#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 4.39 0.29 1.61 0.01 -1.26 -5.16 113.70 113.59 2cr7 s SER 2 Ca 0.00 -1.19 -0.19 0.00 1.31 0.00 0.00 55.95 55.88 2cr7 s SER 2 Cb 0.00 -0.21 0.02 0.00 0.21 0.00 0.00 66.02 66.04 2cr7 s SER 2 CO 0.00 -0.66 0.70 -0.44 0.41 0.00 0.00 173.24 173.25 2cr7 s SER 3 N -3.95 -0.19 0.27 2.44 0.01 -1.26 -5.15 113.70 105.87 2cr7 s SER 3 Ca 0.35 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.88 2cr7 s SER 3 Cb 0.03 0.73 0.00 0.00 0.21 0.00 0.00 66.02 66.99 2cr7 s SER 3 CO 0.20 -1.38 0.00 0.61 0.41 0.00 0.00 173.24 173.08 2cr7 n GLY 4 N -0.46 -1.40 4.24 3.44 0.00 -1.26 -4.92 105.19 104.83 2cr7 n GLY 4 Ca -0.04 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.41 2cr7 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cr7 n SER 5 N -0.38 0.06 -4.43 1.61 7.64 -1.26 -4.84 113.62 112.02 2cr7 n SER 5 Ca 0.00 -1.19 -0.44 0.00 1.01 0.00 0.00 58.87 58.25 2cr7 n SER 5 Cb 0.00 -2.05 -0.02 0.00 -1.01 0.00 0.00 64.21 61.13 2cr7 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cr7 s SER 6 N -4.20 6.65 -0.10 6.43 0.01 -1.26 -5.00 113.70 116.24 2cr7 s SER 6 Ca 0.14 -2.16 -0.29 0.00 1.31 0.00 0.00 55.95 54.95 2cr7 s SER 6 Cb -0.08 -2.37 -0.06 0.00 0.21 0.00 0.00 66.02 63.72 2cr7 s SER 6 CO 0.97 -0.98 1.98 -0.83 0.41 0.00 0.00 173.24 174.79 2cr7 s GLY 7 N 3.39 1.09 0.56 3.44 0.00 -1.26 -4.97 107.32 109.57 2cr7 s GLY 7 Ca 0.30 0.97 -0.15 0.00 0.00 0.00 0.00 44.72 45.84 2cr7 s GLY 7 CO -0.09 3.49 1.01 0.54 0.00 0.00 0.00 173.10 178.05 2cr7 s VAL 8 N 5.92 4.40 0.07 1.40 0.11 -1.26 -5.01 120.40 126.02 2cr7 s VAL 8 Ca 0.89 1.04 0.00 0.00 -2.93 0.00 0.00 61.98 60.98 2cr7 s VAL 8 Cb -0.36 -3.67 0.00 0.00 -1.53 0.00 0.00 36.38 30.83 2cr7 s VAL 8 CO 0.37 -0.76 0.00 1.41 -3.33 0.00 0.00 175.10 172.78 2cr7 n HIS 9 N -2.01 -0.26 -4.03 1.54 8.25 -1.26 -5.02 115.22 112.43 2cr7 n HIS 9 Ca 0.07 0.05 -0.33 0.00 -0.26 0.00 0.00 57.72 57.25 2cr7 n HIS 9 Cb 0.54 0.12 -0.15 0.00 1.12 0.00 0.00 29.99 31.62 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 -2.00 2.35 -0.30 1.59 0.11 -1.26 -5.07 120.40 115.82 2cr7 s VAL 10 Ca 0.00 -1.67 -0.28 0.00 -2.93 0.00 0.00 61.98 57.09 2cr7 s VAL 10 Cb 0.00 -2.42 -0.02 0.00 -1.53 0.00 0.00 36.38 32.41 2cr7 s VAL 10 CO 0.00 -0.12 1.85 -1.61 -3.33 0.00 0.00 175.10 171.89 2cr7 s GLU 11 N 1.11 3.34 0.37 1.54 8.01 -1.26 -4.96 118.70 126.85 2cr7 s GLU 11 Ca -0.06 1.54 0.01 0.00 0.01 0.00 0.00 54.97 56.47 2cr7 s GLU 11 Cb -0.20 -4.21 -0.00 0.00 -4.31 0.00 0.00 34.13 25.40 2cr7 s GLU 11 CO -0.05 -1.85 0.04 -0.25 0.01 0.00 0.00 175.26 173.17 2cr7 n ASP 12 N 10.34 2.43 0.00 -0.19 9.92 -1.26 -5.01 116.55 132.79 2cr7 n