.46 -0.94 5.60 3.57 -1.33 -2.76 116.94 120.95 2cr7 h PHE 34 Ca 0.67 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 62.34 2cr7 h PHE 34 Cb 1.76 0.15 -0.11 0.00 2.79 0.00 0.00 35.95 40.55 2cr7 h PHE 34 CO -0.00 -0.13 0.53 -0.07 -2.23 0.00 0.00 178.31 176.40 2cr7 h LEU 35 N -0.91 0.64 0.08 0.59 3.38 -0.79 -1.13 115.31 117.16 2cr7 h LEU 35 Ca -0.05 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2cr7 h LEU 35 Cb 0.54 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2cr7 h LEU 35 CO 0.08 0.22 -0.09 -0.33 0.09 0.00 0.00 178.44 178.41 2cr7 h GLU 36 N 0.66 -0.18 -0.86 1.13 5.08 -1.15 -2.33 114.58 116.93 2cr7 h GLU 36 Ca 0.54 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 59.00 2cr7 h GLU 36 Cb 0.86 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.09 2cr7 h GLU 36 CO -0.40 -0.12 0.56 0.82 -1.00 0.00 0.00 179.01 178.87 2cr7 h ILE 37 N -0.19 0.99 0.25 3.13 2.04 -0.93 -2.48 117.51 120.31 2cr7 h ILE 37 Ca 0.01 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 2cr7 h ILE 37 Cb 0.19 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 2cr7 h ILE 37 CO -0.03 0.16 -0.20 0.24 0.00 0.00 0.00 178.15 178.31 2cr7 h MET 38 N 0.87 -0.45 -0.97 2.37 2.86 -0.81 -2.82 114.93 115.98 2cr7 h MET 38 Ca 0.39 0.03 0.18 0.00 -2.06 0.00 0.00 59.70 58.24 2cr7 h MET 38 Cb 0.36 0.10 -0.17 0.00 0.06 0.00 0.00 31.60 31.95 2cr7 h MET 38 CO -0.16 -0.30 -0.29 0.87 1.06 0.00 0.00 176.91 178.09 2cr7 h LYS 39 N -0.47 -0.01 -0.59 1.72 1.57 -1.02 0.57 116.57 118.35 2cr7 h LYS 39 Ca -0.01 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 2cr7 h LYS 39 Cb 0.42 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.63 2cr7 h LYS 39 CO -0.02 -0.00 -0.55 0.93 -0.57 0.00 0.00 179.45 179.24 2cr7 h GLU 40 N -0.01 -0.26 -0.96 3.15 4.39 -1.50 0.23 114.58 119.61 2cr7 h GLU 40 Ca 0.42 0.02 0.08 0.00 0.34 0.00 0.00 59.36 60.22 2cr7 h GLU 40 Cb 0.67 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.31 2cr7 h GLU 40 CO -0.99 -0.18 0.62 0.35 -1.16 0.00 0.00 179.01 177.66 2cr7 h PHE 41 N -0.27 1.12 -0.41 4.33 3.57 -0.97 -0.42 116.94 123.90 2cr7 h PHE 41 Ca 0.11 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 2cr7 h PHE 41 Cb 0.55 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 2cr7 h PHE 41 CO -0.80 0.55 0.22 -0.22 -2.23 0.00 0.00 178.31 175.83 2cr7 h LYS 42 N 1.07 0.55 -0.91 1.11 3.64 0.46 -1.15 116.57 121.33 2cr7 h LYS 42 Ca 0.43 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.57 2cr7 h LYS 42 Cb 0.26 -0.12 -0.11 0.00 -0.41 0.00 0.00 32.23 