#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 1.87 0.11 1.61 1.04 -1.26 -5.05 113.70 112.03 2cr7 s SER 2 Ca 0.00 -0.33 -0.33 0.00 0.48 0.00 0.00 55.95 55.78 2cr7 s SER 2 Cb 0.00 -0.25 -0.12 0.00 0.10 0.00 0.00 66.02 65.75 2cr7 s SER 2 CO 0.00 -0.30 1.53 0.28 0.98 0.00 0.00 173.24 175.73 2cr7 h SER 3 N 8.41 -1.66 0.00 7.02 0.02 -2.12 -3.48 113.55 121.73 2cr7 h SER 3 Ca -0.14 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2cr7 h SER 3 Cb 1.13 0.65 0.00 0.00 0.14 0.00 0.00 62.40 64.32 2cr7 h SER 3 CO 0.24 -0.47 0.00 0.61 -1.14 0.00 0.00 176.83 176.07 2cr7 n GLY 4 N -1.42 1.43 3.70 -3.77 0.00 -1.26 -5.08 105.19 98.79 2cr7 n GLY 4 Ca -0.06 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 2cr7 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cr7 s SER 5 N -3.64 5.93 -0.13 1.61 0.15 -1.26 -4.99 113.70 111.37 2cr7 s SER 5 Ca 0.00 0.18 -0.09 0.00 0.70 0.00 0.00 55.95 56.74 2cr7 s SER 5 Cb 0.00 -2.01 -0.06 0.00 -1.71 0.00 0.00 66.02 62.24 2cr7 s SER 5 CO 0.00 0.20 -0.21 -1.54 1.20 0.00 0.00 173.24 172.89 2cr7 n SER 6 N 3.37 1.27 0.00 5.45 3.41 -1.26 -5.11 113.62 120.75 2cr7 n SER 6 Ca -0.17 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2cr7 n SER 6 Cb 0.52 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 2cr7 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cr7 n GLY 7 N 2.08 2.51 3.58 5.00 0.00 -1.26 -5.06 105.19 112.03 2cr7 n GLY 7 Ca -0.25 0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.21 3.93 0.27 1.61 1.01 -1.26 -4.81 120.40 120.94 2cr7 s VAL 8 Ca 0.00 -1.49 -0.02 0.00 0.00 0.00 0.00 61.98 60.47 2cr7 s VAL 8 Cb 0.00 -4.99 0.30 0.00 0.00 0.00 0.00 36.38 31.69 2cr7 s VAL 8 CO 0.00 -1.72 1.64 -0.74 0.00 0.00 0.00 175.10 174.28 2cr7 h HIS 9 N 8.48 0.16 -3.36 5.22 -0.00 -2.04 -3.41 115.15 120.21 2cr7 h HIS 9 Ca 0.35 0.05 -0.22 0.00 -0.00 0.00 0.00 60.37 60.56 2cr7 h HIS 9 Cb 0.91 0.06 0.07 0.00 -0.00 0.00 0.00 27.41 28.45 2cr7 h HIS 9 CO 1.35 -0.22 0.16 0.28 -0.00 0.00 0.00 177.93 179.50 2cr7 n VAL 10 N -5.28 0.00 -3.17 5.26 0.31 -1.26 -5.11 118.33 109.07 2cr7 n VAL 10 Ca 0.18 -0.57 0.05 0.00 -0.01 0.00 0.00 64.34 63.98 2cr7 n VAL 10 Cb 0.58 -1.57 -0.02 0.00 -0.91 0.00 0.00 33.84 31.92 2cr7 n VAL 10 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2cr7 s GLU 11 N -4.23 0.32 0.34 5.55 2.12 -1.26 -5.10 118.70 116.45 2cr7 s GLU 11 Ca 0.36 0.59 0.04 0.00 0.36 0.00 0.00 54.97 56.32 2cr7 s GLU 11 Cb -0.01 0.33 -0.02 0.00 0.26 0.00 0.00 34.13 34.69 2cr7 s GLU 11 CO 0.25 -0.33 0.15 -0.25 -0.54 0.00 0.00 175.26 174.54 2cr7 n ASP 12 N 5.42 0.83 0.00 -1.70 8.00 -1.26 -5.11 116.55 122.73 2cr7 n ASP 12 