#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 -0.75 -0.14 1.61 1.04 -1.26 -5.13 113.70 109.07 2cr7 s SER 2 Ca 0.00 1.06 -0.29 0.00 0.48 0.00 0.00 55.95 57.20 2cr7 s SER 2 Cb 0.00 1.74 -0.04 0.00 0.10 0.00 0.00 66.02 67.82 2cr7 s SER 2 CO 0.00 -0.15 1.60 -0.55 0.98 0.00 0.00 173.24 175.12 2cr7 s SER 3 N 2.33 6.54 0.00 7.02 0.15 -1.26 -4.93 113.70 123.55 2cr7 s SER 3 Ca -0.05 1.89 0.00 0.00 0.70 0.00 0.00 55.95 58.49 2cr7 s SER 3 Cb -0.07 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2cr7 s SER 3 CO -0.18 -1.08 0.00 0.61 1.20 0.00 0.00 173.24 173.80 2cr7 n GLY 4 N 4.34 1.17 3.01 9.45 0.00 -1.26 -5.13 105.19 116.77 2cr7 n GLY 4 Ca 0.18 0.29 -0.31 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 4.62 0.41 1.61 0.01 -1.26 -5.11 113.70 113.98 2cr7 s SER 5 Ca 0.00 -1.93 -0.09 0.00 1.31 0.00 0.00 55.95 55.24 2cr7 s SER 5 Cb 0.00 -1.54 -0.06 0.00 0.21 0.00 0.00 66.02 64.63 2cr7 s SER 5 CO 0.00 -0.34 0.75 -0.44 0.41 0.00 0.00 173.24 173.62 2cr7 s SER 6 N 1.01 6.46 0.00 2.44 0.01 -1.26 -4.84 113.70 117.52 2cr7 s SER 6 Ca 0.06 1.05 0.00 0.00 1.31 0.00 0.00 55.95 58.37 2cr7 s SER 6 Cb -0.19 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2cr7 s SER 6 CO -0.08 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 173.76 2cr7 n GLY 7 N -1.46 -1.10 3.31 3.44 0.00 -1.26 -5.07 105.19 103.05 2cr7 n GLY 7 Ca 0.02 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.01 3.66 0.81 1.61 -7.23 -1.26 -5.10 120.40 112.88 2cr7 s VAL 8 Ca 0.00 -0.74 -0.12 0.00 -1.81 0.00 0.00 61.98 59.31 2cr7 s VAL 8 Cb 0.00 -2.86 0.09 0.00 0.56 0.00 0.00 36.38 34.17 2cr7 s VAL 8 CO 0.00 0.15 1.17 -1.00 -0.31 0.00 0.00 175.10 175.11 2cr7 s HIS 9 N 1.46 1.90 0.00 2.82 3.76 -1.26 -4.92 115.29 119.05 2cr7 s HIS 9 Ca 0.02 1.68 0.00 0.00 -0.15 0.00 0.00 55.06 56.61 2cr7 s HIS 9 Cb -0.17 -3.38 0.00 0.00 1.11 0.00 0.00 32.58 30.14 2cr7 s HIS 9 CO 0.00 -2.64 0.59 1.33 -0.85 0.00 0.00 174.74 173.17 2cr7 n VAL 10 N -3.45 0.00 -1.55 -0.90 0.24 -1.26 -3.15 118.33 108.26 2cr7 n VAL 10 Ca 0.12 0.99 -0.13 0.00 -2.04 0.00 0.00 64.34 63.28 2cr7 n VAL 10 Cb 0.51 -1.39 -0.10 0.00 -1.47 0.00 0.00 33.84 31.39 2cr7 n VAL 10 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2cr7 n GLU 11 N -1.82 0.21 -2.55 7.34 2.13 -1.26 -4.63 120.64 120.07 2cr7 n GLU 11 Ca 0.00 -1.36 -0.18 0.00 0.66 0.00 0.00 57.16 56.28 2cr7 n GLU 11 Cb 0.00 -3.70 0.02 0.00 0.27 0.00 0.00 31.44 28.03 2cr7 n GLU 11 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 2cr7 n ASP 12 N 18.77 3.21 -0.06 4.31 5.68 -1.19 -4.87 116.55 142.40 2cr7 n ASP 12 Ca 0.41 -3.21 -0.06 0.00 -0.50 0.00 0.00 54.79 51.43 2cr7 