ASP 12 Ca 0.24 -2.71 -0.00 0.00 -0.53 0.00 0.00 54.79 51.78 2cr7 n ASP 12 Cb 0.46 0.46 -0.00 0.00 -0.64 0.00 0.00 41.12 41.40 2cr7 n ASP 12 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2cr7 n ALA 13 N -1.67 2.29 -0.39 2.24 0.00 -1.26 -4.72 120.51 117.00 2cr7 n ALA 13 Ca -0.15 -0.09 0.32 0.00 0.00 0.00 0.00 53.44 53.53 2cr7 n ALA 13 Cb 0.49 0.03 0.63 0.00 0.00 0.00 0.00 19.45 20.60 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 -0.04 0.26 -0.74 0.00 8.10 -2.00 0.17 115.31 121.05 2cr7 h LEU 14 Ca 0.00 0.08 0.17 0.00 0.11 0.00 0.00 57.88 58.24 2cr7 h LEU 14 Cb 0.04 0.05 -0.11 0.00 -0.44 0.00 0.00 40.66 40.20 2cr7 h LEU 14 CO 0.00 -0.03 0.15 0.74 -4.11 0.00 0.00 178.44 175.19 2cr7 h THR 15 N 0.18 0.48 -0.05 0.15 2.02 -2.00 0.13 112.91 113.82 2cr7 h THR 15 Ca 0.69 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.79 2cr7 h THR 15 Cb 2.19 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 68.81 2cr7 h THR 15 CO -0.27 0.04 0.01 0.22 0.37 0.00 0.00 175.52 175.90 2cr7 h TYR 16 N 0.24 0.08 -0.85 3.16 3.20 -0.95 -3.00 116.97 118.85 2cr7 h TYR 16 Ca 0.42 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.41 2cr7 h TYR 16 Cb 0.73 -0.02 -0.09 0.00 1.54 0.00 0.00 36.73 38.89 2cr7 h TYR 16 CO -0.29 0.27 0.46 -0.07 -1.64 0.00 0.00 178.16 176.90 2cr7 h LEU 17 N -0.13 0.61 -0.84 2.82 3.38 -1.21 -1.88 115.31 118.06 2cr7 h LEU 17 Ca 0.02 0.07 0.26 0.00 0.09 0.00 0.00 57.88 58.32 2cr7 h LEU 17 Cb 0.23 -0.03 -0.16 0.00 0.09 0.00 0.00 40.66 40.79 2cr7 h LEU 17 CO 0.00 0.30 0.12 -0.67 0.09 0.00 0.00 178.44 178.28 2cr7 n ASP 18 N -4.81 -0.01 -0.16 -0.43 2.03 -0.09 0.20 116.55 113.29 2cr7 n ASP 18 Ca 0.16 1.42 -0.10 0.00 0.52 0.00 0.00 54.79 56.79 2cr7 n ASP 18 Cb 0.38 -0.56 -0.00 0.00 -0.72 0.00 0.00 41.12 40.22 2cr7 n ASP 18 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2cr7 h GLN 19 N 0.00 0.84 -0.69 -0.67 1.08 -1.47 -2.52 115.11 111.68 2cr7 h GLN 19 Ca 0.56 -0.29 -0.06 0.00 -1.45 0.00 0.00 58.65 57.41 2cr7 h GLN 19 Cb 1.25 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.58 2cr7 h GLN 19 CO -0.76 0.91 0.21 0.28 -0.95 0.00 0.00 178.83 178.52 2cr7 h VAL 20 N 0.68 1.26 0.17 -0.54 2.07 0.23 -1.80 116.25 118.32 2cr7 h VAL 20 Ca 0.13 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 2cr7 h VAL 20 Cb 0.56 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2cr7 h VAL 20 CO 0.03 0.34 -0.08 0.50 0.02 0.00 0.00 177.57 178.38 2cr7 h LYS 21 N 1.01 -0.22 0.87 1.57 3.11 -0.55 0.93 116.57 123.29 2cr7 h LYS 21 Ca 0.22 0.02 -0.04 0.00 -2.81 0.00 0.00 60.65 58.04 2cr7 h LYS 21 Cb 0.31 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.59 2cr7 h LYS 21 CO -0.01 -0.15 -0.50 0.82 -2.81 0.00 0.00 179.45 176.81 2cr7 h ILE 22 N -0.23 0.00 -0.54 2.00 2.04 -1.37 -0.61 117.51 118.81 2cr7 h ILE 22 Ca -0.02 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.94 2cr7 h ILE 22 Cb 0.18 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.17 2cr7 h ILE 22 CO 0.04 0.00 0.01 -0.09 0.00 0.00 0.00 178.15 178.11 2cr7 h ARG 23 N -1.27 0.12 -1.34 2.37 9.65 -1.33 -0.36 114.38 122.22 2cr7 h ARG 23 Ca -0.12 -0.01 -0.50 0.00 -1.10 0.00 0.00 59.98 58.26 2cr7 h ARG 23 Cb 1.00 -0.03 -0.21 0.00 -1.39 0.00 0.00 29.97 29.35 2cr7 h ARG 23 CO 0.14 0.08 0.63 1.19 2.80 0.00 0.00 179.97 184.81 2cr7 n PHE 24 N -5.24 2.30 0.00 2.20 3.72 0.32 -4.73 117.46 116.03 2cr7 n PHE 24 Ca 0.07 -2.43 0.00 0.00 -0.05 0.00 0.00 57.45 55.04 2cr7 n PHE 24 Cb 0.29 -1.20 0.00 0.00 -0.94 0.00 0.00 39.48 37.64 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 -0.18 -2.76 1.55 1.37 0.00 -0.15 -2.09 105.19 102.93 2cr7 n GLY 25 Ca 0.45 0.26 -0.08 0.00 0.00 0.00 0.00 46.02 46.65 2cr7 n GLY 25 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cr7 n SER 26 N -2.38 4.68 -3.82 1.61 7.64 -1.26 -4.58 113.62 115.51 2cr7 n SER 26 Ca 0.00 -2.64 -0.28 0.00 1.01 0.00 0.00 58.87 56.96 2cr7 n SER 26 Cb 0.00 -0.85 -0.12 0.00 -1.01 0.00 0.00 64.21 62.23 2cr7 n SER 26 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2cr7 s ASP 27 N 0.64 4.24 0.10 6.43 1.11 -0.89 -4.93 116.67 123.37 2cr7 s ASP 27 Ca 0.17 -3.68 -0.15 0.00 0.18 0.00 0.00 52.55 49.07 2cr7 s ASP 27 Cb 0.14 -1.43 -0.08 0.00 1.07 0.00 0.00 42.92 42.62 2cr7 s ASP 27 CO 0.01 -0.11 1.42 1.55 1.18 0.00 0.00 175.17 179.23 2cr7 h PRO 28 N 5.49 0.70 -0.18 8.23 0.13 -1.81 -1.85 132.00 142.72 2cr7 h PRO 28 Ca 0.16 -0.37 0.05 0.00 -0.87 0.00 0.00 66.00 64.97 2cr7 h PRO 28 Cb 0.79 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.87 2cr7 h PRO 28 CO 0.66 0.98 -0.19 0.00 -0.23 0.00 0.00 178.00 179.22 2cr7 h ALA 29 N 0.71 -0.09 0.33 -0.56 0.00 -1.97 0.19 119.26 117.88 2cr7 h ALA 29 Ca 0.05 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2cr7 h ALA 29 Cb 0.86 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2cr7 h ALA 29 CO 0.07 -0.63 -0.16 1.15 0.00 0.00 0.00 179.25 179.68 2cr7 h THR 30 N -0.21 0.00 -1.17 0.00 2.02 -1.96 -2.94 112.91 108.64 2cr7 h THR 30 Ca 0.11 -0.25 0.39 0.00 0.77 0.00 0.00 66.41 67.43 2cr7 h THR 30 Cb 0.38 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.66 2cr7 h THR 30 CO -0.30 0.00 0.73 0.22 0.37 0.00 0.00 175.52 176.53 2cr7 h TYR 31 N -0.70 0.67 0.24 3.16 3.20 -1.34 0.27 116.97 122.47 2cr7 h TYR 31 Ca -0.05 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 2cr7 h TYR 31 Cb 0.34 