31.86 2cr7 h LYS 42 CO -0.18 0.41 0.24 0.43 -2.27 0.00 0.00 179.45 178.07 2cr7 n SER 43 N -4.43 3.55 -2.60 4.20 7.64 0.24 -4.86 113.62 117.36 2cr7 n SER 43 Ca 0.03 -2.78 -0.09 0.00 1.01 0.00 0.00 58.87 57.04 2cr7 n SER 43 Cb 0.10 -0.66 -0.01 0.00 -1.01 0.00 0.00 64.21 62.63 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 -0.15 -2.61 -0.08 1.43 6.02 -0.44 -4.81 117.38 116.75 2cr7 n GLN 44 Ca 0.28 0.34 -0.13 0.00 -0.01 0.00 0.00 57.00 57.47 2cr7 n GLN 44 Cb 1.04 -4.91 -0.10 0.00 1.02 0.00 0.00 30.24 27.29 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 -0.11 0.00 -0.66 1.08 0.02 -1.39 -3.48 113.55 109.00 2cr7 h SER 45 Ca -0.20 -0.64 -0.53 0.00 -0.84 0.00 0.00 61.79 59.59 2cr7 h SER 45 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 2cr7 h SER 45 CO 0.24 1.03 -0.16 0.27 -1.14 0.00 0.00 176.83 177.07 2cr7 s ILE 46 N -2.16 1.91 0.52 3.27 -4.36 -1.24 -4.98 121.20 114.17 2cr7 s ILE 46 Ca -0.18 -1.17 0.01 0.00 -0.26 0.00 0.00 60.65 59.05 2cr7 s ILE 46 Cb 0.00 -2.08 -0.00 0.00 1.25 0.00 0.00 42.46 41.63 2cr7 s ILE 46 CO 0.52 0.00 0.03 -1.81 0.24 0.00 0.00 174.94 173.92 2cr7 s ASP 47 N -4.55 4.19 0.13 4.36 1.01 -1.26 -4.70 116.67 115.84 2cr7 s ASP 47 Ca 0.52 -1.65 -0.32 0.00 0.71 0.00 0.00 52.55 51.82 2cr7 s ASP 47 Cb -0.04 0.59 -0.09 0.00 1.01 0.00 0.00 42.92 44.38 2cr7 s ASP 47 CO 0.33 -0.90 1.56 0.74 0.21 0.00 0.00 175.17 177.10 2cr7 h THR 48 N 1.27 0.04 0.00 -1.27 2.02 -2.00 0.32 112.91 113.28 2cr7 h THR 48 Ca -0.43 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.75 2cr7 h THR 48 Cb 1.32 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 2cr7 h THR 48 CO 0.72 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.80 2cr7 n PRO 49 N -5.42 0.35 0.03 6.66 -0.04 -1.26 -2.69 135.00 132.63 2cr7 n PRO 49 Ca -0.04 0.07 -0.15 0.00 -0.04 0.00 0.00 63.50 63.34 2cr7 n PRO 49 Cb 0.36 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.18 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 2.44 0.18 2.00 0.55 0.00 -0.76 -3.31 103.07 104.18 2cr7 h GLY 50 Ca 0.00 -0.47 -0.17 0.00 0.00 0.00 0.00 47.33 46.68 2cr7 h GLY 50 CO 0.00 0.41 -0.82 -0.24 0.00 0.00 0.00 176.54 175.89 2cr7 h VAL 51 N 0.04 1.52 0.01 4.60 3.04 -1.22 -3.24 116.25 121.00 2cr7 h VAL 51 Ca -0.28 -2.89 -0.00 0.00 -1.01 0.00 0.00 66.70 62.52 2cr7 h VAL 51 Cb 2.00 2.59 0.00 0.00 -2.01 0.00 0.00 31.29 33.87 2cr7 h VAL 51 CO 0.12 0.81 -0.01 0.40 -1.01 0.00 0.00 177.57 177.88 2cr7 h ILE 52 N 0.00 1.15 -0.81 3.17 2.04 -1.70 -1.25 117.51 120.12 2cr7 h ILE 52 Ca -0.01 -0.48 0.08 0.00 1.00 0.00 0.00 64.86 65.46 2cr7 h ILE 52 Cb 1.52 1.47 -0.05 0.00 -0.74 0.00 0.00 36.82 39.02 2cr7 h ILE 52 CO 0.11 0.12 0.53 -0.09 0.00 0.00 0.00 178.15 178.82 2cr7 h ARG 53 N -0.22 0.78 0.55 2.37 2.43 -1.65 0.26 114.38 118.90 2cr7 h ARG 53 Ca -0.00 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 2cr7 h ARG 53 Cb 0.21 -0.18 0.01 0.00 -0.42 0.00 0.00 29.97 29.59 2cr7 h ARG 53 CO 0.00 0.51 -0.26 0.00 -1.51 0.00 0.00 179.97 178.71 2cr7 h ARG 54 N 0.80 -0.71 -0.12 0.20 2.47 -1.53 -3.16 114.38 112.32 2cr7 h ARG 54 Ca 0.36 0.05 0.04 0.00 -1.26 0.00 0.00 59.98 59.17 2cr7 h ARG 54 Cb 0.36 0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 28.83 2cr7 h ARG 54 CO -0.14 -0.44 0.09 -0.24 0.56 0.00 0.00 179.97 179.81 2cr7 h VAL 55 N -1.15 0.87 -0.44 2.04 3.04 -1.02 -2.14 116.25 117.43 2cr7 h VAL 55 Ca -0.08 0.00 0.06 0.00 -1.01 0.00 0.00 66.70 65.67 2cr7 h VAL 55 Cb 0.60 0.93 -0.05 0.00 -2.01 0.00 0.00 31.29 30.76 2cr7 h VAL 55 CO 0.12 0.00 0.16 -1.28 -1.01 0.00 0.00 177.57 175.57 2cr7 h SER 56 N 0.00 0.17 0.39 3.17 0.87 -0.45 -1.46 113.55 116.24 2cr7 h SER 56 Ca 0.06 0.05 -0.14 0.00 -1.23 0.00 0.00 61.79 60.52 2cr7 h SER 56 Cb 0.25 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 2cr7 h SER 56 CO -0.00 0.13 -0.61 1.56 -0.53 0.00 0.00 176.83 177.38 2cr7 h GLN 57 N 0.33 0.22 0.43 2.24 1.08 -1.37 -2.75 115.11 115.29 2cr7 h GLN 57 Ca 0.21 -0.15 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 2cr7 h GLN 57 Cb 0.20 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.65 2cr7 h GLN 57 CO -0.21 0.76 -0.26 1.25 -0.95 0.00 0.00 178.83 179.42 2cr7 h LEU 58 N 0.16 -0.65 -3.53 1.46 5.85 -1.03 -2.61 115.31 114.96 2cr7 h LEU 58 Ca -0.01 0.04 -0.41 0.00 0.84 0.00 0.00 57.88 58.34 2cr7 h LEU 58 Cb 1.11 0.19 -0.22 0.00 0.37 0.00 0.00 40.66 42.11 2cr7 h LEU 58 CO 0.09 -0.42 0.53 0.49 -0.34 0.00 0.00 178.44 178.79 2cr7 n PHE 59 N -5.39 2.24 -0.32 1.25 3.72 -0.63 -4.60 117.46 113.73 2cr7 n PHE 59 Ca -0.11 -1.81 0.14 0.00 -0.05 0.00 0.00 57.45 55.63 2cr7 n PHE 59 Cb 0.30 -0.90 0.33 0.00 -0.94 0.00 0.00 39.48 38.26 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 1.06 0.76 0.00 1.38 2.07 -1.15 0.99 115.15 120.26 2cr7 h HIS 60 Ca 0.45 0.04 -0.01 0.00 -2.85 0.00 0.00 60.37 58.00 2cr7 h HIS 60 Cb 1.83 -0.19 -0.00 0.00 2.57 0.00 0.00 27.41 31.62 2cr7 h HIS 60 CO 1.13 -0.01 -0.03 0.93 -3.07 0.00 0.00 177.93 176.88 2cr7 h GLU 61 N 0.46 0.00 -3.29 5.12 5.08 -1.85 -3.36 114.58 116.74 2cr7 h GLU 61 Ca 0.58 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 