#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 6.54 -0.26 1.61 0.01 -1.26 -5.08 113.70 115.26 2cr7 s SER 2 Ca 0.00 0.63 -0.01 0.00 1.31 0.00 0.00 55.95 57.89 2cr7 s SER 2 Cb 0.00 -2.12 0.04 0.00 0.21 0.00 0.00 66.02 64.15 2cr7 s SER 2 CO 0.00 0.19 -0.06 -0.94 0.41 0.00 0.00 173.24 172.84 2cr7 s SER 3 N -1.87 4.43 0.00 2.44 1.04 -1.26 -5.05 113.70 113.42 2cr7 s SER 3 Ca 0.32 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.70 2cr7 s SER 3 Cb -0.13 -1.65 0.00 0.00 0.10 0.00 0.00 66.02 64.34 2cr7 s SER 3 CO 0.19 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.85 2cr7 n GLY 4 N 4.62 -1.36 3.15 7.32 0.00 -1.26 -5.17 105.19 112.49 2cr7 n GLY 4 Ca -0.15 -1.02 -0.17 0.00 0.00 0.00 0.00 46.02 44.67 2cr7 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr7 s SER 5 N -3.73 1.52 0.03 1.61 0.01 -1.26 -5.16 113.70 106.73 2cr7 s SER 5 Ca 0.00 -0.59 0.07 0.00 1.31 0.00 0.00 55.95 56.73 2cr7 s SER 5 Cb 0.00 -0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.17 2cr7 s SER 5 CO 0.00 -0.09 -0.19 -0.44 0.41 0.00 0.00 173.24 172.93 2cr7 s SER 6 N -1.67 2.28 0.00 2.44 0.01 -1.26 -5.11 113.70 110.39 2cr7 s SER 6 Ca -0.03 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.75 2cr7 s SER 6 Cb -0.10 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 65.94 2cr7 s SER 6 CO 0.02 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.43 2cr7 n GLY 7 N 2.00 3.42 3.62 3.44 0.00 -1.26 -4.71 105.19 111.70 2cr7 n GLY 7 Ca -0.17 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 2cr7 n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2cr7 s VAL 8 N 0.12 2.30 -0.07 1.61 -7.23 -1.26 -5.02 120.40 110.85 2cr7 s VAL 8 Ca 0.00 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.06 2cr7 s VAL 8 Cb 0.00 -2.84 -0.04 0.00 0.56 0.00 0.00 36.38 34.06 2cr7 s VAL 8 CO 0.00 -0.12 -0.21 1.41 -0.31 0.00 0.00 175.10 175.87 2cr7 n HIS 9 N -0.96 0.00 -1.13 2.82 8.25 -1.26 -4.93 115.22 118.01 2cr7 n HIS 9 Ca -0.04 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.05 2cr7 n HIS 9 Cb 0.64 -0.31 0.04 0.00 1.12 0.00 0.00 29.99 31.48 2cr7 n HIS 9 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 2cr7 n VAL 10 N -4.07 0.31 -2.94 1.59 3.14 -1.26 -4.85 118.33 110.25 2cr7 n VAL 10 Ca -0.09 -0.47 -0.44 0.00 -2.96 0.00 0.00 64.34 60.39 2cr7 n VAL 10 Cb 0.32 -0.16 -0.04 0.00 -1.06 0.00 0.00 33.84 32.90 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 -1.82 3.10 0.21 1.45 2.12 -1.26 -5.00 118.70 117.49 2cr7 s GLU 11 Ca 0.52 -0.96 -0.00 0.00 0.36 0.00 0.00 54.97 54.88 2cr7 s GLU 11 Cb -0.33 -4.23 -0.04 0.00 0.26 0.00 0.00 34.13 29.78 2cr7 s GLU 11 CO 0.71 -1.71 0.11 -0.51 -0.54 