n ASP 12 Cb 0.45 -0.48 -0.02 0.00 -1.14 0.00 0.00 41.12 39.93 2cr7 n ASP 12 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2cr7 n ALA 13 N -0.33 0.55 -0.05 2.12 0.00 -1.26 -4.50 120.51 117.04 2cr7 n ALA 13 Ca 0.25 -0.60 0.23 0.00 0.00 0.00 0.00 53.44 53.32 2cr7 n ALA 13 Cb 0.75 0.02 0.71 0.00 0.00 0.00 0.00 19.45 20.93 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 -0.63 0.00 -0.51 0.00 8.10 -2.00 -2.57 115.31 117.70 2cr7 h LEU 14 Ca 0.00 0.00 0.06 0.00 0.11 0.00 0.00 57.88 58.05 2cr7 h LEU 14 Cb 0.63 0.00 -0.09 0.00 -0.44 0.00 0.00 40.66 40.76 2cr7 h LEU 14 CO 0.00 0.00 -0.55 0.74 -4.11 0.00 0.00 178.44 174.52 2cr7 h THR 15 N 0.00 0.00 0.00 0.15 2.02 -1.90 0.25 112.91 113.42 2cr7 h THR 15 Ca 0.30 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.43 2cr7 h THR 15 Cb 1.23 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 2cr7 h THR 15 CO -0.00 0.00 -0.24 0.22 0.37 0.00 0.00 175.52 175.87 2cr7 h TYR 16 N -0.31 0.00 0.66 3.16 5.03 -1.71 -3.03 116.97 120.76 2cr7 h TYR 16 Ca 0.09 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.37 2cr7 h TYR 16 Cb 0.55 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.82 2cr7 h TYR 16 CO -0.79 0.24 -0.41 1.25 -1.32 0.00 0.00 178.16 177.13 2cr7 h LEU 17 N 0.00 -1.05 -0.42 2.82 7.12 -0.52 -2.86 115.31 120.41 2cr7 h LEU 17 Ca -0.00 0.06 0.08 0.00 0.13 0.00 0.00 57.88 58.15 2cr7 h LEU 17 Cb 0.45 0.31 -0.08 0.00 -0.53 0.00 0.00 40.66 40.81 2cr7 h LEU 17 CO 0.03 -0.63 -0.11 -0.78 -0.13 0.00 0.00 178.44 176.83 2cr7 h ASP 18 N -1.00 -0.39 -0.96 1.25 3.58 -1.13 -1.43 116.42 116.33 2cr7 h ASP 18 Ca -0.09 0.13 0.26 0.00 0.42 0.00 0.00 57.03 57.75 2cr7 h ASP 18 Cb 0.81 0.26 -0.18 0.00 1.72 0.00 0.00 39.33 41.94 2cr7 h ASP 18 CO 0.08 -0.14 0.02 1.56 -2.88 0.00 0.00 179.24 177.89 2cr7 h GLN 19 N -0.00 0.02 -1.00 0.28 1.08 -1.42 1.05 115.11 115.12 2cr7 h GLN 19 Ca 0.20 -0.00 0.11 0.00 -1.45 0.00 0.00 58.65 57.51 2cr7 h GLN 19 Cb 0.31 -0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 27.65 2cr7 h GLN 19 CO -0.44 0.02 0.63 0.28 -0.95 0.00 0.00 178.83 178.37 2cr7 h VAL 20 N 0.03 0.95 -0.21 -0.54 2.07 -1.03 -0.17 116.25 117.35 2cr7 h VAL 20 Ca 0.58 -0.35 -0.07 0.00 0.82 0.00 0.00 66.70 67.68 2cr7 h VAL 20 Cb 1.16 -0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2cr7 h VAL 20 CO -0.89 0.18 -0.15 0.50 0.02 0.00 0.00 177.57 177.23 2cr7 h LYS 21 N 1.01 0.46 0.19 1.57 3.64 0.11 -1.85 116.57 121.71 2cr7 h LYS 21 Ca 0.48 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2cr7 h LYS 21 Cb 0.44 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2cr7 h LYS 21 CO -0.24 0.78 -0.14 0.82 -2.27 