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.45 2cr7 h TYR 31 CO 0.06 -0.20 -0.12 -0.91 -1.64 0.00 0.00 178.16 175.35 2cr7 h ASN 32 N 0.17 -0.28 -0.96 -2.11 2.35 -0.61 -2.77 115.58 111.37 2cr7 h ASN 32 Ca 0.78 -0.02 0.31 0.00 -0.55 0.00 0.00 56.30 56.81 2cr7 h ASN 32 Cb 2.19 0.07 -0.16 0.00 0.05 0.00 0.00 38.32 40.48 2cr7 h ASN 32 CO -0.49 -0.17 0.39 1.23 -1.65 0.00 0.00 177.43 176.75 2cr7 h GLY 33 N -0.36 1.78 0.84 2.83 0.00 -0.27 0.19 103.07 108.08 2cr7 h GLY 33 Ca -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 2cr7 h GLY 33 CO 0.05 -0.51 0.03 -2.75 0.00 0.00 0.00 176.54 173.36 2cr7 h PHE 34 N 0.19 0.16 0.03 5.60 3.04 -1.43 -1.96 116.94 122.57 2cr7 h PHE 34 Ca 0.68 -0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.64 2cr7 h PHE 34 Cb 1.55 -0.05 -0.05 0.00 2.56 0.00 0.00 35.95 39.96 2cr7 h PHE 34 CO -0.15 0.29 -0.42 -0.07 -2.02 0.00 0.00 178.31 175.94 2cr7 h LEU 35 N -0.02 -1.28 -0.28 0.59 3.38 -0.46 -1.81 115.31 115.44 2cr7 h LEU 35 Ca 0.03 0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.21 2cr7 h LEU 35 Cb 0.21 0.49 -0.06 0.00 0.09 0.00 0.00 40.66 41.39 2cr7 h LEU 35 CO -0.00 -0.47 -0.11 -0.33 0.09 0.00 0.00 178.44 177.62 2cr7 h GLU 36 N -0.59 -0.06 -0.49 1.13 5.08 -1.36 -1.96 114.58 116.32 2cr7 h GLU 36 Ca 0.04 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.48 2cr7 h GLU 36 Cb 0.66 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.83 2cr7 h GLU 36 CO -0.30 -0.04 -0.44 0.82 -1.00 0.00 0.00 179.01 178.05 2cr7 h ILE 37 N -0.06 0.09 -0.06 3.13 2.04 -0.84 -1.53 117.51 120.28 2cr7 h ILE 37 Ca 0.14 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.04 2cr7 h ILE 37 Cb 0.28 0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 36.40 2cr7 h ILE 37 CO -0.32 0.00 -0.23 0.24 0.00 0.00 0.00 178.15 177.84 2cr7 h MET 38 N -0.28 -0.32 -1.56 2.37 2.86 -0.95 -0.87 114.93 116.17 2cr7 h MET 38 Ca 0.15 0.02 0.49 0.00 -2.06 0.00 0.00 59.70 58.30 2cr7 h MET 38 Cb 0.57 0.07 -0.11 0.00 0.06 0.00 0.00 31.60 32.20 2cr7 h MET 38 CO -0.63 -0.21 1.07 0.87 1.06 0.00 0.00 176.91 179.06 2cr7 h LYS 39 N -0.33 0.03 -0.07 1.72 1.57 -0.53 0.70 116.57 119.66 2cr7 h LYS 39 Ca 0.08 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2cr7 h LYS 39 Cb 0.44 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 2cr7 h LYS 39 CO -0.25 0.02 0.02 0.93 -0.57 0.00 0.00 179.45 179.60 2cr7 h GLU 40 N 0.03 0.11 0.00 3.15 5.08 -0.74 -2.63 114.58 119.58 2cr7 h GLU 40 Ca 0.86 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 59.16 2cr7 h GLU 40 Cb 3.04 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 32.27 2cr7 h GLU 40 CO -0.25 0.26 -0.16 0.35 -1.00 0.00 0.00 179.01 178.21 