0.00 0.00 175.26 173.32 2cr7 s ASP 12 N 3.61 0.47 0.04 -1.70 1.11 -1.26 -5.09 116.67 113.85 2cr7 s ASP 12 Ca 0.19 -1.37 0.00 0.00 0.18 0.00 0.00 52.55 51.55 2cr7 s ASP 12 Cb -0.19 0.31 0.00 0.00 1.07 0.00 0.00 42.92 44.11 2cr7 s ASP 12 CO 0.09 -0.79 0.00 0.00 1.18 0.00 0.00 175.17 175.65 2cr7 n ALA 13 N -0.30 3.00 0.32 5.23 0.00 -1.26 -4.77 120.51 122.72 2cr7 n ALA 13 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2cr7 n ALA 13 Cb 0.66 0.29 0.18 0.00 0.00 0.00 0.00 19.45 20.58 2cr7 n ALA 13 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2cr7 n LEU 14 N -2.97 2.86 0.20 0.00 -0.00 -1.26 -4.13 117.00 111.69 2cr7 n LEU 14 Ca 0.00 -1.45 0.03 0.00 -0.00 0.00 0.00 56.01 54.60 2cr7 n LEU 14 Cb 0.26 -0.50 0.41 0.00 -0.00 0.00 0.00 43.42 43.58 2cr7 n LEU 14 CO 0.00 0.43 0.78 0.00 -0.00 0.00 0.00 177.39 178.60 2cr7 h THR 15 N 1.88 1.21 0.12 1.47 1.03 -2.00 -3.03 112.91 113.59 2cr7 h THR 15 Ca 0.00 -1.08 -0.36 0.00 -0.01 0.00 0.00 66.41 64.97 2cr7 h THR 15 Cb 1.01 1.58 -0.02 0.00 -1.07 0.00 0.00 68.15 69.66 2cr7 h THR 15 CO 0.17 0.31 -1.93 0.22 -0.01 0.00 0.00 175.52 174.28 2cr7 h TYR 16 N 0.00 0.47 -0.75 0.00 3.20 -1.93 -3.38 116.97 114.58 2cr7 h TYR 16 Ca -0.00 -0.34 0.17 0.00 3.14 0.00 0.00 58.73 61.69 2cr7 h TYR 16 Cb 0.56 -0.02 -0.12 0.00 1.54 0.00 0.00 36.73 38.69 2cr7 h TYR 16 CO 0.00 1.69 0.16 1.25 -1.64 0.00 0.00 178.16 179.62 2cr7 h LEU 17 N 0.07 -0.04 -0.46 2.82 7.12 -1.79 -0.84 115.31 122.18 2cr7 h LEU 17 Ca -0.40 0.16 0.09 0.00 0.13 0.00 0.00 57.88 57.86 2cr7 h LEU 17 Cb 2.04 0.22 -0.10 0.00 -0.53 0.00 0.00 40.66 42.30 2cr7 h LEU 17 CO 0.10 -0.07 -0.24 -0.78 -0.13 0.00 0.00 178.44 177.32 2cr7 h ASP 18 N 0.24 -0.81 -0.08 1.25 3.58 -1.70 -2.49 116.42 116.40 2cr7 h ASP 18 Ca 0.43 0.18 0.01 0.00 0.42 0.00 0.00 57.03 58.07 2cr7 h ASP 18 Cb 0.75 0.43 -0.02 0.00 1.72 0.00 0.00 39.33 42.20 2cr7 h ASP 18 CO -0.54 -0.26 -0.19 1.56 -2.88 0.00 0.00 179.24 176.93 2cr7 h GLN 19 N -0.14 -0.17 -0.95 0.28 1.08 -1.35 -1.02 115.11 112.85 2cr7 h GLN 19 Ca 0.22 0.01 0.27 0.00 -1.45 0.00 0.00 58.65 57.70 2cr7 h GLN 19 Cb 0.48 0.04 -0.18 0.00 -0.05 0.00 0.00 27.48 27.77 2cr7 h GLN 19 CO -0.55 -0.11 0.07 0.28 -0.95 0.00 0.00 178.83 177.57 2cr7 n VAL 20 N -3.56 -0.40 0.36 -0.54 0.31 -1.02 -0.28 118.33 113.20 2cr7 n VAL 20 Ca -0.02 2.07 -0.18 0.00 -0.01 0.00 0.00 64.34 66.20 2cr7 n VAL 20 Cb 0.12 -3.05 -0.09 0.00 -0.91 0.00 0.00 33.84 29.91 2cr7 n VAL 20 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2cr7 h LYS 21 N 0.00 -0.98 0.16 5.55 3.64 -0.80 0.10 116.57 124.24 2cr7 h LYS 21 Ca 0.60 0.07 0.01 0.00 -1.27 0.00 0.00 60.65 60.06 2cr7 h LYS 21 Cb 1.28 0.22 -0.05 0.00 -0.41 0.00 0.00 32.23 33.27 2cr7 h LYS 21 CO -0.87 -0.66 -0.50 0.82 -2.27 0.00 0.00 179.45 175.97 2cr7 h ILE 22 N -1.02 0.04 0.07 2.00 2.04 0.36 0.45 117.51 121.45 2cr7 h ILE 22 Ca -0.08 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.80 2cr7 h ILE 22 Cb 0.84 0.04 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 2cr7 h ILE 22 CO 0.06 0.00 -0.53 -0.09 0.00 0.00 0.00 178.15 177.58 2cr7 h ARG 23 N -0.76 -0.69 -1.54 2.37 1.12 -1.10 -1.58 114.38 112.21 2cr7 h ARG 23 Ca -0.00 0.05 -0.39 0.00 -1.11 0.00 0.00 59.98 58.52 2cr7 h ARG 23 Cb 0.75 0.16 -0.16 0.00 -0.01 0.00 0.00 29.97 30.71 2cr7 h ARG 23 CO -0.26 -0.46 0.47 1.19 -3.11 0.00 0.00 179.97 177.80 2cr7 n PHE 24 N -5.48 1.75 -0.02 2.20 3.72 0.34 -4.58 117.46 115.39 2cr7 n PHE 24 Ca -0.08 -2.09 -0.11 0.00 -0.05 0.00 0.00 57.45 55.12 2cr7 n PHE 24 Cb 0.41 -1.08 -0.04 0.00 -0.94 0.00 0.00 39.48 37.82 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 2.68 0.21 -3.63 1.37 0.00 0.95 -2.67 103.07 101.99 2cr7 h GLY 25 Ca 0.34 -0.08 -0.10 0.00 0.00 0.00 0.00 47.33 47.49 2cr7 h GLY 25 CO 0.88 0.08 0.13 -1.26 0.00 0.00 0.00 176.54 176.37 2cr7 n SER 26 N -4.97 5.34 -3.92 0.19 2.88 -1.26 -4.70 113.62 107.17 2cr7 n SER 26 Ca -0.04 -3.06 -0.29 0.00 -1.33 0.00 0.00 58.87 54.15 2cr7 n SER 26 Cb 0.04 -0.72 -0.12 0.00 -0.75 0.00 0.00 64.21 62.67 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 -0.87 4.90 0.41 -3.46 1.11 -1.01 -4.91 116.67 112.84 2cr7 s ASP 27 Ca 0.55 -3.79 0.20 0.00 0.18 0.00 0.00 52.55 49.68 2cr7 s ASP 27 Cb 0.43 -1.66 0.86 0.00 1.07 0.00 0.00 42.92 43.61 2cr7 s ASP 27 CO 0.15 -0.10 1.83 1.55 1.18 0.00 0.00 175.17 179.77 2cr7 h PRO 28 N 5.53 0.00 -0.35 8.23 0.13 -1.84 -2.12 132.00 141.58 2cr7 h PRO 28 Ca 0.13 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.18 2cr7 h PRO 28 Cb 0.77 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 2cr7 h PRO 28 CO 0.73 0.31 -0.10 0.00 -0.23 0.00 0.00 178.00 178.71 2cr7 h ALA 29 N 1.69 0.48 -0.00 -0.56 0.00 -1.95 -1.63 119.26 117.28 2cr7 h ALA 29 Ca -0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 2cr7 h ALA 29 Cb 0.73 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2cr7 h ALA 29 CO 0.04 0.35 -0.04 1.15 0.00 0.00 0.00 179.25 180.75 2cr7 h THR 30 N 0.47 1.59 -0.91 0.00 2.02 -1.93 -3.15 112.91 111.00 2cr7 h THR 30 Ca 0.09 -1.80 0.11 0.00 0.77 0.00 0.00 66.41 65.58 2cr7 h THR 30 Cb 0.61 2.80 -0.08 0.00 -1.74 0.00 0.00 68.15 69.74 2cr7 h THR 30 CO 0.04 0.47 0.54 0.22 0.37 0.00 0.00 175.52 177.16 2cr7 h TYR 31 N -0.71 0.98 -0.27 3.16 3.20 -1.46 -1.82 116.97 120.06 2cr7 h TYR 31 Ca -0.00 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.93 2cr7 