#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 -0.28 0.57 1.61 0.01 -1.26 -5.17 113.70 109.17 2cr7 s SER 2 Ca 0.00 0.49 0.08 0.00 1.31 0.00 0.00 55.95 57.83 2cr7 s SER 2 Cb 0.00 0.56 0.07 0.00 0.21 0.00 0.00 66.02 66.85 2cr7 s SER 2 CO 0.00 -0.17 0.61 -0.55 0.41 0.00 0.00 173.24 173.53 2cr7 s SER 3 N -0.15 4.83 -0.30 2.44 0.15 -1.26 -5.13 113.70 114.28 2cr7 s SER 3 Ca -0.03 -1.08 -0.13 0.00 0.70 0.00 0.00 55.95 55.41 2cr7 s SER 3 Cb -0.03 0.43 0.18 0.00 -1.71 0.00 0.00 66.02 64.89 2cr7 s SER 3 CO 0.01 -1.26 1.07 -0.83 1.20 0.00 0.00 173.24 173.43 2cr7 s GLY 4 N -4.49 -0.58 -0.30 9.45 0.00 -1.26 -5.13 107.32 105.01 2cr7 s GLY 4 Ca 0.47 2.52 -0.04 0.00 0.00 0.00 0.00 44.72 47.66 2cr7 s GLY 4 CO 0.30 3.97 0.04 -0.56 0.00 0.00 0.00 173.10 176.85 2cr7 s SER 5 N 2.96 4.98 -0.08 1.64 0.01 -1.26 -5.07 113.70 116.88 2cr7 s SER 5 Ca 0.11 -1.03 -0.02 0.00 1.31 0.00 0.00 55.95 56.33 2cr7 s SER 5 Cb -0.06 -1.79 0.03 0.00 0.21 0.00 0.00 66.02 64.41 2cr7 s SER 5 CO -0.16 -0.24 0.01 -0.44 0.41 0.00 0.00 173.24 172.82 2cr7 s SER 6 N 1.37 1.70 0.00 2.44 0.01 -1.26 -4.88 113.70 113.08 2cr7 s SER 6 Ca -0.01 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.09 2cr7 s SER 6 Cb -0.19 -0.43 0.00 0.00 0.21 0.00 0.00 66.02 65.61 2cr7 s SER 6 CO 0.00 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.05 2cr7 n GLY 7 N 5.15 -1.78 3.82 3.44 0.00 -1.23 -4.63 105.19 109.96 2cr7 n GLY 7 Ca -0.07 0.73 -0.38 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 5.05 -0.04 1.61 -7.23 -1.26 -5.03 120.40 113.51 2cr7 s VAL 8 Ca 0.00 0.85 -0.04 0.00 -1.81 0.00 0.00 61.98 60.98 2cr7 s VAL 8 Cb 0.00 -3.72 -0.02 0.00 0.56 0.00 0.00 36.38 33.19 2cr7 s VAL 8 CO 0.00 0.54 0.25 -0.74 -0.31 0.00 0.00 175.10 174.84 2cr7 h HIS 9 N 5.01 -0.13 -1.84 2.82 -0.00 -2.00 -3.47 115.15 115.56 2cr7 h HIS 9 Ca -0.50 -0.00 -0.62 0.00 -0.00 0.00 0.00 60.37 59.25 2cr7 h HIS 9 Cb 1.21 0.04 0.15 0.00 -0.00 0.00 0.00 27.41 28.81 2cr7 h HIS 9 CO 0.69 -0.08 -0.71 1.55 -0.00 0.00 0.00 177.93 179.39 2cr7 n VAL 10 N -3.52 1.20 -0.99 5.26 3.14 -1.26 -4.73 118.33 117.42 2cr7 n VAL 10 Ca -0.02 -0.50 -0.21 0.00 -2.96 0.00 0.00 64.34 60.66 2cr7 n VAL 10 Cb 0.05 -0.19 -0.10 0.00 -1.06 0.00 0.00 33.84 32.54 2cr7 n VAL 10 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2cr7 n GLU 11 N 1.04 2.40 -2.98 1.45 2.13 -1.26 -4.85 120.64 118.56 2cr7 n GLU 11 Ca 0.12 -1.36 -0.43 0.00 0.66 0.00 0.00 57.16 56.15 2cr7 n GLU 11 Cb 0.38 -2.27 -0.05 0.00 0.27 0.00 0.00 31.44 29.77 2cr7 n GLU 11 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2cr7 s ASP 12 N 2.30 6.29 0.00 4.31 1.01 -1.26 -4.84 116.67 124.47 2cr7 s ASP 12 Ca 0.60 -0.57 