0.00 0.00 179.45 178.40 2cr7 h ILE 22 N 0.15 0.70 -0.48 2.00 2.04 -0.48 -1.09 117.51 120.34 2cr7 h ILE 22 Ca 0.04 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.93 2cr7 h ILE 22 Cb 0.67 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 2cr7 h ILE 22 CO 0.04 0.00 0.28 0.03 0.00 0.00 0.00 178.15 178.50 2cr7 h ARG 23 N -0.33 0.53 -1.62 2.37 2.47 -1.10 -2.52 114.38 114.18 2cr7 h ARG 23 Ca -0.01 -0.03 -0.65 0.00 -1.26 0.00 0.00 59.98 58.02 2cr7 h ARG 23 Cb 0.29 -0.12 -0.25 0.00 -1.65 0.00 0.00 29.97 28.24 2cr7 h ARG 23 CO -0.00 0.35 0.84 1.19 0.56 0.00 0.00 179.97 182.91 2cr7 n PHE 24 N -4.83 2.71 0.12 3.04 3.72 -0.69 -4.65 117.46 116.87 2cr7 n PHE 24 Ca 0.03 -2.47 -0.12 0.00 -0.05 0.00 0.00 57.45 54.84 2cr7 n PHE 24 Cb 0.09 -1.28 -0.08 0.00 -0.94 0.00 0.00 39.48 37.27 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 2.76 -0.37 2.00 1.37 0.00 -0.74 -3.13 103.07 104.96 2cr7 h GLY 25 Ca 0.53 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.99 2cr7 h GLY 25 CO 1.34 -0.13 0.00 -1.26 0.00 0.00 0.00 176.54 176.49 2cr7 n SER 26 N -5.05 0.30 -3.92 0.19 2.88 -1.26 -4.05 113.62 102.70 2cr7 n SER 26 Ca -0.09 0.56 -0.29 0.00 -1.33 0.00 0.00 58.87 57.73 2cr7 n SER 26 Cb 0.26 -0.63 -0.12 0.00 -0.75 0.00 0.00 64.21 62.97 2cr7 n SER 26 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2cr7 s ASP 27 N -3.57 4.83 0.36 -3.46 -1.08 -1.18 -4.91 116.67 107.66 2cr7 s ASP 27 Ca 0.08 -3.73 0.15 0.00 -0.52 0.00 0.00 52.55 48.53 2cr7 s ASP 27 Cb 0.11 -1.66 0.69 0.00 -1.46 0.00 0.00 42.92 40.60 2cr7 s ASP 27 CO 0.38 -0.11 1.77 1.55 0.52 0.00 0.00 175.17 179.28 2cr7 h PRO 28 N 5.60 0.00 -0.94 4.34 0.13 -1.70 -3.08 132.00 136.34 2cr7 h PRO 28 Ca 0.11 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.33 2cr7 h PRO 28 Cb 0.78 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.84 2cr7 h PRO 28 CO 0.72 0.41 0.60 0.00 -0.23 0.00 0.00 178.00 179.51 2cr7 h ALA 29 N 1.59 1.55 -0.13 -0.56 0.00 -1.91 -0.64 119.26 119.17 2cr7 h ALA 29 Ca -0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2cr7 h ALA 29 Cb 0.80 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2cr7 h ALA 29 CO 0.05 0.26 -0.07 1.15 0.00 0.00 0.00 179.25 180.65 2cr7 h THR 30 N 0.98 1.32 -0.43 0.00 2.02 -1.89 -3.09 112.91 111.83 2cr7 h THR 30 Ca 0.43 -1.13 0.03 0.00 0.77 0.00 0.00 66.41 66.51 2cr7 h THR 30 Cb 0.35 1.80 -0.03 0.00 -1.74 0.00 0.00 68.15 68.53 2cr7 h THR 30 CO -0.19 0.33 0.23 0.22 0.37 0.00 0.00 175.52 176.48 2cr7 h TYR 31 N -0.08 0.43 -0.10 3.16 3.20 -1.48 -2.97 116.97 119.12 2cr7 h TYR 31 Ca 0.03 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.94 2cr7 h TYR 31 Cb 