h TYR 31 Cb 0.80 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 2cr7 h TYR 31 CO 0.19 0.38 0.08 -0.91 -1.64 0.00 0.00 178.16 176.27 2cr7 h ASN 32 N 0.87 0.08 -0.21 -2.11 4.21 -1.36 -2.80 115.58 114.26 2cr7 h ASN 32 Ca 0.45 0.03 0.04 0.00 1.21 0.00 0.00 56.30 58.04 2cr7 h ASN 32 Cb 0.44 0.03 -0.04 0.00 -1.12 0.00 0.00 38.32 37.63 2cr7 h ASN 32 CO -0.26 0.08 -0.07 1.23 -1.29 0.00 0.00 177.43 177.12 2cr7 h GLY 33 N 0.20 0.13 1.49 2.83 0.00 -1.30 0.54 103.07 106.97 2cr7 h GLY 33 Ca 0.12 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2cr7 h GLY 33 CO -0.13 -0.09 0.23 -2.75 0.00 0.00 0.00 176.54 173.79 2cr7 h PHE 34 N -0.02 0.00 0.10 5.60 3.57 -1.21 -0.04 116.94 124.94 2cr7 h PHE 34 Ca 0.11 0.00 -0.37 0.00 3.53 0.00 0.00 57.97 61.24 2cr7 h PHE 34 Cb 0.18 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 2cr7 h PHE 34 CO -0.24 0.00 -2.09 1.28 -2.23 0.00 0.00 178.31 175.03 2cr7 n LEU 35 N -2.64 2.70 0.26 0.59 4.77 0.04 -3.87 117.00 118.85 2cr7 n LEU 35 Ca -0.02 0.14 0.12 0.00 -0.03 0.00 0.00 56.01 56.22 2cr7 n LEU 35 Cb 0.27 -1.07 0.70 0.00 -2.33 0.00 0.00 43.42 40.99 2cr7 n LEU 35 CO 0.12 0.87 0.97 1.05 -1.33 0.00 0.00 177.39 179.07 2cr7 h GLU 36 N 0.06 0.00 -0.06 3.23 4.11 0.37 -2.83 114.58 119.46 2cr7 h GLU 36 Ca -0.45 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 58.92 2cr7 h GLU 36 Cb 2.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.26 2cr7 h GLU 36 CO 0.06 0.13 -0.18 0.82 0.07 0.00 0.00 179.01 179.90 2cr7 h ILE 37 N 0.00 1.43 -0.62 -1.06 2.04 -1.46 -3.27 117.51 114.57 2cr7 h ILE 37 Ca -0.00 -1.56 0.11 0.00 1.00 0.00 0.00 64.86 64.41 2cr7 h ILE 37 Cb 0.34 2.29 -0.08 0.00 -0.74 0.00 0.00 36.82 38.63 2cr7 h ILE 37 CO 0.02 0.44 0.18 0.24 0.00 0.00 0.00 178.15 179.02 2cr7 h MET 38 N -0.28 0.31 -0.87 2.37 2.86 -1.61 -1.06 114.93 116.65 2cr7 h MET 38 Ca -0.01 -0.02 0.23 0.00 -2.06 0.00 0.00 59.70 57.84 2cr7 h MET 38 Cb 0.80 -0.07 -0.14 0.00 0.06 0.00 0.00 31.60 32.25 2cr7 h MET 38 CO 0.04 0.21 0.26 0.87 1.06 0.00 0.00 176.91 179.34 2cr7 h LYS 39 N 0.32 0.24 -0.00 1.72 1.57 -1.58 -1.39 116.57 117.44 2cr7 h LYS 39 Ca 0.33 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.11 2cr7 h LYS 39 Cb 0.47 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 2cr7 h LYS 39 CO -0.38 0.16 -0.39 0.93 -0.57 0.00 0.00 179.45 179.20 2cr7 h GLU 40 N 0.25 -0.47 -0.84 3.15 5.08 -1.27 0.70 114.58 121.16 2cr7 h GLU 40 Ca 0.54 0.03 0.15 0.00 -1.00 0.00 0.00 59.36 59.09 2cr7 h GLU 40 Cb 1.07 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.37 2cr7 h GLU 40 CO -0.62 -0.31 0.55 0.35 -1.00 0.00 0.00 179.01 177.98 2cr7 h PHE 41 N -0.49 0.67 0.00 4.33 3.04 -1.35 0.25 116.94 123.38 2cr7 h PHE 41 Ca 0.01 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.92 2cr7 h PHE 41 Cb 0.53 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.82 2cr7 h PHE 41 CO -0.48 0.24 -0.27 0.87 -2.02 0.00 0.00 178.31 176.65 2cr7 h LYS 42 N 0.56 0.00 -0.67 1.11 6.56 -0.16 -1.95 116.57 122.01 2cr7 h LYS 42 Ca 0.42 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.01 2cr7 h LYS 42 Cb 0.82 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.48 2cr7 h LYS 42 CO -0.17 0.27 0.00 0.43 -2.06 0.00 0.00 179.45 177.92 2cr7 n SER 43 N -4.19 4.73 -2.23 0.86 7.64 0.67 -4.88 113.62 116.22 2cr7 n SER 43 Ca -0.02 -2.73 -0.21 0.00 1.01 0.00 0.00 58.87 56.92 2cr7 n SER 43 Cb 0.32 -0.65 -0.03 0.00 -1.01 0.00 0.00 64.21 62.85 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 0.50 -1.64 0.08 1.43 1.13 -0.73 -4.87 117.38 113.28 2cr7 n GLN 44 Ca 0.22 1.06 -0.20 0.00 -1.94 0.00 0.00 57.00 56.14 2cr7 n GLN 44 Cb 1.00 -5.67 -0.15 0.00 0.11 0.00 0.00 30.24 25.53 2cr7 n GLN 44 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 2cr7 h SER 45 N 0.00 0.52 -4.08 1.08 0.02 -1.20 -3.48 113.55 106.40 2cr7 h SER 45 Ca -0.48 -0.71 -0.50 0.00 -0.84 0.00 0.00 61.79 59.25 2cr7 h SER 45 Cb 1.37 -0.17 -0.13 0.00 0.14 0.00 0.00 62.40 63.60 2cr7 h SER 45 CO 0.60 1.59 -0.53 0.27 -1.14 0.00 0.00 176.83 177.62 2cr7 s ILE 46 N -2.60 0.44 0.51 3.27 -4.36 -1.25 -4.92 121.20 112.28 2cr7 s ILE 46 Ca -0.11 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.29 2cr7 s ILE 46 Cb 0.06 -2.44 -0.00 0.00 1.25 0.00 0.00 42.46 41.33 2cr7 s ILE 46 CO 0.86 0.00 0.03 -1.81 0.24 0.00 0.00 174.94 174.27 2cr7 s ASP 47 N -3.49 3.89 0.15 4.36 1.01 -1.26 -4.49 116.67 116.84 2cr7 s ASP 47 Ca 0.31 -1.71 -0.30 0.00 0.71 0.00 0.00 52.55 51.56 2cr7 s ASP 47 Cb 0.03 0.67 -0.04 0.00 1.01 0.00 0.00 42.92 44.59 2cr7 s ASP 47 CO 0.18 -0.94 1.55 0.74 0.21 0.00 0.00 175.17 176.91 2cr7 h THR 48 N 1.38 0.02 0.00 -1.27 2.02 -2.01 0.78 112.91 113.83 2cr7 h THR 48 Ca -0.42 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.76 2cr7 h THR 48 Cb 1.32 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 2cr7 h THR 48 CO 0.69 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.77 2cr7 n PRO 49 N -5.36 0.09 0.01 6.66 -0.04 -1.26 -2.68 135.00 132.42 2cr7 n PRO 49 Ca 0.00 0.21 -0.13 0.00 -0.04 0.00 0.00 63.50 63.54 2cr7 n PRO 49 Cb 0.33 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.15 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 2.45 0.12 2.00 0.55 0.00 0.13 -3.33 103.07 104.98 2cr7 h GLY 50 Ca 0.00 -0.29 -0.15 0.00 0.00 0.00 0.00 47.33 46.89 2cr7 h GLY 50 CO 0.00 0.26 -0.72 -0.24 0.00 0.00 