58.29 2cr7 h GLU 61 Cb 1.09 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.94 2cr7 h GLU 61 CO -0.51 0.03 -0.53 -1.01 -1.00 0.00 0.00 179.01 175.99 2cr7 s HIS 62 N -3.61 3.42 0.16 4.33 3.76 0.34 -4.91 115.29 118.77 2cr7 s HIS 62 Ca 0.02 -3.17 0.31 0.00 -0.15 0.00 0.00 55.06 52.07 2cr7 s HIS 62 Cb 0.09 -2.87 1.30 0.00 1.11 0.00 0.00 32.58 32.21 2cr7 s HIS 62 CO 0.57 -0.68 1.97 -1.00 -0.85 0.00 0.00 174.74 174.75 2cr7 h PRO 63 N 6.10 0.00 -0.62 8.40 0.13 -1.71 -2.99 132.00 141.31 2cr7 h PRO 63 Ca 0.03 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.09 2cr7 h PRO 63 Cb 0.84 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.94 2cr7 h PRO 63 CO 0.72 0.07 0.10 -0.44 -0.23 0.00 0.00 178.00 178.21 2cr7 h ASP 64 N 0.00 0.97 -0.11 1.44 5.19 -1.91 -2.40 116.42 119.61 2cr7 h ASP 64 Ca -0.00 -0.22 -0.22 0.00 -0.62 0.00 0.00 57.03 55.97 2cr7 h ASP 64 Cb 0.54 -0.26 0.01 0.00 0.18 0.00 0.00 39.33 39.81 2cr7 h ASP 64 CO 0.01 0.97 -0.78 -0.07 -3.12 0.00 0.00 179.24 176.24 2cr7 h LEU 65 N 0.95 0.87 -0.63 1.55 3.38 -1.88 -2.33 115.31 117.22 2cr7 h LEU 65 Ca 0.19 -0.66 0.06 0.00 0.09 0.00 0.00 57.88 57.56 2cr7 h LEU 65 Cb 0.42 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 2cr7 h LEU 65 CO 0.01 1.40 0.33 0.40 0.09 0.00 0.00 178.44 180.67 2cr7 h ILE 66 N 0.41 0.93 -0.08 1.22 2.04 -1.48 -2.35 117.51 118.19 2cr7 h ILE 66 Ca -0.07 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 2cr7 h ILE 66 Cb 1.43 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 2cr7 h ILE 66 CO 0.16 0.11 -0.09 0.58 0.00 0.00 0.00 178.15 178.91 2cr7 h VAL 67 N 0.60 1.37 -1.02 1.67 2.07 -1.47 -3.18 116.25 116.29 2cr7 h VAL 67 Ca 0.29 -1.26 0.27 0.00 0.82 0.00 0.00 66.70 66.82 2cr7 h VAL 67 Cb 0.22 2.03 -0.13 0.00 -1.52 0.00 0.00 31.29 31.90 2cr7 h VAL 67 CO -0.20 0.35 0.61 1.23 0.02 0.00 0.00 177.57 179.58 2cr7 h GLY 68 N -0.23 1.85 -0.78 2.17 0.00 -1.11 -0.55 103.07 104.41 2cr7 h GLY 68 Ca 0.01 -0.27 0.22 0.00 0.00 0.00 0.00 47.33 47.29 2cr7 h GLY 68 CO 0.02 -0.30 -0.06 -2.75 0.00 0.00 0.00 176.54 173.45 2cr7 h PHE 69 N 0.48 -0.19 -0.27 5.60 3.57 -1.41 0.30 116.94 125.02 2cr7 h PHE 69 Ca 0.67 0.07 0.06 0.00 3.53 0.00 0.00 57.97 62.30 2cr7 h PHE 69 Cb 1.42 0.23 -0.08 0.00 2.79 0.00 0.00 35.95 40.31 2cr7 h PHE 69 CO -0.01 -0.38 -0.30 -0.91 -2.23 0.00 0.00 178.31 174.49 2cr7 h ASN 70 N 0.03 -0.97 -0.00 0.41 2.35 -1.27 -0.78 115.58 115.35 2cr7 h ASN 70 Ca 0.51 0.16 -0.09 0.00 -0.55 0.00 0.00 56.30 56.33 2cr7 h ASN 70 Cb 0.93 0.44 -0.01 