0.55 -0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.62 2cr7 h TYR 31 CO 0.07 0.23 -0.54 -0.91 -1.64 0.00 0.00 178.16 175.38 2cr7 h ASN 32 N 0.46 -1.70 -1.02 -2.11 2.35 -1.14 -0.52 115.58 111.90 2cr7 h ASN 32 Ca 0.18 0.20 0.29 0.00 -0.55 0.00 0.00 56.30 56.42 2cr7 h ASN 32 Cb 0.05 0.66 -0.13 0.00 0.05 0.00 0.00 38.32 38.95 2cr7 h ASN 32 CO -0.11 -0.49 0.60 1.23 -1.65 0.00 0.00 177.43 177.02 2cr7 h GLY 33 N -0.60 1.89 0.98 2.83 0.00 -1.44 0.18 103.07 106.91 2cr7 h GLY 33 Ca 0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 2cr7 h GLY 33 CO -0.41 -0.36 0.25 -2.75 0.00 0.00 0.00 176.54 173.27 2cr7 h PHE 34 N 0.42 0.61 -0.72 5.60 3.04 -0.97 -1.82 116.94 123.10 2cr7 h PHE 34 Ca 0.69 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.74 2cr7 h PHE 34 Cb 1.54 -0.20 -0.08 0.00 2.56 0.00 0.00 35.95 39.77 2cr7 h PHE 34 CO -0.01 0.45 0.33 -0.07 -2.02 0.00 0.00 178.31 176.99 2cr7 h LEU 35 N 0.59 0.39 -0.25 0.59 3.38 -0.03 -1.86 115.31 118.12 2cr7 h LEU 35 Ca 0.16 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 2cr7 h LEU 35 Cb 0.03 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2cr7 h LEU 35 CO -0.03 0.20 0.02 -0.33 0.09 0.00 0.00 178.44 178.40 2cr7 h GLU 36 N 0.54 0.42 -0.72 1.13 4.39 -1.21 -3.00 114.58 116.13 2cr7 h GLU 36 Ca 0.37 -0.12 0.16 0.00 0.34 0.00 0.00 59.36 60.11 2cr7 h GLU 36 Cb 0.46 -0.04 -0.11 0.00 -0.10 0.00 0.00 28.75 28.95 2cr7 h GLU 36 CO -0.31 0.57 0.11 0.82 -1.16 0.00 0.00 179.01 179.03 2cr7 h ILE 37 N 0.21 0.47 0.23 3.13 2.04 -0.54 -1.42 117.51 121.64 2cr7 h ILE 37 Ca 0.07 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 2cr7 h ILE 37 Cb 0.36 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 2cr7 h ILE 37 CO 0.01 0.04 -0.19 0.24 0.00 0.00 0.00 178.15 178.25 2cr7 h MET 38 N 0.20 -0.41 -0.97 2.37 2.86 -1.33 -2.82 114.93 114.82 2cr7 h MET 38 Ca 0.40 0.03 0.18 0.00 -2.06 0.00 0.00 59.70 58.25 2cr7 h MET 38 Cb 0.69 0.09 -0.18 0.00 0.06 0.00 0.00 31.60 32.27 2cr7 h MET 38 CO -0.55 -0.28 -0.28 1.63 1.06 0.00 0.00 176.91 178.49 2cr7 n LYS 39 N -5.31 -0.13 -0.24 1.72 5.02 -0.55 0.30 118.16 118.97 2cr7 n LYS 39 Ca -0.08 1.50 -0.01 0.00 -2.02 0.00 0.00 58.31 57.70 2cr7 n LYS 39 Cb 0.23 -2.24 0.06 0.00 -0.02 0.00 0.00 35.03 33.05 2cr7 n LYS 39 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2cr7 h GLU 40 N 0.00 -0.05 -0.50 1.97 5.08 -1.30 0.15 114.58 119.94 2cr7 h GLU 40 Ca 0.42 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.72 2cr7 h GLU 40 Cb 0.67 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 2cr7 h GLU 40 CO -0.99 -0.03 0.03 0.35 -1.00 0.00 0.00 179.01 177.38 2cr7 h PHE 41 N -0.05 