Ca -0.05 -2.90 0.00 0.00 0.71 0.00 0.00 54.79 52.54 2cr7 n ASP 12 Cb 0.53 1.02 0.00 0.00 -0.02 0.00 0.00 41.12 42.64 2cr7 n ASP 12 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cr7 n ALA 13 N -1.25 3.00 -0.19 2.24 0.00 -1.26 -4.74 120.51 118.31 2cr7 n ALA 13 Ca -0.13 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.59 2cr7 n ALA 13 Cb 0.53 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.69 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 0.05 -0.84 0.00 8.10 -2.01 0.48 115.31 121.10 2cr7 h LEU 14 Ca 0.00 0.01 0.11 0.00 0.11 0.00 0.00 57.88 58.10 2cr7 h LEU 14 Cb 0.00 -0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 40.14 2cr7 h LEU 14 CO 0.00 0.02 0.47 0.74 -4.11 0.00 0.00 178.44 175.56 2cr7 h THR 15 N 0.05 0.87 -0.04 0.15 2.02 -2.01 0.49 112.91 114.44 2cr7 h THR 15 Ca 0.44 -0.26 -0.04 0.00 0.77 0.00 0.00 66.41 67.32 2cr7 h THR 15 Cb 1.68 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 2cr7 h THR 15 CO -0.03 0.14 -0.16 0.22 0.37 0.00 0.00 175.52 176.06 2cr7 h TYR 16 N 0.77 0.07 0.06 3.16 5.03 -1.22 -3.01 116.97 121.83 2cr7 h TYR 16 Ca 0.42 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.72 2cr7 h TYR 16 Cb 0.43 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.69 2cr7 h TYR 16 CO -0.06 0.23 -0.03 1.25 -1.32 0.00 0.00 178.16 178.23 2cr7 h LEU 17 N 0.06 -0.07 -1.40 2.82 5.85 -0.97 -3.18 115.31 118.43 2cr7 h LEU 17 Ca 0.01 -0.50 0.42 0.00 0.84 0.00 0.00 57.88 58.65 2cr7 h LEU 17 Cb 0.33 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.31 2cr7 h LEU 17 CO 0.02 0.50 0.98 -0.67 -0.34 0.00 0.00 178.44 178.93 2cr7 n ASP 18 N -4.86 0.05 0.15 1.25 2.03 -0.62 -0.08 116.55 114.47 2cr7 n ASP 18 Ca -0.09 0.85 -0.06 0.00 0.52 0.00 0.00 54.79 56.02 2cr7 n ASP 18 Cb 0.28 -0.42 -0.03 0.00 -0.72 0.00 0.00 41.12 40.23 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 -0.38 -0.74 -0.67 1.08 -1.64 -1.26 115.11 111.50 2cr7 h GLN 19 Ca 0.71 0.03 0.14 0.00 -1.45 0.00 0.00 58.65 58.08 2cr7 h GLN 19 Cb 2.71 0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 30.18 2cr7 h GLN 19 CO -0.11 -0.25 0.50 -0.24 -0.95 0.00 0.00 178.83 177.77 2cr7 h VAL 20 N -0.53 0.81 -0.28 -0.54 3.04 -0.62 0.50 116.25 118.62 2cr7 h VAL 20 Ca -0.04 -0.15 -0.03 0.00 -1.01 0.00 0.00 66.70 65.47 2cr7 h VAL 20 Cb 0.30 0.35 -0.01 0.00 -2.01 0.00 0.00 31.29 29.92 2cr7 h VAL 20 CO 0.07 0.08 0.04 0.50 -1.01 0.00 0.00 177.57 177.25 2cr7 h LYS 21 N 0.42 0.47 0.13 4.17 3.11 -1.13 -2.03 116.57 121.72 2cr7 h LYS 21 Ca 0.36 -0.13 -0.01 0.00 -2.81 0.00 0.00 60.65 58.07 2cr7 h LYS 21 Cb 0.81 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.99 