2cr7 h PHE 41 N -0.07 0.00 0.00 4.33 3.04 0.37 0.76 116.94 125.37 2cr7 h PHE 41 Ca 0.02 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.97 2cr7 h PHE 41 Cb 0.20 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.71 2cr7 h PHE 41 CO -0.01 0.16 0.00 1.17 -2.02 0.00 0.00 178.31 177.62 2cr7 n LYS 42 N -3.86 0.03 -0.05 1.11 4.81 -0.70 -2.62 118.16 116.88 2cr7 n LYS 42 Ca -0.02 0.16 0.03 0.00 -0.87 0.00 0.00 58.31 57.61 2cr7 n LYS 42 Cb 0.26 -1.55 0.06 0.00 0.02 0.00 0.00 35.03 33.82 2cr7 n LYS 42 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2cr7 n SER 43 N -1.60 2.23 -1.79 3.14 7.64 -0.45 -4.97 113.62 117.82 2cr7 n SER 43 Ca 0.05 -2.33 -0.18 0.00 1.01 0.00 0.00 58.87 57.42 2cr7 n SER 43 Cb 0.26 -0.15 -0.03 0.00 -1.01 0.00 0.00 64.21 63.27 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 -0.68 -1.36 -0.00 1.43 6.02 -1.00 -4.89 117.38 116.89 2cr7 n GLN 44 Ca 0.06 0.97 -0.17 0.00 -0.01 0.00 0.00 57.00 57.85 2cr7 n GLN 44 Cb 0.39 -5.38 -0.12 0.00 1.02 0.00 0.00 30.24 26.16 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 0.00 0.38 -1.55 1.08 0.02 -1.16 -3.47 113.55 108.85 2cr7 h SER 45 Ca -0.40 -0.82 -0.54 0.00 -0.84 0.00 0.00 61.79 59.19 2cr7 h SER 45 Cb 1.26 -0.12 -0.06 0.00 0.14 0.00 0.00 62.40 63.62 2cr7 h SER 45 CO 0.52 1.16 -0.45 0.27 -1.14 0.00 0.00 176.83 177.19 2cr7 s ILE 46 N -2.95 2.43 0.49 3.27 -4.36 -1.24 -4.99 121.20 113.84 2cr7 s ILE 46 Ca -0.15 -1.56 0.07 0.00 -0.26 0.00 0.00 60.65 58.75 2cr7 s ILE 46 Cb 0.02 -2.99 0.02 0.00 1.25 0.00 0.00 42.46 40.75 2cr7 s ILE 46 CO 0.79 0.00 0.43 -1.81 0.24 0.00 0.00 174.94 174.59 2cr7 s ASP 47 N -3.99 4.85 0.15 4.36 1.01 -1.26 -4.72 116.67 117.07 2cr7 s ASP 47 Ca 0.44 -0.99 -0.30 0.00 0.71 0.00 0.00 52.55 52.41 2cr7 s ASP 47 Cb 0.01 -0.04 -0.04 0.00 1.01 0.00 0.00 42.92 43.87 2cr7 s ASP 47 CO 0.24 -0.93 1.55 0.74 0.21 0.00 0.00 175.17 176.99 2cr7 h THR 48 N 0.82 0.03 0.00 -1.27 2.02 -2.01 0.64 112.91 113.14 2cr7 h THR 48 Ca -0.38 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.80 2cr7 h THR 48 Cb 1.28 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 2cr7 h THR 48 CO 0.56 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.64 2cr7 n PRO 49 N -5.36 0.01 0.11 6.66 -0.04 -1.26 -2.81 135.00 132.30 2cr7 n PRO 49 Ca -0.00 0.25 -0.19 0.00 -0.04 0.00 0.00 63.50 63.52 2cr7 n PRO 49 Cb 0.33 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.14 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 0.41 2.00 0.55 0.00 -0.11 -2.94 103.07 105.42 2cr7 h GLY 50 Ca 0.00 -1.05 -0.10 0.00 0.00 0.00 0.00 47.33 46.18 2cr7 h GLY 50 CO 0.00 0.92 -0.48 -0.24 0.00 0.00 0.00 176.54 176.74 2cr7 h VAL 51 N 