0.00 0.05 0.00 0.00 38.32 39.73 2cr7 h ASN 70 CO -0.87 -0.32 -0.25 0.00 -1.65 0.00 0.00 177.43 174.34 2cr7 h ALA 71 N 0.67 1.17 -0.60 -0.83 0.00 -0.83 -2.71 119.26 116.12 2cr7 h ALA 71 Ca 0.14 -0.33 0.15 0.00 0.00 0.00 0.00 54.91 54.87 2cr7 h ALA 71 Cb 0.52 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2cr7 h ALA 71 CO -0.44 0.53 0.42 0.35 0.00 0.00 0.00 179.25 180.11 2cr7 h PHE 72 N 0.36 0.15 -2.89 0.00 3.57 0.91 -3.40 116.94 115.65 2cr7 h PHE 72 Ca 0.06 0.00 -0.56 0.00 3.53 0.00 0.00 57.97 61.00 2cr7 h PHE 72 Cb 0.63 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 2cr7 h PHE 72 CO 0.02 0.06 0.88 -0.51 -2.23 0.00 0.00 178.31 176.53 2cr7 s LEU 73 N -8.94 4.25 -0.65 0.59 2.01 -0.89 -4.63 118.68 110.42 2cr7 s LEU 73 Ca -0.06 1.90 -0.26 0.00 0.01 0.00 0.00 54.13 55.72 2cr7 s LEU 73 Cb 0.20 -3.55 -0.02 0.00 0.01 0.00 0.00 46.19 42.83 2cr7 s LEU 73 CO 0.74 -0.75 1.88 -2.16 1.01 0.00 0.00 176.35 177.07 2cr7 s PRO 74 N 3.12 2.61 0.61 1.29 0.04 -1.26 -4.98 135.00 136.43 2cr7 s PRO 74 Ca 0.60 0.50 -0.13 0.00 0.04 0.00 0.00 61.00 62.01 2cr7 s PRO 74 Cb -0.26 -4.48 -0.03 0.00 0.04 0.00 0.00 34.50 29.77 2cr7 s PRO 74 CO 0.21 -2.82 1.03 -1.12 0.04 0.00 0.00 177.00 174.34 2cr7 s SER 75 N 8.13 5.98 0.00 6.66 0.01 -1.26 -5.03 113.70 128.18 2cr7 s SER 75 Ca 0.68 1.60 0.00 0.00 1.31 0.00 0.00 55.95 59.53 2cr7 s SER 75 Cb -0.12 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.61 2cr7 s SER 75 CO 0.18 -1.04 0.00 0.61 0.41 0.00 0.00 173.24 173.40 2cr7 n GLY 76 N -1.88 1.21 0.15 3.44 0.00 -1.26 -5.04 105.19 101.80 2cr7 n GLY 76 Ca 0.07 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 2cr7 n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr7 h PRO 77 N 0.00 0.42 -5.83 1.61 0.13 -2.07 -3.44 132.00 122.82 2cr7 h PRO 77 Ca 0.00 -0.22 -0.67 0.00 -0.87 0.00 0.00 66.00 64.24 2cr7 h PRO 77 Cb 0.00 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.10 2cr7 h PRO 77 CO 0.00 0.78 1.44 0.45 -0.23 0.00 0.00 178.00 180.44 2cr7 n SER 78 N -4.50 1.34 -4.73 1.44 2.88 -1.26 -4.83 113.62 103.96 2cr7 n SER 78 Ca -0.06 0.43 -0.42 0.00 -1.33 0.00 0.00 58.87 57.49 2cr7 n SER 78 Cb 0.38 -1.09 -0.01 0.00 -0.75 0.00 0.00 64.21 62.74 2cr7 n SER 78 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2cr7 n SER 79 N 9.37 3.34 0.00 -3.46 3.41 -1.26 -5.12 113.62 119.90 2cr7 n SER 79 Ca 0.50 1.20 0.00 0.00 -0.26 0.00 0.00 58.87 60.31 2cr7 n SER 79 Cb 0.11 -1.55 0.00 0.00 -0.26 0.00 0.00 64.21 62.51 2cr7 n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49