0.93 0.00 4.33 3.04 -0.20 -1.01 116.94 123.98 2cr7 h PHE 41 Ca 0.31 -0.15 0.00 0.00 3.98 0.00 0.00 57.97 62.12 2cr7 h PHE 41 Cb 0.54 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 38.80 2cr7 h PHE 41 CO -0.60 0.86 0.00 1.63 -2.02 0.00 0.00 178.31 178.18 2cr7 n LYS 42 N -4.36 0.06 -0.37 1.11 5.02 0.16 -1.24 118.16 118.54 2cr7 n LYS 42 Ca 0.01 0.28 0.07 0.00 -2.02 0.00 0.00 58.31 56.66 2cr7 n LYS 42 Cb 0.29 -1.50 0.23 0.00 -0.02 0.00 0.00 35.03 34.03 2cr7 n LYS 42 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2cr7 n SER 43 N -1.41 3.62 -2.97 4.39 2.88 0.29 -4.95 113.62 115.47 2cr7 n SER 43 Ca 0.03 -2.61 -0.22 0.00 -1.33 0.00 0.00 58.87 54.74 2cr7 n SER 43 Cb 0.09 -0.43 0.02 0.00 -0.75 0.00 0.00 64.21 63.14 2cr7 n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2cr7 n GLN 44 N -0.02 -3.96 -0.07 -1.46 6.02 -0.38 -4.87 117.38 112.64 2cr7 n GLN 44 Ca 0.18 0.80 -0.21 0.00 -0.01 0.00 0.00 57.00 57.76 2cr7 n GLN 44 Cb 0.73 -5.58 -0.13 0.00 1.02 0.00 0.00 30.24 26.28 2cr7 n GLN 44 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2cr7 n SER 45 N -2.35 2.03 -4.60 1.08 7.64 -0.45 -5.00 113.62 111.97 2cr7 n SER 45 Ca -0.11 0.10 -0.27 0.00 1.01 0.00 0.00 58.87 59.60 2cr7 n SER 45 Cb 0.61 -0.69 -0.11 0.00 -1.01 0.00 0.00 64.21 63.01 2cr7 n SER 45 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2cr7 s ILE 46 N -2.52 1.97 0.53 0.44 -4.36 -1.23 -4.98 121.20 111.04 2cr7 s ILE 46 Ca -0.29 -2.03 0.02 0.00 -0.26 0.00 0.00 60.65 58.09 2cr7 s ILE 46 Cb 0.08 -2.94 0.02 0.00 1.25 0.00 0.00 42.46 40.88 2cr7 s ILE 46 CO 0.66 -0.03 0.18 0.47 0.24 0.00 0.00 174.94 176.47 2cr7 n ASP 47 N -0.92 3.14 -0.20 4.36 8.00 -1.26 -4.66 116.55 125.01 2cr7 n ASP 47 Ca -0.05 -3.10 -0.11 0.00 0.71 0.00 0.00 54.79 52.25 2cr7 n ASP 47 Cb 0.66 0.18 -0.07 0.00 -0.02 0.00 0.00 41.12 41.88 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 1.00 0.04 0.00 -3.53 2.02 -2.00 0.70 112.91 111.15 2cr7 h THR 48 Ca -0.39 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.79 2cr7 h THR 48 Cb 1.29 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 2cr7 h THR 48 CO 0.64 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.72 2cr7 n PRO 49 N -5.38 0.24 -0.02 6.66 -0.04 -1.26 -2.74 135.00 132.47 2cr7 n PRO 49 Ca -0.00 0.13 -0.16 0.00 -0.04 0.00 0.00 63.50 63.43 2cr7 n PRO 49 Cb 0.34 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.16 2cr7 n PRO 49 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2cr7 n GLY 50 N -0.03 -0.74 0.16 0.55 0.00 0.23 -3.95 105.19 101.41 2cr7 n GLY 50 Ca 0.08 -0.19 0.02 0.00 0.00 0.00 0.00 46.02 45.93 2cr7 n GLY 50 