0.00 176.54 175.84 2cr7 h VAL 51 N 0.03 1.45 -0.22 4.60 3.04 -0.88 -3.16 116.25 121.10 2cr7 h VAL 51 Ca -0.28 -2.51 -0.08 0.00 -1.01 0.00 0.00 66.70 62.82 2cr7 h VAL 51 Cb 2.00 2.37 -0.01 0.00 -2.01 0.00 0.00 31.29 33.64 2cr7 h VAL 51 CO 0.10 0.70 -0.22 0.40 -1.01 0.00 0.00 177.57 177.54 2cr7 h ILE 52 N 0.00 1.25 -0.38 3.17 2.04 -1.69 -2.64 117.51 119.25 2cr7 h ILE 52 Ca -0.01 -1.15 0.08 0.00 1.00 0.00 0.00 64.86 64.78 2cr7 h ILE 52 Cb 1.32 1.32 -0.07 0.00 -0.74 0.00 0.00 36.82 38.65 2cr7 h ILE 52 CO 0.09 0.36 -0.08 -0.09 0.00 0.00 0.00 178.15 178.44 2cr7 h ARG 53 N 0.36 0.02 0.45 2.37 2.43 -1.66 -0.86 114.38 117.49 2cr7 h ARG 53 Ca 0.06 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 2cr7 h ARG 53 Cb 0.59 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2cr7 h ARG 53 CO 0.04 0.01 -0.21 0.00 -1.51 0.00 0.00 179.97 178.30 2cr7 h ARG 54 N 0.02 -0.58 -1.15 0.20 2.47 -1.68 -3.06 114.38 110.60 2cr7 h ARG 54 Ca 0.19 0.04 0.33 0.00 -1.26 0.00 0.00 59.98 59.28 2cr7 h ARG 54 Cb 0.28 0.13 -0.05 0.00 -1.65 0.00 0.00 29.97 28.69 2cr7 h ARG 54 CO -0.38 -0.30 1.05 0.28 0.56 0.00 0.00 179.97 181.18 2cr7 h VAL 55 N -1.06 0.15 0.46 2.04 2.07 -1.34 0.36 116.25 118.93 2cr7 h VAL 55 Ca -0.06 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 2cr7 h VAL 55 Cb 0.55 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2cr7 h VAL 55 CO 0.10 0.00 -0.22 -1.28 0.02 0.00 0.00 177.57 176.19 2cr7 h SER 56 N 0.00 -0.53 -0.41 0.57 0.87 -1.06 -2.89 113.55 110.10 2cr7 h SER 56 Ca 0.54 0.02 0.07 0.00 -1.23 0.00 0.00 61.79 61.19 2cr7 h SER 56 Cb 2.64 0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 64.67 2cr7 h SER 56 CO -0.01 -0.14 0.07 0.06 -0.53 0.00 0.00 176.83 176.29 2cr7 h GLN 57 N -1.10 0.19 -0.30 2.24 3.07 -0.93 0.04 115.11 118.32 2cr7 h GLN 57 Ca -0.06 -0.01 0.05 0.00 0.09 0.00 0.00 58.65 58.72 2cr7 h GLN 57 Cb 0.48 -0.04 -0.08 0.00 0.08 0.00 0.00 27.48 27.91 2cr7 h GLN 57 CO 0.10 0.13 -0.46 1.25 0.09 0.00 0.00 178.83 179.94 2cr7 h LEU 58 N 0.20 -1.51 -3.74 0.06 5.85 -1.35 -0.37 115.31 114.44 2cr7 h LEU 58 Ca 0.20 0.21 -0.51 0.00 0.84 0.00 0.00 57.88 58.62 2cr7 h LEU 58 Cb 0.25 0.63 -0.24 0.00 0.37 0.00 0.00 40.66 41.67 2cr7 h LEU 58 CO -0.27 -0.41 0.65 0.49 -0.34 0.00 0.00 178.44 178.56 2cr7 n PHE 59 N -5.42 2.57 -0.26 1.25 3.72 -1.02 -4.60 117.46 113.71 2cr7 n PHE 59 Ca -0.03 -2.30 0.14 0.00 -0.05 0.00 0.00 57.45 55.21 2cr7 n PHE 59 Cb 0.36 -1.13 0.42 0.00 -0.94 0.00 0.00 39.48 38.19 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 1.48 0.73 0.00 1.38 2.07 0.81 0.17 115.15 121.80 2cr7 h HIS 60 Ca 0.50 0.02 -0.13 0.00 -2.85 0.00 0.00 60.37 57.91 2cr7 h HIS 60 Cb 