2cr7 h LYS 21 CO -0.12 0.58 -0.06 0.82 -2.81 0.00 0.00 179.45 177.87 2cr7 h ILE 22 N 0.29 0.00 -0.72 2.00 2.04 0.02 -3.15 117.51 117.97 2cr7 h ILE 22 Ca 0.09 -0.83 0.09 0.00 1.00 0.00 0.00 64.86 65.20 2cr7 h ILE 22 Cb 0.34 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.31 2cr7 h ILE 22 CO 0.01 0.00 -0.51 -0.09 0.00 0.00 0.00 178.15 177.56 2cr7 h ARG 23 N -1.01 -0.16 -1.68 2.37 9.65 -0.19 0.35 114.38 123.71 2cr7 h ARG 23 Ca -0.02 0.01 -0.28 0.00 -1.10 0.00 0.00 59.98 58.60 2cr7 h ARG 23 Cb 0.14 0.04 -0.11 0.00 -1.39 0.00 0.00 29.97 28.64 2cr7 h ARG 23 CO 0.03 -0.11 0.30 1.19 2.80 0.00 0.00 179.97 184.18 2cr7 n PHE 24 N -5.36 1.20 0.08 2.20 3.72 -0.76 -4.50 117.46 114.04 2cr7 n PHE 24 Ca 0.02 -1.77 -0.13 0.00 -0.05 0.00 0.00 57.45 55.52 2cr7 n PHE 24 Cb 0.32 -0.95 -0.08 0.00 -0.94 0.00 0.00 39.48 37.83 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 2.87 -0.25 -0.18 1.37 0.00 -0.26 -3.09 103.07 103.54 2cr7 h GLY 25 Ca 0.24 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2cr7 h GLY 25 CO 0.61 -0.09 0.00 1.44 0.00 0.00 0.00 176.54 178.50 2cr7 n SER 26 N -5.01 0.81 -3.77 0.19 7.64 -1.26 -4.42 113.62 107.79 2cr7 n SER 26 Ca -0.09 -1.64 -0.29 0.00 1.01 0.00 0.00 58.87 57.87 2cr7 n SER 26 Cb 0.25 -0.06 -0.12 0.00 -1.01 0.00 0.00 64.21 63.26 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 -1.47 3.85 0.37 6.43 1.11 -1.17 -4.94 116.67 120.86 2cr7 s ASP 27 Ca 0.26 -3.28 0.16 0.00 0.18 0.00 0.00 52.55 49.88 2cr7 s ASP 27 Cb 0.13 -1.27 0.71 0.00 1.07 0.00 0.00 42.92 43.56 2cr7 s ASP 27 CO 0.21 -0.17 1.78 1.55 1.18 0.00 0.00 175.17 179.72 2cr7 h PRO 28 N 5.95 0.00 -0.23 8.23 0.13 -1.77 -3.21 132.00 141.10 2cr7 h PRO 28 Ca 0.09 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.28 2cr7 h PRO 28 Cb 0.85 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.90 2cr7 h PRO 28 CO 0.59 0.40 -0.30 0.00 -0.23 0.00 0.00 178.00 178.46 2cr7 h ALA 29 N 1.60 -0.25 -0.55 -0.56 0.00 -1.92 0.11 119.26 117.70 2cr7 h ALA 29 Ca -0.00 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2cr7 h ALA 29 Cb 0.79 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 2cr7 h ALA 29 CO 0.05 -0.74 0.11 1.15 0.00 0.00 0.00 179.25 179.82 2cr7 h THR 30 N -0.31 1.25 -0.70 0.00 2.02 -1.93 -2.72 112.91 110.51 2cr7 h THR 30 Ca 0.13 -0.93 0.06 0.00 0.77 0.00 0.00 66.41 66.44 2cr7 h THR 30 Cb 0.52 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 2cr7 h THR 30 CO -0.41 0.34 0.46 0.22 0.37 0.00 0.00 175.52 176.51 2cr7 h TYR 31 N 0.80 0.73 0.30 3.16 3.20 -1.37 -2.58 116.97 121.22 2cr7 h TYR 31 Ca 0.17 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 