0.10 0.91 0.01 4.60 3.04 -1.15 -3.14 116.25 120.62 2cr7 h VAL 51 Ca -0.21 -2.03 -0.00 0.00 -1.01 0.00 0.00 66.70 63.45 2cr7 h VAL 51 Cb 2.05 2.26 0.00 0.00 -2.01 0.00 0.00 31.29 33.60 2cr7 h VAL 51 CO 0.22 0.47 -0.00 0.40 -1.01 0.00 0.00 177.57 177.64 2cr7 h ILE 52 N 0.00 1.56 -0.40 3.17 2.04 -1.64 -2.84 117.51 119.40 2cr7 h ILE 52 Ca -0.00 -1.80 0.10 0.00 1.00 0.00 0.00 64.86 64.16 2cr7 h ILE 52 Cb 1.23 2.77 -0.02 0.00 -0.74 0.00 0.00 36.82 40.05 2cr7 h ILE 52 CO 0.06 0.46 0.28 0.08 0.00 0.00 0.00 178.15 179.03 2cr7 h ARG 53 N -0.79 0.08 -0.16 2.37 0.11 -1.61 -1.00 114.38 113.38 2cr7 h ARG 53 Ca -0.00 -0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.87 2cr7 h ARG 53 Cb 0.76 -0.02 0.01 0.00 1.11 0.00 0.00 29.97 31.83 2cr7 h ARG 53 CO 0.00 0.05 -0.71 0.00 0.10 0.00 0.00 179.97 179.41 2cr7 h ARG 54 N 0.08 0.76 -0.08 0.08 2.47 -1.58 -3.09 114.38 113.03 2cr7 h ARG 54 Ca 0.19 -0.61 -0.05 0.00 -1.26 0.00 0.00 59.98 58.25 2cr7 h ARG 54 Cb 0.64 0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 29.07 2cr7 h ARG 54 CO -0.02 1.22 -0.20 0.28 0.56 0.00 0.00 179.97 181.81 2cr7 h VAL 55 N 0.48 1.18 0.16 2.04 2.07 -0.96 -2.64 116.25 118.59 2cr7 h VAL 55 Ca -0.04 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 2cr7 h VAL 55 Cb 1.35 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 2cr7 h VAL 55 CO 0.15 0.25 -0.08 -1.28 0.02 0.00 0.00 177.57 176.63 2cr7 h SER 56 N 0.12 -0.18 -0.71 0.57 0.87 -1.33 -2.88 113.55 110.01 2cr7 h SER 56 Ca 0.02 -0.21 0.06 0.00 -1.23 0.00 0.00 61.79 60.43 2cr7 h SER 56 Cb 0.42 0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 62.37 2cr7 h SER 56 CO 0.03 0.12 0.40 1.56 -0.53 0.00 0.00 176.83 178.41 2cr7 h GLN 57 N -0.50 0.71 -0.10 2.24 1.08 -1.45 -1.47 115.11 115.63 2cr7 h GLN 57 Ca -0.02 -0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.18 2cr7 h GLN 57 Cb 0.38 -0.16 -0.06 0.00 -0.05 0.00 0.00 27.48 27.59 2cr7 h GLN 57 CO 0.04 0.47 -0.35 1.25 -0.95 0.00 0.00 178.83 179.29 2cr7 h LEU 58 N 0.73 -1.07 -4.39 1.46 5.85 -1.42 -2.03 115.31 114.44 2cr7 h LEU 58 Ca 0.32 0.15 -0.70 0.00 0.84 0.00 0.00 57.88 58.49 2cr7 h LEU 58 Cb 0.20 0.45 -0.27 0.00 0.37 0.00 0.00 40.66 41.40 2cr7 h LEU 58 CO -0.19 -0.39 0.93 0.49 -0.34 0.00 0.00 178.44 178.95 2cr7 n PHE 59 N -5.42 3.05 0.32 1.25 3.72 -1.02 -4.65 117.46 114.71 2cr7 n PHE 59 Ca -0.04 -2.70 0.20 0.00 -0.05 0.00 0.00 57.45 54.86 2cr7 n PHE 59 Cb 0.34 -1.34 1.06 0.00 -0.94 0.00 0.00 39.48 38.61 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 2.40 0.00 0.00 1.38 2.07 -0.50 0.13 115.15 120.63 2cr7 h HIS 60 Ca 0.58 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.99 2cr7 h HIS 60 