0.00 0.00 0.71 0.00 0.00 52.55 53.28 2cr7 s ASP 12 Cb 0.23 -2.37 0.00 0.00 1.01 0.00 0.00 42.92 41.79 2cr7 s ASP 12 CO -0.02 -1.07 0.00 0.00 0.21 0.00 0.00 175.17 174.29 2cr7 n ALA 13 N 6.87 2.74 0.28 5.23 0.00 -1.26 -4.74 120.51 129.64 2cr7 n ALA 13 Ca -0.02 -0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.45 2cr7 n ALA 13 Cb 0.47 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.09 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 -2.30 0.00 -0.40 0.00 -0.00 -1.26 -3.13 117.00 109.91 2cr7 n LEU 14 Ca 0.00 0.50 0.32 0.00 -0.00 0.00 0.00 56.01 56.83 2cr7 n LEU 14 Cb 0.00 -0.50 0.60 0.00 -0.00 0.00 0.00 43.42 43.53 2cr7 n LEU 14 CO 0.00 -0.36 1.23 0.74 -0.00 0.00 0.00 177.39 179.00 2cr7 h THR 15 N 0.00 0.26 0.07 1.47 2.02 -1.93 0.49 112.91 115.28 2cr7 h THR 15 Ca 0.00 -0.06 -0.30 0.00 0.77 0.00 0.00 66.41 66.81 2cr7 h THR 15 Cb 0.14 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.58 2cr7 h THR 15 CO 0.00 0.03 -1.63 0.22 0.37 0.00 0.00 175.52 174.51 2cr7 h TYR 16 N 0.18 0.25 -0.31 3.16 5.03 -1.91 -3.37 116.97 120.00 2cr7 h TYR 16 Ca 0.74 -0.18 0.07 0.00 2.58 0.00 0.00 58.73 61.94 2cr7 h TYR 16 Cb 2.21 -0.01 -0.08 0.00 1.55 0.00 0.00 36.73 40.41 2cr7 h TYR 16 CO -0.00 1.28 -0.21 1.25 -1.32 0.00 0.00 178.16 179.16 2cr7 h LEU 17 N 0.04 -0.69 -0.97 2.82 7.12 -0.22 -0.64 115.31 122.78 2cr7 h LEU 17 Ca -0.27 0.14 0.32 0.00 0.13 0.00 0.00 57.88 58.20 2cr7 h LEU 17 Cb 2.00 0.35 -0.16 0.00 -0.53 0.00 0.00 40.66 42.32 2cr7 h LEU 17 CO 0.12 -0.24 0.42 -0.78 -0.13 0.00 0.00 178.44 177.83 2cr7 h ASP 18 N -0.18 0.24 -0.13 1.25 3.58 -1.55 0.22 116.42 119.86 2cr7 h ASP 18 Ca 0.16 0.22 0.04 0.00 0.42 0.00 0.00 57.03 57.87 2cr7 h ASP 18 Cb 0.43 0.24 -0.05 0.00 1.72 0.00 0.00 39.33 41.66 2cr7 h ASP 18 CO -0.42 -0.23 -0.15 1.56 -2.88 0.00 0.00 179.24 177.12 2cr7 h GLN 19 N 0.19 -0.18 -0.43 0.28 1.08 -1.31 -1.30 115.11 113.44 2cr7 h GLN 19 Ca 0.70 0.01 0.09 0.00 -1.45 0.00 0.00 58.65 58.00 2cr7 h GLN 19 Cb 1.62 0.04 -0.08 0.00 -0.05 0.00 0.00 27.48 29.01 2cr7 h GLN 19 CO -0.69 -0.12 -0.10 0.28 -0.95 0.00 0.00 178.83 177.26 2cr7 h VAL 20 N -0.18 0.58 0.64 -0.54 2.07 -0.55 0.16 116.25 118.43 2cr7 h VAL 20 Ca 0.09 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 2cr7 h VAL 20 Cb 0.32 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2cr7 h VAL 20 CO -0.24 0.00 -0.50 0.50 0.02 0.00 0.00 177.57 177.36 2cr7 h LYS 21 N 0.01 -1.06 -0.90 1.57 3.64 -1.17 0.10 116.57 118.77 2cr7 h LYS 21 Ca 0.21 0.07 0.20 0.00 -1.27 0.00 0.00 60.65 59.87 2cr7 h LYS 21 Cb 0.32 0.24 -0.12 0.00 -0.41 0.00 0.00 32.23 32.26 2cr7 h LYS 21 CO -0.44 -0.70 0.43 0.82 -2.27 0.00 0.00 179.45 177.29 2cr7 