2cr7 h TYR 31 Cb 0.38 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.41 2cr7 h TYR 31 CO 0.03 0.39 -0.14 -0.91 -1.64 0.00 0.00 178.16 175.88 2cr7 h ASN 32 N 0.72 -0.34 -0.92 -2.11 2.35 -0.49 -2.93 115.58 111.86 2cr7 h ASN 32 Ca 0.30 -0.14 0.24 0.00 -0.55 0.00 0.00 56.30 56.15 2cr7 h ASN 32 Cb 0.27 0.09 -0.06 0.00 0.05 0.00 0.00 38.32 38.67 2cr7 h ASN 32 CO -0.10 -0.05 0.63 1.23 -1.65 0.00 0.00 177.43 177.49 2cr7 h GLY 33 N -0.65 0.53 2.00 2.83 0.00 -1.26 0.63 103.07 107.15 2cr7 h GLY 33 Ca -0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 2cr7 h GLY 33 CO 0.07 -0.02 -0.14 -2.75 0.00 0.00 0.00 176.54 173.70 2cr7 h PHE 34 N 0.23 0.00 0.02 5.60 3.57 -1.30 -2.57 116.94 122.49 2cr7 h PHE 34 Ca 0.47 0.00 -0.32 0.00 3.53 0.00 0.00 57.97 61.65 2cr7 h PHE 34 Cb 1.45 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.14 2cr7 h PHE 34 CO -0.00 0.14 -1.87 1.28 -2.23 0.00 0.00 178.31 175.62 2cr7 n LEU 35 N -3.33 1.06 0.25 0.59 4.77 0.20 -3.67 117.00 116.87 2cr7 n LEU 35 Ca -0.00 0.31 0.13 0.00 -0.03 0.00 0.00 56.01 56.42 2cr7 n LEU 35 Cb 0.35 0.00 0.56 0.00 -2.33 0.00 0.00 43.42 42.00 2cr7 n LEU 35 CO 0.31 0.49 0.89 1.05 -1.33 0.00 0.00 177.39 178.79 2cr7 h GLU 36 N 0.01 0.00 0.01 3.23 4.11 -0.91 -2.46 114.58 118.57 2cr7 h GLU 36 Ca -0.35 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.06 2cr7 h GLU 36 Cb 2.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.30 2cr7 h GLU 36 CO 0.07 0.12 -0.09 0.82 0.07 0.00 0.00 179.01 180.00 2cr7 h ILE 37 N 0.00 1.76 -0.59 -1.06 2.04 -1.60 -3.33 117.51 114.74 2cr7 h ILE 37 Ca -0.00 -2.36 -0.01 0.00 1.00 0.00 0.00 64.86 63.49 2cr7 h ILE 37 Cb 0.64 3.36 -0.03 0.00 -0.74 0.00 0.00 36.82 40.05 2cr7 h ILE 37 CO 0.02 0.61 0.33 0.24 0.00 0.00 0.00 178.15 179.35 2cr7 h MET 38 N -0.95 0.80 -0.47 2.37 2.86 -1.62 -1.69 114.93 116.22 2cr7 h MET 38 Ca -0.02 -0.08 0.14 0.00 -2.06 0.00 0.00 59.70 57.68 2cr7 h MET 38 Cb 1.06 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 2cr7 h MET 38 CO 0.01 0.58 0.34 0.87 1.06 0.00 0.00 176.91 179.77 2cr7 h LYS 39 N 0.81 0.00 0.09 1.72 1.57 -1.55 -1.85 116.57 117.36 2cr7 h LYS 39 Ca 0.21 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2cr7 h LYS 39 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2cr7 h LYS 39 CO -0.04 0.00 -0.05 0.93 -0.57 0.00 0.00 179.45 179.73 2cr7 h GLU 40 N 0.00 -0.12 -0.41 3.15 4.39 -1.41 -2.97 114.58 117.21 2cr7 h GLU 40 Ca 0.22 0.01 0.12 0.00 0.34 0.00 0.00 59.36 60.05 2cr7 h GLU 40 Cb 0.91 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.57 2cr7 h GLU 40 CO -0.00 0.29 0.32 0.35 -1.16 0.00 0.00 179.01 178.81 2cr7 h