1.39 -0.23 -0.02 0.00 2.57 0.00 0.00 27.41 31.13 2cr7 h HIS 60 CO 1.23 0.24 -0.61 0.93 -3.07 0.00 0.00 177.93 176.66 2cr7 h GLU 61 N 0.59 0.00 -3.54 5.12 5.08 -1.82 -3.38 114.58 116.63 2cr7 h GLU 61 Ca 0.46 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 58.08 2cr7 h GLU 61 Cb 0.87 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 29.80 2cr7 h GLU 61 CO -0.20 0.61 -0.03 -1.01 -1.00 0.00 0.00 179.01 177.38 2cr7 s HIS 62 N -3.10 3.80 0.21 4.33 3.76 0.60 -4.88 115.29 120.02 2cr7 s HIS 62 Ca 0.02 -2.67 0.26 0.00 -0.15 0.00 0.00 55.06 52.52 2cr7 s HIS 62 Cb 0.09 -3.46 1.09 0.00 1.11 0.00 0.00 32.58 31.42 2cr7 s HIS 62 CO 0.75 -0.86 1.90 -1.00 -0.85 0.00 0.00 174.74 174.69 2cr7 h PRO 63 N 6.77 0.00 -0.19 8.40 0.13 -1.75 -2.89 132.00 142.47 2cr7 h PRO 63 Ca 0.11 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.14 2cr7 h PRO 63 Cb 0.91 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 2cr7 h PRO 63 CO 0.82 0.18 -0.28 -0.44 -0.23 0.00 0.00 178.00 178.06 2cr7 h ASP 64 N 0.00 0.37 0.01 1.44 5.19 -1.90 -2.94 116.42 118.59 2cr7 h ASP 64 Ca -0.00 -0.13 -0.02 0.00 -0.62 0.00 0.00 57.03 56.26 2cr7 h ASP 64 Cb 0.63 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.04 2cr7 h ASP 64 CO 0.02 0.65 -0.10 -0.07 -3.12 0.00 0.00 179.24 176.63 2cr7 h LEU 65 N 0.33 0.07 -1.17 1.55 3.38 -1.86 -2.08 115.31 115.52 2cr7 h LEU 65 Ca 0.05 -0.85 0.28 0.00 0.09 0.00 0.00 57.88 57.44 2cr7 h LEU 65 Cb 0.67 -0.02 -0.12 0.00 0.09 0.00 0.00 40.66 41.28 2cr7 h LEU 65 CO 0.05 0.92 0.64 0.40 0.09 0.00 0.00 178.44 180.53 2cr7 h ILE 66 N -0.76 0.47 0.01 1.22 2.04 -1.52 -1.75 117.51 117.22 2cr7 h ILE 66 Ca -0.01 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 2cr7 h ILE 66 Cb 0.94 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 2cr7 h ILE 66 CO 0.02 0.08 -0.00 0.58 0.00 0.00 0.00 178.15 178.83 2cr7 h VAL 67 N 0.45 1.31 -1.10 1.67 2.07 -1.59 -3.33 116.25 115.73 2cr7 h VAL 67 Ca 0.65 -1.94 0.43 0.00 0.82 0.00 0.00 66.70 66.66 2cr7 h VAL 67 Cb 1.48 2.46 -0.17 0.00 -1.52 0.00 0.00 31.29 33.54 2cr7 h VAL 67 CO -0.42 0.44 0.64 1.23 0.02 0.00 0.00 177.57 179.47 2cr7 h GLY 68 N -0.98 2.02 0.77 2.17 0.00 -0.60 0.25 103.07 106.70 2cr7 h GLY 68 Ca -0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 2cr7 h GLY 68 CO 0.00 -0.70 -0.47 -2.75 0.00 0.00 0.00 176.54 172.62 2cr7 h PHE 69 N 0.02 -1.27 -0.58 5.60 3.57 -1.51 -1.70 116.94 121.08 2cr7 h PHE 69 Ca 0.85 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 62.30 2cr7 h PHE 69 Cb 2.37 0.45 -0.03 0.00 2.79 0.00 0.00 35.95 41.53 2cr7 h PHE 69 CO -0.01 -0.71 0.20 -2.95 -2.23 0.00 0.00 178.31 172.61 2cr7 h ASN 70 N -1.17 0.80 -0.35 0.41 7.08 -1.01 0.17 115.58 121.51 2cr7 h ASN 70 Ca -0.10 -0.12 0.07 0.00 -3.08 0.00 0.00 56.30 53.07 2cr7 h ASN 70 Cb 0.94 -0.21 -0.07 0.00 -2.08 0.00 0.00 38.32 36.90 2cr7 h ASN 70 CO 0.11 0.74 -0.08 0.00 -2.08 0.00 0.00 177.43 176.11 2cr7 h ALA 71 N 1.37 0.23 0.07 4.14 0.00 -0.44 -2.98 119.26 121.64 2cr7 h ALA 71 Ca 0.19 0.13 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 2cr7 h ALA 71 Cb 0.22 0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.28 2cr7 h ALA 71 CO -0.01 -0.46 -0.51 0.27 0.00 0.00 0.00 179.25 178.55 2cr7 h PHE 72 N 0.00 0.38 -1.90 0.00 -5.15 -1.10 -3.40 116.94 105.77 2cr7 h PHE 72 Ca 0.17 -0.25 -0.65 0.00 -0.20 0.00 0.00 57.97 57.03 2cr7 h PHE 72 Cb 0.25 -0.02 0.04 0.00 0.22 0.00 0.00 35.95 36.44 2cr7 h PHE 72 CO -0.32 1.16 0.72 -0.11 -2.00 0.00 0.00 178.31 177.76 2cr7 n LEU 73 N -4.31 2.47 -4.77 2.10 7.94 0.59 -4.93 117.00 116.08 2cr7 n LEU 73 Ca -0.12 1.08 -0.32 0.00 -1.11 0.00 0.00 56.01 55.54 2cr7 n LEU 73 Cb 0.67 -1.28 0.07 0.00 0.53 0.00 0.00 43.42 43.41 2cr7 n LEU 73 CO 0.43 -0.58 0.72 -2.16 -1.11 0.00 0.00 177.39 174.70 2cr7 s PRO 74 N 1.55 2.54 -0.01 1.96 0.04 -1.26 -4.84 135.00 134.98 2cr7 s PRO 74 Ca 0.86 1.28 0.05 0.00 0.04 0.00 0.00 61.00 63.23 2cr7 s PRO 74 Cb -0.85 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 31.76 2cr7 s PRO 74 CO 0.47 -1.44 -0.16 0.45 0.04 0.00 0.00 177.00 176.37 2cr7 s SER 75 N -2.98 1.88 1.16 6.66 0.15 -1.26 -5.14 113.70 114.16 2cr7 s SER 75 Ca 0.64 -0.29 -0.18 0.00 0.70 0.00 0.00 55.95 56.82 2cr7 s SER 75 Cb -0.19 -0.22 0.26 0.00 -1.71 0.00 0.00 66.02 64.17 2cr7 s SER 75 CO 0.48 0.20 1.12 0.61 1.20 0.00 0.00 173.24 176.85 2cr7 n GLY 76 N 2.70 -2.32 3.59 9.45 0.00 -1.26 -4.93 105.19 112.42 2cr7 n GLY 76 Ca -0.15 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 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 -5.49 3.31 -0.22 1.61 0.04 -1.26 -4.97 135.00 128.01 2cr7 s PRO 77 Ca 0.69 1.23 -0.29 0.00 0.04 0.00 0.00 61.00 62.67 2cr7 s PRO 77 Cb -0.05 -4.18 0.01 0.00 0.04 0.00 0.00 34.50 30.32 2cr7 s PRO 77 CO 0.51 -1.89 1.05 -1.12 0.04 0.00 0.00 177.00 175.59 2cr7 s SER 78 N 5.85 7.09 1.00 6.66 0.01 -1.26 -5.03 113.70 128.02 2cr7 s SER 78 Ca 0.74 1.40 -0.12 0.00 1.31 0.00 0.00 55.95 59.28 2cr7 s SER 78 Cb -0.19 -2.54 0.19 0.00 0.21 0.00 0.00 66.02 63.68 2cr7 s SER 78 CO 0.32 -0.67 1.09 -0.94 0.41 0.00 0.00 173.24 173.45 2cr7 s SER 79 N 1.24 2.58 0.00 2.44 1.04 -1.26 -5.32 113.70 114.42 2cr7 s SER 79 Ca 0.45 1.25 0.29 0.00 0.48 0.00 0.00 55.95 58.42 2cr7 s SER 79 Cb -0.15 -1.92 1.27 0.00 0.10 0.00 0.00 66.02 65.31 2cr7 s SER 79 CO 0.07 -3.17 1.87 0.61 0.98 0.00 0.00 173.24 173.60