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2cr7 h VAL 51 N 0.04 1.09 -0.43 1.61 3.04 -0.96 -3.16 116.25 117.47 2cr7 h VAL 51 Ca -0.39 -1.93 -0.12 0.00 -1.01 0.00 0.00 66.70 63.25 2cr7 h VAL 51 Cb 2.03 2.13 -0.01 0.00 -2.01 0.00 0.00 31.29 33.43 2cr7 h VAL 51 CO 0.07 0.50 -0.21 0.40 -1.01 0.00 0.00 177.57 177.32 2cr7 h ILE 52 N 0.00 1.27 -0.70 3.17 2.04 -1.71 -2.12 117.51 119.46 2cr7 h ILE 52 Ca -0.01 -1.34 0.07 0.00 1.00 0.00 0.00 64.86 64.59 2cr7 h ILE 52 Cb 1.09 1.16 -0.06 0.00 -0.74 0.00 0.00 36.82 38.26 2cr7 h ILE 52 CO 0.07 0.45 0.39 -0.09 0.00 0.00 0.00 178.15 178.97 2cr7 h ARG 53 N 0.75 0.68 -0.09 2.37 2.43 -1.67 0.26 114.38 119.10 2cr7 h ARG 53 Ca 0.10 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 2cr7 h ARG 53 Cb 0.74 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2cr7 h ARG 53 CO 0.06 0.45 -0.14 0.00 -1.51 0.00 0.00 179.97 178.82 2cr7 h ARG 54 N 0.70 0.26 0.00 0.20 2.47 -1.62 -3.23 114.38 113.16 2cr7 h ARG 54 Ca 0.32 -0.16 0.03 0.00 -1.26 0.00 0.00 59.98 58.91 2cr7 h ARG 54 Cb 0.23 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.52 2cr7 h ARG 54 CO -0.20 0.73 -0.23 0.28 0.56 0.00 0.00 179.97 181.10 2cr7 h VAL 55 N -0.18 0.46 -0.75 2.04 2.07 -1.03 -1.79 116.25 117.07 2cr7 h VAL 55 Ca 0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.62 2cr7 h VAL 55 Cb 0.70 0.46 -0.11 0.00 -1.52 0.00 0.00 31.29 30.81 2cr7 h VAL 55 CO 0.03 0.00 -0.51 -1.28 0.02 0.00 0.00 177.57 175.83 2cr7 h SER 56 N -0.37 -1.81 -0.79 0.57 0.87 -1.02 0.32 113.55 111.31 2cr7 h SER 56 Ca 0.06 0.28 0.08 0.00 -1.23 0.00 0.00 61.79 60.99 2cr7 h SER 56 Cb 0.45 0.81 -0.07 0.00 -0.44 0.00 0.00 62.40 63.15 2cr7 h SER 56 CO -0.21 -0.31 0.46 1.56 -0.53 0.00 0.00 176.83 177.80 2cr7 h GLN 57 N -0.15 0.77 0.83 2.24 1.08 -1.51 -0.35 115.11 118.01 2cr7 h GLN 57 Ca 0.17 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.29 2cr7 h GLN 57 Cb 0.52 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 2cr7 h GLN 57 CO -0.80 0.51 -0.43 1.25 -0.95 0.00 0.00 178.83 178.40 2cr7 h LEU 58 N 0.79 -1.05 -3.13 1.46 5.85 0.35 -2.78 115.31 116.79 2cr7 h LEU 58 Ca 0.37 0.04 -0.22 0.00 0.84 0.00 0.00 57.88 58.92 2cr7 h LEU 58 Cb 0.30 0.28 -0.10 0.00 0.37 0.00 0.00 40.66 41.51 2cr7 h LEU 58 CO -0.23 -0.71 0.28 0.49 -0.34 0.00 0.00 178.44 177.93 2cr7 n PHE 59 N -5.22 1.10 -0.26 1.25 3.72 0.63 -4.47 117.46 114.22 2cr7 n PHE 59 Ca -0.14 -1.46 0.07 0.00 -0.05 0.00 0.00 57.45 55.86 2cr7 n PHE 59 Cb 0.47 -0.72 0.31 0.00 -0.94 0.00 0.00 39.48 38.60 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 1.02 0.90 -0.01 1.38 2.07 -0.76 0.29 115.15 120.03 2cr7 h HIS 60 Ca 0.21 