PHE 41 N -0.58 0.00 -0.28 4.33 3.04 -1.38 0.50 116.94 122.58 2cr7 h PHE 41 Ca -0.01 0.00 -0.14 0.00 3.98 0.00 0.00 57.97 61.80 2cr7 h PHE 41 Cb 0.47 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.97 2cr7 h PHE 41 CO 0.07 0.00 -0.39 -0.22 -2.02 0.00 0.00 178.31 175.75 2cr7 h LYS 42 N 0.00 0.65 -0.94 1.11 3.64 -1.34 -2.83 116.57 116.87 2cr7 h LYS 42 Ca 0.20 -0.33 -0.14 0.00 -1.27 0.00 0.00 60.65 59.10 2cr7 h LYS 42 Cb 0.83 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.57 2cr7 h LYS 42 CO -0.00 0.93 0.18 0.43 -2.27 0.00 0.00 179.45 178.72 2cr7 n SER 43 N -4.04 3.22 -2.72 4.20 7.64 0.07 -4.84 113.62 117.16 2cr7 n SER 43 Ca -0.02 -2.59 -0.15 0.00 1.01 0.00 0.00 58.87 57.13 2cr7 n SER 43 Cb 0.52 -0.62 -0.00 0.00 -1.01 0.00 0.00 64.21 63.09 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 -0.04 -2.70 -0.08 1.43 6.02 -1.07 -4.85 117.38 116.09 2cr7 n GLN 44 Ca 0.21 0.56 -0.16 0.00 -0.01 0.00 0.00 57.00 57.59 2cr7 n GLN 44 Cb 0.88 -5.19 -0.11 0.00 1.02 0.00 0.00 30.24 26.84 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 -0.33 0.00 -1.40 1.08 0.02 -1.50 -3.48 113.55 107.93 2cr7 h SER 45 Ca -0.33 -0.71 -0.55 0.00 -0.84 0.00 0.00 61.79 59.36 2cr7 h SER 45 Cb 1.23 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.71 2cr7 h SER 45 CO 0.39 1.16 -0.44 0.27 -1.14 0.00 0.00 176.83 177.07 2cr7 s ILE 46 N -2.24 2.26 0.27 3.27 -4.36 -1.25 -4.97 121.20 114.19 2cr7 s ILE 46 Ca -0.22 -1.60 0.01 0.00 -0.26 0.00 0.00 60.65 58.58 2cr7 s ILE 46 Cb 0.01 -2.86 0.01 0.00 1.25 0.00 0.00 42.46 40.87 2cr7 s ILE 46 CO 0.59 0.00 0.08 0.47 0.24 0.00 0.00 174.94 176.33 2cr7 n ASP 47 N -1.38 2.40 -0.00 4.36 9.92 -1.26 -4.60 116.55 125.99 2cr7 n ASP 47 Ca -0.01 -2.09 -0.13 0.00 -0.53 0.00 0.00 54.79 52.03 2cr7 n ASP 47 Cb 0.64 0.10 -0.07 0.00 -0.64 0.00 0.00 41.12 41.15 2cr7 n ASP 47 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2cr7 h THR 48 N 0.91 0.08 0.00 -3.53 2.02 -2.00 0.43 112.91 110.82 2cr7 h THR 48 Ca -0.20 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.98 2cr7 h THR 48 Cb 0.66 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 2cr7 h THR 48 CO 0.33 0.00 0.00 1.55 0.37 0.00 0.00 175.52 177.77 2cr7 h PRO 49 N -0.53 0.00 0.14 6.66 0.13 -2.01 -3.03 132.00 133.36 2cr7 h PRO 49 Ca 0.06 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.89 2cr7 h PRO 49 Cb 0.65 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.81 2cr7 h PRO 49 CO -0.41 0.00 -1.27 0.78 -0.23 0.00 0.00 178.00 176.87 2cr7 h GLY 50 N 2.19 0.61 2.00 1.56 0.00 -1.35 -3.16 103.07 104.93 2cr7 h GLY 50 Ca 0.00 -1.34 -0.10 0.00 0.00 0.00 0.00 47.33 45.89 2cr7 