h ILE 22 N -1.10 0.55 0.75 2.00 2.04 -0.93 0.38 117.51 121.20 2cr7 h ILE 22 Ca -0.08 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 2cr7 h ILE 22 Cb 0.91 0.02 0.01 0.00 -0.74 0.00 0.00 36.82 37.02 2cr7 h ILE 22 CO 0.02 0.09 -0.36 -0.09 0.00 0.00 0.00 178.15 177.81 2cr7 h ARG 23 N 0.49 -0.96 -1.53 2.37 1.12 -0.56 -3.02 114.38 112.28 2cr7 h ARG 23 Ca 0.55 0.07 -0.16 0.00 -1.11 0.00 0.00 59.98 59.32 2cr7 h ARG 23 Cb 0.98 0.22 -0.07 0.00 -0.01 0.00 0.00 29.97 31.08 2cr7 h ARG 23 CO -0.48 -0.63 0.20 1.19 -3.11 0.00 0.00 179.97 177.15 2cr7 n PHE 24 N -5.46 0.80 0.42 2.20 3.72 0.32 -4.52 117.46 114.94 2cr7 n PHE 24 Ca -0.13 -1.31 -0.19 0.00 -0.05 0.00 0.00 57.45 55.77 2cr7 n PHE 24 Cb 0.40 -0.65 -0.09 0.00 -0.94 0.00 0.00 39.48 38.20 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 2.90 -1.15 2.00 1.37 0.00 -0.81 -2.78 103.07 104.59 2cr7 h GLY 25 Ca 0.15 0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.93 2cr7 h GLY 25 CO 0.36 -0.41 0.00 1.44 0.00 0.00 0.00 176.54 177.93 2cr7 n SER 26 N -5.56 0.80 -4.15 0.19 7.64 -1.26 -4.20 113.62 107.07 2cr7 n SER 26 Ca -0.14 0.61 -0.38 0.00 1.01 0.00 0.00 58.87 59.97 2cr7 n SER 26 Cb 0.44 -0.81 -0.05 0.00 -1.01 0.00 0.00 64.21 62.77 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 -4.49 6.20 0.37 6.43 1.01 -1.05 -4.87 116.67 120.27 2cr7 s ASP 27 Ca 0.08 -3.66 0.16 0.00 0.71 0.00 0.00 52.55 49.84 2cr7 s ASP 27 Cb 0.11 -1.96 0.73 0.00 1.01 0.00 0.00 42.92 42.81 2cr7 s ASP 27 CO 0.53 -0.21 1.78 1.55 0.21 0.00 0.00 175.17 179.03 2cr7 h PRO 28 N 6.17 0.00 -0.56 8.23 0.13 -1.73 -3.22 132.00 141.02 2cr7 h PRO 28 Ca 0.16 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.40 2cr7 h PRO 28 Cb 0.83 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.85 2cr7 h PRO 28 CO 0.87 0.39 -0.17 0.00 -0.23 0.00 0.00 178.00 178.86 2cr7 h ALA 29 N 1.61 0.31 0.52 -0.56 0.00 -1.90 -0.90 119.26 118.34 2cr7 h ALA 29 Ca -0.00 0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2cr7 h ALA 29 Cb 0.78 0.47 0.01 0.00 0.00 0.00 0.00 17.79 19.05 2cr7 h ALA 29 CO 0.05 -0.47 -0.25 1.15 0.00 0.00 0.00 179.25 179.73 2cr7 h THR 30 N -0.03 0.48 -0.60 0.00 2.02 -1.92 -3.06 112.91 109.79 2cr7 h THR 30 Ca 0.26 -0.11 0.09 0.00 0.77 0.00 0.00 66.41 67.42 2cr7 h THR 30 Cb 0.44 0.53 -0.11 0.00 -1.74 0.00 0.00 68.15 67.27 2cr7 h THR 30 CO -0.59 0.02 -0.44 0.22 0.37 0.00 0.00 175.52 175.10 2cr7 h TYR 31 N -0.77 -1.30 -0.70 3.16 3.20 -1.51 -1.56 116.97 117.50 2cr7 h TYR 31 Ca -0.07 0.08 0.07 0.00 3.14 0.00 0.00 58.73 61.95 2cr7 h TYR 31 Cb 0.57 0.65 -0.10 0.00 1.54 0.00 0.00 36.73 39.39 2cr7 h TYR 31 CO -0.02 -0.42 -0.56 -0.91 -1.64 0.00 0.00 178.16 174.61 