Cb 0.50 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.46 2cr7 h HIS 60 CO 1.32 0.00 -1.28 0.39 -3.07 0.00 0.00 177.93 175.29 2cr7 n GLU 61 N -3.13 0.62 -3.56 5.12 -0.58 -1.26 -4.58 120.64 113.27 2cr7 n GLU 61 Ca -0.02 0.18 -0.39 0.00 -0.42 0.00 0.00 57.16 56.50 2cr7 n GLU 61 Cb 0.18 -1.81 -0.05 0.00 -0.57 0.00 0.00 31.44 29.19 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 -3.09 3.83 0.16 -0.32 3.76 0.45 -4.88 115.29 115.21 2cr7 s HIS 62 Ca -0.02 -2.75 0.31 0.00 -0.15 0.00 0.00 55.06 52.45 2cr7 s HIS 62 Cb 0.09 -3.43 1.29 0.00 1.11 0.00 0.00 32.58 31.65 2cr7 s HIS 62 CO 0.81 -0.84 1.96 -1.00 -0.85 0.00 0.00 174.74 174.82 2cr7 h PRO 63 N 6.62 0.00 0.00 8.40 0.13 -1.81 -2.71 132.00 142.63 2cr7 h PRO 63 Ca 0.12 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.16 2cr7 h PRO 63 Cb 0.89 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 2cr7 h PRO 63 CO 0.83 0.08 -0.39 0.22 -0.23 0.00 0.00 178.00 178.51 2cr7 h ASP 64 N 0.00 0.00 0.05 1.44 3.58 -1.92 -2.94 116.42 116.64 2cr7 h ASP 64 Ca -0.00 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.28 2cr7 h ASP 64 Cb 0.54 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 2cr7 h ASP 64 CO 0.01 0.39 -0.88 -0.07 -2.88 0.00 0.00 179.24 175.81 2cr7 h LEU 65 N 0.00 0.18 -0.49 2.28 3.38 -1.85 -3.23 115.31 115.57 2cr7 h LEU 65 Ca -0.00 -0.82 0.10 0.00 0.09 0.00 0.00 57.88 57.25 2cr7 h LEU 65 Cb 0.90 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.51 2cr7 h LEU 65 CO 0.05 1.37 -0.03 0.40 0.09 0.00 0.00 178.44 180.32 2cr7 h ILE 66 N -0.70 0.59 -0.56 1.22 2.04 -1.56 0.05 117.51 118.58 2cr7 h ILE 66 Ca -0.21 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 65.65 2cr7 h ILE 66 Cb 1.40 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 2cr7 h ILE 66 CO -0.02 0.02 0.35 0.58 0.00 0.00 0.00 178.15 179.07 2cr7 h VAL 67 N 0.08 1.08 0.00 1.67 2.07 -1.68 -1.36 116.25 118.12 2cr7 h VAL 67 Ca 0.25 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.53 2cr7 h VAL 67 Cb 0.37 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2cr7 h VAL 67 CO -0.44 0.13 0.00 1.23 0.02 0.00 0.00 177.57 178.51 2cr7 h GLY 68 N 0.69 0.00 0.43 2.17 0.00 -1.27 -2.62 103.07 102.47 2cr7 h GLY 68 Ca 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.55 2cr7 h GLY 68 CO -0.08 0.00 -0.01 -2.75 0.00 0.00 0.00 176.54 173.70 2cr7 h PHE 69 N 0.00 0.02 -0.26 5.60 3.04 0.13 -0.09 116.94 125.38 2cr7 h PHE 69 Ca 0.00 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.92 2cr7 h PHE 69 Cb 0.36 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.86 2cr7 h PHE 69 CO 0.00 0.59 0.05 -0.91 -2.02 0.00 0.00 178.31 176.02 2cr7 h ASN 70 N -0.56 