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.76 2cr7 h HIS 60 Cb 1.17 -0.29 0.00 0.00 2.57 0.00 0.00 27.41 30.86 2cr7 h HIS 60 CO 0.62 0.43 0.00 0.39 -3.07 0.00 0.00 177.93 176.30 2cr7 n GLU 61 N -4.51 1.11 -3.57 5.12 -0.58 -1.26 -4.31 120.64 112.64 2cr7 n GLU 61 Ca 0.14 -0.17 -0.28 0.00 -0.42 0.00 0.00 57.16 56.43 2cr7 n GLU 61 Cb 0.28 -1.48 -0.11 0.00 -0.57 0.00 0.00 31.44 29.56 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 -2.00 1.80 0.23 -0.32 3.76 0.10 -4.95 115.29 113.91 2cr7 s HIS 62 Ca 0.45 -2.52 0.22 0.00 -0.15 0.00 0.00 55.06 53.06 2cr7 s HIS 62 Cb 0.21 -1.51 0.96 0.00 1.11 0.00 0.00 32.58 33.35 2cr7 s HIS 62 CO 0.35 -0.75 1.86 -1.00 -0.85 0.00 0.00 174.74 174.34 2cr7 h PRO 63 N 5.90 0.00 -0.14 8.40 0.13 -1.75 -2.77 132.00 141.77 2cr7 h PRO 63 Ca 0.17 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.19 2cr7 h PRO 63 Cb 0.88 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 2cr7 h PRO 63 CO 0.46 0.26 -0.39 -0.44 -0.23 0.00 0.00 178.00 177.66 2cr7 h ASP 64 N 0.00 0.31 0.12 1.44 3.32 -1.92 -2.65 116.42 117.03 2cr7 h ASP 64 Ca -0.00 -0.13 -0.19 0.00 0.02 0.00 0.00 57.03 56.73 2cr7 h ASP 64 Cb 0.69 -0.09 0.02 0.00 0.22 0.00 0.00 39.33 40.17 2cr7 h ASP 64 CO 0.03 0.68 -0.80 -0.07 -1.72 0.00 0.00 179.24 177.36 2cr7 h LEU 65 N 0.25 0.50 -0.82 1.55 3.38 -1.87 -1.78 115.31 116.53 2cr7 h LEU 65 Ca 0.03 -0.91 0.10 0.00 0.09 0.00 0.00 57.88 57.19 2cr7 h LEU 65 Cb 0.80 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.31 2cr7 h LEU 65 CO 0.06 1.37 0.46 0.40 0.09 0.00 0.00 178.44 180.83 2cr7 h ILE 66 N -0.28 0.88 0.05 1.22 2.04 -1.48 -1.36 117.51 118.58 2cr7 h ILE 66 Ca -0.13 -0.26 -0.18 0.00 1.00 0.00 0.00 64.86 65.29 2cr7 h ILE 66 Cb 1.60 0.05 0.02 0.00 -0.74 0.00 0.00 36.82 37.75 2cr7 h ILE 66 CO 0.15 0.14 -0.73 0.58 0.00 0.00 0.00 178.15 178.29 2cr7 h VAL 67 N 0.76 1.44 -0.59 1.67 2.07 -1.57 -3.30 116.25 116.73 2cr7 h VAL 67 Ca 0.40 -2.26 0.12 0.00 0.82 0.00 0.00 66.70 65.78 2cr7 h VAL 67 Cb 0.40 2.79 -0.09 0.00 -1.52 0.00 0.00 31.29 32.87 2cr7 h VAL 67 CO -0.26 0.65 0.08 1.23 0.02 0.00 0.00 177.57 179.30 2cr7 h GLY 68 N -0.14 0.72 0.33 2.17 0.00 -0.89 -2.52 103.07 102.73 2cr7 h GLY 68 Ca -0.11 0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.24 2cr7 h GLY 68 CO 0.14 -0.14 -0.47 -2.75 0.00 0.00 0.00 176.54 173.32 2cr7 h PHE 69 N 0.21 -1.33 -0.43 5.60 3.57 -1.37 0.23 116.94 123.42 2cr7 h PHE 69 Ca 0.31 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.88 2cr7 h PHE 69 Cb 0.48 0.55 -0.05 0.00 2.79 0.00 0.00 35.95 39.72 2cr7 h PHE 69 CO -0.28 -0.59 -0.26 0.09 -2.23 0.00 0.00 178.31 175.05 2cr7 n ASN 70 N -5.50 -0.46 0.03 0.41 3.02 -0.96 -0.32 115.26 111.48 2cr7 n ASN 70 Ca -0.09 1.12 -0.12 0.00 -0.03 0.00 0.00 54.58 55.46 2cr7 n ASN 70 Cb 0.41 -0.27 -0.07 0.00 -0.61 0.00 0.00 39.78 39.24 2cr7 n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2cr7 h ALA 71 N -0.13 0.00 -0.86 5.41 0.00 -1.46 -3.02 119.26 119.20 2cr7 h ALA 71 Ca 0.07 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.10 2cr7 h ALA 71 Cb 0.18 -0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.81 2cr7 h ALA 71 CO -0.41 -0.46 -0.28 0.35 0.00 0.00 0.00 179.25 178.45 2cr7 h PHE 72 N -0.08 -0.70 -0.71 0.00 3.57 0.19 -3.42 116.94 115.80 2cr7 h PHE 72 Ca 0.00 0.08 -0.51 0.00 3.53 0.00 0.00 57.97 61.08 2cr7 h PHE 72 Cb 0.08 0.44 0.06 0.00 2.79 0.00 0.00 35.95 39.32 2cr7 h PHE 72 CO -0.05 -0.39 -0.19 1.28 -2.23 0.00 0.00 178.31 176.73 2cr7 n LEU 73 N -5.52 -0.50 -0.00 0.59 4.77 0.56 -4.87 117.00 112.02 2cr7 n LEU 73 Ca 0.11 0.81 -0.13 0.00 -0.03 0.00 0.00 56.01 56.77 2cr7 n LEU 73 Cb 0.42 -0.66 -0.10 0.00 -2.33 0.00 0.00 43.42 40.75 2cr7 n LEU 73 CO -0.07 -1.78 0.62 1.55 -1.33 0.00 0.00 177.39 176.38 2cr7 h PRO 74 N 1.32 -0.03 -6.91 3.23 0.13 -1.89 -3.45 132.00 124.40 2cr7 h PRO 74 Ca -0.27 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.32 2cr7 h PRO 74 Cb 1.01 0.01 0.20 0.00 0.13 0.00 0.00 31.00 32.35 2cr7 h PRO 74 CO 0.43 0.45 -0.19 0.43 -0.23 0.00 0.00 178.00 178.89 2cr7 n SER 75 N -4.87 -0.71 0.00 1.44 7.64 -1.26 -4.94 113.62 110.91 2cr7 n SER 75 Ca -0.08 0.49 0.00 0.00 1.01 0.00 0.00 58.87 60.28 2cr7 n SER 75 Cb 0.25 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.13 2cr7 n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cr7 n GLY 76 N 1.16 -0.89 0.00 0.23 0.00 -1.26 -4.93 105.19 99.49 2cr7 n GLY 76 Ca 0.10 -1.10 0.07 0.00 0.00 0.00 0.00 46.02 45.09 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 0.21 -1.13 1.61 -0.04 -1.26 -4.81 135.00 129.58 2cr7 n PRO 77 Ca 0.00 0.14 -0.32 0.00 -0.04 0.00 0.00 63.50 63.28 2cr7 n PRO 77 Cb 0.00 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.08 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 -2.56 3.82 0.24 3.54 0.01 -1.26 -4.88 113.70 112.61 2cr7 s SER 78 Ca 0.14 2.15 -0.28 0.00 1.31 0.00 0.00 55.95 59.27 2cr7 s SER 78 Cb 0.10 -2.56 -0.16 0.00 0.21 0.00 0.00 66.02 63.61 2cr7 s SER 78 CO 0.22 -2.50 0.62 -0.24 0.41 0.00 0.00 173.24 171.75 2cr7 n SER 79 N -3.48 -0.69 0.00 2.44 2.88 -1.26 -5.14 113.62 108.37 2cr7 n SER 79 Ca 0.12 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 2cr7 n SER 79 Cb 0.52 -1.03 0.00 0.00 -0.75 0.00 0.00 64.21 62.94 2cr7 n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42