2cr7 h ASN 32 N -0.21 -1.96 -0.77 -2.11 2.35 -1.15 0.73 115.58 112.46 2cr7 h ASN 32 Ca 0.18 0.28 0.18 0.00 -0.55 0.00 0.00 56.30 56.39 2cr7 h ASN 32 Cb 0.56 0.84 -0.13 0.00 0.05 0.00 0.00 38.32 39.64 2cr7 h ASN 32 CO -0.70 -0.30 0.02 1.23 -1.65 0.00 0.00 177.43 176.02 2cr7 h GLY 33 N -0.18 0.88 0.66 2.83 0.00 -1.19 0.36 103.07 106.42 2cr7 h GLY 33 Ca 0.11 0.10 0.12 0.00 0.00 0.00 0.00 47.33 47.67 2cr7 h GLY 33 CO -0.75 -0.30 0.55 -2.75 0.00 0.00 0.00 176.54 173.30 2cr7 h PHE 34 N 0.11 0.80 0.48 5.60 3.57 -0.40 -2.36 116.94 124.74 2cr7 h PHE 34 Ca 0.42 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.92 2cr7 h PHE 34 Cb 0.75 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.24 2cr7 h PHE 34 CO -0.42 0.33 -0.23 -0.07 -2.23 0.00 0.00 178.31 175.70 2cr7 h LEU 35 N 0.71 -0.55 -1.98 0.59 3.38 0.39 -2.74 115.31 115.12 2cr7 h LEU 35 Ca 0.41 0.02 0.45 0.00 0.09 0.00 0.00 57.88 58.86 2cr7 h LEU 35 Cb 0.60 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.43 2cr7 h LEU 35 CO -0.18 -0.32 1.12 -0.33 0.09 0.00 0.00 178.44 178.83 2cr7 h GLU 36 N -0.80 0.01 -0.17 1.13 5.08 -1.22 0.59 114.58 119.19 2cr7 h GLU 36 Ca -0.07 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 2cr7 h GLU 36 Cb 0.50 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 2cr7 h GLU 36 CO 0.11 0.00 -0.09 0.82 -1.00 0.00 0.00 179.01 178.85 2cr7 h ILE 37 N 0.01 1.31 -0.58 3.13 2.04 -1.25 -3.20 117.51 118.97 2cr7 h ILE 37 Ca 0.75 -1.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.41 2cr7 h ILE 37 Cb 2.98 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 40.74 2cr7 h ILE 37 CO -0.02 0.34 0.18 0.24 0.00 0.00 0.00 178.15 178.89 2cr7 h MET 38 N 0.05 0.90 -0.31 2.37 2.86 0.45 -2.32 114.93 118.93 2cr7 h MET 38 Ca 0.04 -0.20 0.09 0.00 -2.06 0.00 0.00 59.70 57.57 2cr7 h MET 38 Cb 0.58 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 2cr7 h MET 38 CO 0.03 0.81 0.66 0.87 1.06 0.00 0.00 176.91 180.34 2cr7 h LYS 39 N 0.82 0.00 0.16 1.72 1.57 -1.32 0.46 116.57 119.99 2cr7 h LYS 39 Ca 0.19 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.70 2cr7 h LYS 39 Cb 0.29 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.61 2cr7 h LYS 39 CO -0.01 0.00 -1.28 0.93 -0.57 0.00 0.00 179.45 178.53 2cr7 h GLU 40 N 0.00 0.34 0.00 3.15 4.39 -1.48 -2.89 114.58 118.10 2cr7 h GLU 40 Ca 0.15 -0.58 0.00 0.00 0.34 0.00 0.00 59.36 59.26 2cr7 h GLU 40 Cb 1.47 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 30.34 2cr7 h GLU 40 CO -0.00 1.28 0.00 0.34 -1.16 0.00 0.00 179.01 179.47 2cr7 n PHE 41 N -3.91 0.90 0.06 4.33 7.35 0.14 -0.64 117.46 125.69 2cr7 n PHE 41 Ca -0.20 0.31 0.09 0.00 -0.76 0.00 0.00 57.45 56.90 