0.40 -0.29 0.41 2.35 -1.39 -0.01 115.58 116.50 2cr7 h ASN 70 Ca 0.00 -0.25 -0.02 0.00 -0.55 0.00 0.00 56.30 55.47 2cr7 h ASN 70 Cb 0.59 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 2cr7 h ASN 70 CO 0.00 0.55 0.08 0.00 -1.65 0.00 0.00 177.43 176.41 2cr7 h ALA 71 N 0.87 0.37 0.55 -0.83 0.00 -1.56 -3.29 119.26 115.37 2cr7 h ALA 71 Ca 0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2cr7 h ALA 71 Cb 0.32 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.00 2cr7 h ALA 71 CO 0.00 0.02 -0.27 0.35 0.00 0.00 0.00 179.25 179.36 2cr7 h PHE 72 N 0.30 -0.69 -0.67 0.00 3.57 -0.96 -3.45 116.94 115.04 2cr7 h PHE 72 Ca 0.09 -0.02 -0.48 0.00 3.53 0.00 0.00 57.97 61.10 2cr7 h PHE 72 Cb 0.26 0.23 0.06 0.00 2.79 0.00 0.00 35.95 39.29 2cr7 h PHE 72 CO 0.01 -0.43 -0.22 -0.11 -2.23 0.00 0.00 178.31 175.33 2cr7 n LEU 73 N -4.25 -0.55 -4.75 0.59 0.00 -0.02 -4.82 117.00 103.20 2cr7 n LEU 73 Ca -0.09 0.76 -0.41 0.00 0.00 0.00 0.00 56.01 56.27 2cr7 n LEU 73 Cb 0.29 -0.63 -0.03 0.00 0.00 0.00 0.00 43.42 43.05 2cr7 n LEU 73 CO 0.22 -1.75 0.95 -2.16 0.00 0.00 0.00 177.39 174.64 2cr7 s PRO 74 N -0.44 4.43 -0.46 1.96 0.04 -1.26 -4.95 135.00 134.31 2cr7 s PRO 74 Ca 0.49 2.05 -0.23 0.00 0.04 0.00 0.00 61.00 63.35 2cr7 s PRO 74 Cb -0.70 -3.16 0.03 0.00 0.04 0.00 0.00 34.50 30.71 2cr7 s PRO 74 CO 0.38 -0.15 0.81 -1.12 0.04 0.00 0.00 177.00 176.96 2cr7 s SER 75 N -0.12 6.40 0.25 6.66 0.01 -1.26 -5.04 113.70 120.60 2cr7 s SER 75 Ca 0.52 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.63 2cr7 s SER 75 Cb -0.36 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.47 2cr7 s SER 75 CO 0.43 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.73 2cr7 n GLY 76 N 5.00 -2.92 3.77 3.44 0.00 -1.26 -4.95 105.19 108.27 2cr7 n GLY 76 Ca 0.02 -1.29 -0.39 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.76 4.22 0.37 1.61 0.04 -1.26 -5.04 135.00 134.19 2cr7 s PRO 77 Ca 0.00 1.96 -0.03 0.00 0.04 0.00 0.00 61.00 62.97 2cr7 s PRO 77 Cb 0.00 -2.87 -0.04 0.00 0.04 0.00 0.00 34.50 31.62 2cr7 s PRO 77 CO 0.00 -0.21 0.62 -1.54 0.04 0.00 0.00 177.00 175.91 2cr7 s SER 78 N -0.88 6.34 0.02 6.66 1.04 -1.26 -5.04 113.70 120.58 2cr7 s SER 78 Ca 0.53 0.69 -0.05 0.00 0.48 0.00 0.00 55.95 57.60 2cr7 s SER 78 Cb -0.34 -2.14 -0.02 0.00 0.10 0.00 0.00 66.02 63.63 2cr7 s SER 78 CO 0.44 -0.35 -0.09 -0.24 0.98 0.00 0.00 173.24 173.98 2cr7 n SER 79 N -1.64 1.23 0.00 7.02 2.88 -1.26 -5.34 113.62 116.51 2cr7 n SER 79 Ca -0.02 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 2cr7 n SER 79 Cb 0.55 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 2cr7 n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42