h GLY 50 CO 0.00 1.18 -0.47 -0.24 0.00 0.00 0.00 176.54 177.01 2cr7 h VAL 51 N 0.22 1.17 -0.22 4.60 3.04 -1.05 -3.17 116.25 120.85 2cr7 h VAL 51 Ca -0.19 -1.71 -0.05 0.00 -1.01 0.00 0.00 66.70 63.74 2cr7 h VAL 51 Cb 1.95 1.96 -0.01 0.00 -2.01 0.00 0.00 31.29 33.19 2cr7 h VAL 51 CO 0.24 0.46 -0.07 0.40 -1.01 0.00 0.00 177.57 177.58 2cr7 h ILE 52 N 0.00 1.29 -0.50 3.17 2.04 -1.61 -2.62 117.51 119.29 2cr7 h ILE 52 Ca -0.00 -1.10 0.10 0.00 1.00 0.00 0.00 64.86 64.86 2cr7 h ILE 52 Cb 0.93 1.56 -0.08 0.00 -0.74 0.00 0.00 36.82 38.48 2cr7 h ILE 52 CO 0.06 0.34 -0.02 -0.09 0.00 0.00 0.00 178.15 178.44 2cr7 h ARG 53 N 0.15 0.09 0.17 2.37 2.43 -1.51 0.72 114.38 118.80 2cr7 h ARG 53 Ca 0.05 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2cr7 h ARG 53 Cb 0.54 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2cr7 h ARG 53 CO 0.03 0.06 -0.08 0.00 -1.51 0.00 0.00 179.97 178.47 2cr7 h ARG 54 N 0.10 -0.22 -0.90 0.20 2.47 -1.59 -3.06 114.38 111.38 2cr7 h ARG 54 Ca 0.25 0.02 0.17 0.00 -1.26 0.00 0.00 59.98 59.16 2cr7 h ARG 54 Cb 0.39 0.05 -0.16 0.00 -1.65 0.00 0.00 29.97 28.59 2cr7 h ARG 54 CO -0.44 -0.15 -0.28 0.28 0.56 0.00 0.00 179.97 179.94 2cr7 h VAL 55 N -0.24 0.07 -0.90 2.04 2.07 -1.36 0.28 116.25 118.21 2cr7 h VAL 55 Ca -0.02 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.70 2cr7 h VAL 55 Cb 0.18 0.07 -0.17 0.00 -1.52 0.00 0.00 31.29 29.85 2cr7 h VAL 55 CO 0.04 0.00 -0.12 -1.28 0.02 0.00 0.00 177.57 176.23 2cr7 h SER 56 N -0.02 -0.66 -0.20 0.57 0.87 -0.85 0.25 113.55 113.51 2cr7 h SER 56 Ca 0.39 0.26 -0.03 0.00 -1.23 0.00 0.00 61.79 61.19 2cr7 h SER 56 Cb 0.64 0.50 -0.01 0.00 -0.44 0.00 0.00 62.40 63.09 2cr7 h SER 56 CO -0.93 -0.29 0.02 1.56 -0.53 0.00 0.00 176.83 176.66 2cr7 h GLN 57 N 0.02 0.34 -0.25 2.24 1.08 -0.36 -2.12 115.11 116.05 2cr7 h GLN 57 Ca 0.47 -0.10 0.06 0.00 -1.45 0.00 0.00 58.65 57.63 2cr7 h GLN 57 Cb 0.82 -0.04 -0.08 0.00 -0.05 0.00 0.00 27.48 28.14 2cr7 h GLN 57 CO -0.88 0.51 -0.34 1.25 -0.95 0.00 0.00 178.83 178.42 2cr7 h LEU 58 N 0.12 -1.09 -3.53 1.46 5.85 0.09 -0.23 115.31 117.98 2cr7 h LEU 58 Ca 0.06 0.17 -0.41 0.00 0.84 0.00 0.00 57.88 58.54 2cr7 h LEU 58 Cb 0.35 0.48 -0.20 0.00 0.37 0.00 0.00 40.66 41.65 2cr7 h LEU 58 CO 0.01 -0.35 0.53 0.49 -0.34 0.00 0.00 178.44 178.77 2cr7 n PHE 59 N -5.41 2.15 -0.28 1.25 3.72 -0.27 -4.57 117.46 114.05 2cr7 n PHE 59 Ca -0.02 -1.94 0.16 0.00 -0.05 0.00 0.00 57.45 55.60 2cr7 n PHE 59 Cb 0.33 -0.96 0.43 0.00 -0.94 0.00 0.00 39.48 38.35 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 1.22 0.75 0.00 1.38 2.07 -0.32 0.52 115.15 120.77 2cr7 h HIS 60 Ca 0.42 0.02 -0.01 0.00 -2.85 0.00 0.00 60.37 57.95 2cr7 h HIS 60 Cb 1.51 -0.23 -0.00 0.00 2.57 0.00 0.00 27.41 31.26 2cr7 h HIS 60 CO 1.07 0.20 -0.06 0.93 -3.07 0.00 0.00 177.93 177.00 2cr7 h GLU 61 N 0.57 0.00 -3.35 5.12 5.08 -1.83 -3.37 114.58 116.80 2cr7 h GLU 61 Ca 0.50 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 58.18 2cr7 h GLU 61 Cb 1.01 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 29.89 2cr7 h GLU 61 CO -0.24 0.06 -0.32 -1.01 -1.00 0.00 0.00 179.01 176.50 2cr7 s HIS 62 N -3.42 3.61 -0.62 4.33 3.76 0.18 -4.90 115.29 118.24 2cr7 s HIS 62 Ca 0.04 -3.01 0.21 0.00 -0.15 0.00 0.00 55.06 52.15 2cr7 s HIS 62 Cb 0.07 -3.08 0.88 0.00 1.11 0.00 0.00 32.58 31.56 2cr7 s HIS 62 CO 0.62 -0.73 1.64 -0.35 -0.85 0.00 0.00 174.74 175.07 2cr7 n PRO 63 N 2.69 0.14 0.09 8.40 -0.04 -1.25 -2.63 135.00 142.40 2cr7 n PRO 63 Ca 0.15 0.38 -0.15 0.00 -0.04 0.00 0.00 63.50 63.84 2cr7 n PRO 63 Cb 0.36 -1.77 -0.09 0.00 -0.04 0.00 0.00 33.50 31.97 2cr7 n PRO 63 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2cr7 h ASP 64 N 0.00 0.50 -0.04 3.54 3.58 -1.90 -2.99 116.42 119.11 2cr7 h ASP 64 Ca 0.00 -0.46 -0.21 0.00 0.42 0.00 0.00 57.03 56.78 2cr7 h ASP 64 Cb 0.33 -0.16 0.01 0.00 1.72 0.00 0.00 39.33 41.23 2cr7 h ASP 64 CO 0.00 1.30 -0.79 -0.07 -2.88 0.00 0.00 179.24 176.79 2cr7 h LEU 65 N 0.16 0.77 0.07 2.28 3.38 -1.85 -1.98 115.31 118.14 2cr7 h LEU 65 Ca -0.11 -0.71 0.01 0.00 0.09 0.00 0.00 57.88 57.16 2cr7 h LEU 65 Cb 1.76 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 2cr7 h LEU 65 CO 0.18 1.37 -0.09 0.40 0.09 0.00 0.00 178.44 180.40 2cr7 h ILE 66 N 0.23 0.79 0.07 1.22 2.04 -1.63 -1.75 117.51 118.49 2cr7 h ILE 66 Ca -0.09 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 2cr7 h ILE 66 Cb 1.46 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 2cr7 h ILE 66 CO 0.16 0.00 -0.03 0.58 0.00 0.00 0.00 178.15 178.85 2cr7 h VAL 67 N -0.19 1.08 -0.76 1.67 2.07 -1.62 -3.13 116.25 115.38 2cr7 h VAL 67 Ca 0.01 -0.53 0.17 0.00 0.82 0.00 0.00 66.70 67.17 2cr7 h VAL 67 Cb 0.19 1.43 -0.12 0.00 -1.52 0.00 0.00 31.29 31.27 2cr7 h VAL 67 CO -0.04 0.13 0.13 1.23 0.02 0.00 0.00 177.57 179.04 2cr7 h GLY 68 N -0.33 1.00 -0.85 2.17 0.00 -1.28 -2.09 103.07 101.70 2cr7 h GLY 68 Ca -0.01 0.01 0.09 0.00 0.00 0.00 0.00 47.33 47.42 2cr7 h GLY 68 CO 0.02 -0.25 -0.46 0.33 0.00 0.00 0.00 176.54 176.17 2cr7 n PHE 69 N -5.23 -0.28 -0.09 5.60 7.35 -0.67 -0.02 117.46 124.12 2cr7 n PHE 69 Ca 0.15 1.06 -0.08 0.00 -0.76 0.00 0.00 57.45 57.82 2cr7 n PHE 69 Cb 0.49 -0.62 -0.02 0.00 0.35 0.00 0.00 39.48 39.68 2cr7 n PHE 69 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 