2cr7 n PHE 41 Cb 0.94 -1.00 -0.06 0.00 0.35 0.00 0.00 39.48 39.70 2cr7 n PHE 41 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2cr7 n LYS 42 N -2.28 0.62 -0.65 -4.13 5.02 0.16 -3.95 118.16 112.95 2cr7 n LYS 42 Ca 0.04 0.04 0.08 0.00 -2.02 0.00 0.00 58.31 56.45 2cr7 n LYS 42 Cb 0.32 -1.73 0.34 0.00 -0.02 0.00 0.00 35.03 33.94 2cr7 n LYS 42 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2cr7 n SER 43 N -2.59 4.70 -2.13 4.39 7.64 -1.09 -4.90 113.62 119.65 2cr7 n SER 43 Ca -0.03 -2.55 -0.19 0.00 1.01 0.00 0.00 58.87 57.11 2cr7 n SER 43 Cb 0.60 -0.59 -0.01 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.87 -1.49 -0.02 1.43 1.13 -1.20 -4.89 117.38 113.21 2cr7 n GLN 44 Ca 0.24 0.91 -0.20 0.00 -1.94 0.00 0.00 57.00 56.01 2cr7 n GLN 44 Cb 0.92 -5.45 -0.14 0.00 0.11 0.00 0.00 30.24 25.69 2cr7 n GLN 44 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2cr7 n SER 45 N -1.57 2.03 -4.33 1.08 7.64 0.19 -4.97 113.62 113.69 2cr7 n SER 45 Ca -0.22 0.17 -0.21 0.00 1.01 0.00 0.00 58.87 59.61 2cr7 n SER 45 Cb 0.67 -0.75 -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 -2.55 1.77 0.63 0.44 -4.36 -1.04 -4.97 121.20 111.11 2cr7 s ILE 46 Ca -0.23 -1.93 0.06 0.00 -0.26 0.00 0.00 60.65 58.29 2cr7 s ILE 46 Cb 0.07 -1.83 0.11 0.00 1.25 0.00 0.00 42.46 42.06 2cr7 s ILE 46 CO 0.75 -0.35 0.86 0.47 0.24 0.00 0.00 174.94 176.91 2cr7 n ASP 47 N 0.25 1.77 -0.08 4.36 8.00 -1.26 -4.46 116.55 125.12 2cr7 n ASP 47 Ca -0.13 -2.35 -0.12 0.00 0.71 0.00 0.00 54.79 52.91 2cr7 n ASP 47 Cb 0.57 -0.50 -0.06 0.00 -0.02 0.00 0.00 41.12 41.11 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 -0.19 0.09 0.00 -3.53 2.02 -2.01 0.39 112.91 109.68 2cr7 h THR 48 Ca -0.29 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.89 2cr7 h THR 48 Cb 1.21 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2cr7 h THR 48 CO 0.37 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.45 2cr7 n PRO 49 N -5.42 0.49 0.09 6.66 -0.04 -1.26 -2.37 135.00 133.16 2cr7 n PRO 49 Ca -0.02 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.55 2cr7 n PRO 49 Cb 0.36 -1.48 0.04 0.00 -0.04 0.00 0.00 33.50 32.38 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 2.46 0.00 0.08 0.55 0.00 -0.56 -3.36 103.07 102.25 2cr7 h GLY 50 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.96 2cr7 h GLY 50 CO 0.00 0.00 -2.06 1.55 0.00 0.00 0.00 176.54 176.03 2cr7 n VAL 51 N -2.53 1.56 -0.34 4.60 3.14 -1.00 -4.31 118.33 119.45 2cr7 n VAL 51 Ca 0.01 -0.34 0.23 0.00 -2.96 0.00 0.00 64.34 61.27 2cr7 n VAL 51 Cb 0.52 -1.84 0.46 0.00 -1.06 0.00 0.00 33.84 31.92 2cr7 n VAL 51 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 