2cr7 h ASN 70 N 0.00 -1.05 -0.23 -2.13 2.35 -1.51 -0.97 115.58 112.03 2cr7 h ASN 70 Ca 0.17 0.18 0.06 0.00 -0.55 0.00 0.00 56.30 56.16 2cr7 h ASN 70 Cb 0.39 0.48 -0.07 0.00 0.05 0.00 0.00 38.32 39.16 2cr7 h ASN 70 CO -0.81 -0.33 -0.34 0.00 -1.65 0.00 0.00 177.43 174.30 2cr7 h ALA 71 N 0.68 -0.34 0.10 -0.83 0.00 -0.47 -2.81 119.26 115.58 2cr7 h ALA 71 Ca 0.15 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2cr7 h ALA 71 Cb 0.54 0.68 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 2cr7 h ALA 71 CO -0.49 -0.80 -0.39 0.74 0.00 0.00 0.00 179.25 178.31 2cr7 h PHE 72 N -0.36 -1.13 0.00 0.00 -1.00 -0.41 -3.40 116.94 110.64 2cr7 h PHE 72 Ca 0.12 0.03 -0.27 0.00 2.81 0.00 0.00 57.97 60.65 2cr7 h PHE 72 Cb 0.56 0.48 -0.06 0.00 3.61 0.00 0.00 35.95 40.53 2cr7 h PHE 72 CO -0.47 -0.44 1.16 1.28 -1.61 0.00 0.00 178.31 178.23 2cr7 n LEU 73 N -4.68 -0.27 -4.57 1.54 4.77 -0.44 -4.69 117.00 108.67 2cr7 n LEU 73 Ca -0.06 -0.07 -0.27 0.00 -0.03 0.00 0.00 56.01 55.57 2cr7 n LEU 73 Cb 0.31 -0.47 -0.05 0.00 -2.33 0.00 0.00 43.42 40.87 2cr7 n LEU 73 CO 0.12 -0.63 1.40 -2.16 -1.33 0.00 0.00 177.39 174.79 2cr7 s PRO 74 N 5.07 2.54 0.30 3.23 0.04 -1.26 -4.89 135.00 140.04 2cr7 s PRO 74 Ca 0.83 -0.62 0.04 0.00 0.04 0.00 0.00 61.00 61.30 2cr7 s PRO 74 Cb -0.68 -5.13 -0.03 0.00 0.04 0.00 0.00 34.50 28.70 2cr7 s PRO 74 CO 0.32 -3.59 0.20 -1.54 0.04 0.00 0.00 177.00 172.43 2cr7 s SER 75 N 7.45 1.37 0.07 6.66 1.04 -1.26 -5.18 113.70 123.85 2cr7 s SER 75 Ca 0.69 -1.60 0.01 0.00 0.48 0.00 0.00 55.95 55.53 2cr7 s SER 75 Cb -0.04 0.45 -0.00 0.00 0.10 0.00 0.00 66.02 66.53 2cr7 s SER 75 CO 0.04 -0.94 0.04 0.61 0.98 0.00 0.00 173.24 173.97 2cr7 n GLY 76 N -0.55 3.87 0.00 7.32 0.00 -1.26 -5.01 105.19 109.56 2cr7 n GLY 76 Ca 0.03 -1.80 0.07 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.14 0.49 -1.64 1.61 -0.04 -1.26 -4.83 135.00 129.19 2cr7 n PRO 77 Ca 0.00 0.00 -0.49 0.00 -0.04 0.00 0.00 63.50 62.98 2cr7 n PRO 77 Cb 0.11 -1.44 -0.05 0.00 -0.04 0.00 0.00 33.50 32.08 2cr7 n PRO 77 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cr7 n SER 78 N -0.94 2.55 -4.54 3.54 2.88 -1.26 -4.83 113.62 111.02 2cr7 n SER 78 Ca 0.10 1.09 -0.49 0.00 -1.33 0.00 0.00 58.87 58.25 2cr7 n SER 78 Cb 0.05 -1.33 -0.04 0.00 -0.75 0.00 0.00 64.21 62.14 2cr7 n SER 78 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2cr7 n SER 79 N 3.33 0.70 -0.66 -3.46 2.88 -1.26 -5.21 113.62 109.93 2cr7 n SER 79 Ca 0.18 1.15 0.08 0.00 -1.33 0.00 0.00 58.87 58.95 2cr7 n SER 79 Cb 0.25 -1.15 0.07 0.00 -0.75 0.00 0.00 64.21 62.63 2cr7 n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42