2cr7 h ILE 52 N -0.69 0.38 -0.81 1.55 5.03 -1.75 0.64 117.51 121.86 2cr7 h ILE 52 Ca -0.54 -0.14 0.01 0.00 -0.12 0.00 0.00 64.86 64.08 2cr7 h ILE 52 Cb 1.62 -0.05 -0.04 0.00 -3.03 0.00 0.00 36.82 35.32 2cr7 h ILE 52 CO -0.24 0.07 0.53 0.08 -0.68 0.00 0.00 178.15 177.92 2cr7 h ARG 53 N 0.40 1.05 0.22 2.37 0.11 -1.76 -1.96 114.38 114.81 2cr7 h ARG 53 Ca 0.70 -0.06 -0.01 0.00 0.10 0.00 0.00 59.98 60.71 2cr7 h ARG 53 Cb 1.57 -0.24 0.00 0.00 1.11 0.00 0.00 29.97 32.41 2cr7 h ARG 53 CO -0.53 0.70 -0.10 0.00 0.10 0.00 0.00 179.97 180.13 2cr7 h ARG 54 N 1.08 -0.28 -1.40 0.08 2.47 0.03 -3.27 114.38 113.09 2cr7 h ARG 54 Ca 0.30 0.02 0.41 0.00 -1.26 0.00 0.00 59.98 59.45 2cr7 h ARG 54 Cb -0.11 0.06 -0.08 0.00 -1.65 0.00 0.00 29.97 28.20 2cr7 h ARG 54 CO -0.07 -0.11 0.98 0.28 0.56 0.00 0.00 179.97 181.62 2cr7 h VAL 55 N -1.05 0.26 -0.05 2.04 2.07 -1.14 0.28 116.25 118.66 2cr7 h VAL 55 Ca -0.03 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2cr7 h VAL 55 Cb 0.30 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2cr7 h VAL 55 CO 0.05 0.01 0.02 -1.28 0.02 0.00 0.00 177.57 176.39 2cr7 h SER 56 N 0.07 0.04 -0.25 0.57 0.87 -1.40 -2.17 113.55 111.27 2cr7 h SER 56 Ca 0.71 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 61.23 2cr7 h SER 56 Cb 2.63 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 64.57 2cr7 h SER 56 CO -0.12 0.03 -0.00 1.56 -0.53 0.00 0.00 176.83 177.76 2cr7 h GLN 57 N 0.05 0.45 -0.13 2.24 1.08 -0.54 -1.26 115.11 117.00 2cr7 h GLN 57 Ca 0.02 -0.15 0.03 0.00 -1.45 0.00 0.00 58.65 57.10 2cr7 h GLN 57 Cb 0.00 -0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.34 2cr7 h GLN 57 CO -0.01 0.62 -0.44 1.25 -0.95 0.00 0.00 178.83 179.30 2cr7 h LEU 58 N 0.22 -1.39 -3.46 1.46 5.85 -1.25 -0.90 115.31 115.83 2cr7 h LEU 58 Ca 0.07 0.17 -0.39 0.00 0.84 0.00 0.00 57.88 58.57 2cr7 h LEU 58 Cb 0.42 0.55 -0.20 0.00 0.37 0.00 0.00 40.66 41.80 2cr7 h LEU 58 CO 0.01 -0.38 0.50 0.49 -0.34 0.00 0.00 178.44 178.72 2cr7 n PHE 59 N -4.85 2.11 -0.25 1.25 3.72 -0.83 -4.58 117.46 114.04 2cr7 n PHE 59 Ca -0.05 -1.76 0.05 0.00 -0.05 0.00 0.00 57.45 55.65 2cr7 n PHE 59 Cb 0.30 -0.87 0.18 0.00 -0.94 0.00 0.00 39.48 38.15 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 1.03 0.42 0.00 1.38 2.07 0.10 0.70 115.15 120.86 2cr7 h HIS 60 Ca 0.42 0.04 0.00 0.00 -2.85 0.00 0.00 60.37 57.98 2cr7 h HIS 60 Cb 1.76 -0.07 0.00 0.00 2.57 0.00 0.00 27.41 31.67 2cr7 h HIS 60 CO 1.07 0.01 0.00 0.39 -3.07 0.00 0.00 177.93 176.33 2cr7 n GLU 61 N -5.06 0.16 -3.90 5.12 1.02 -1.26 -3.94 120.64 112.78 2cr7 n GLU 61 Ca 0.14 0.45 -0.29 0.00 -0.02 0.00 0.00 57.16 57.43 2cr7 n GLU 61 Cb 0.43 -1.85 -0.12 0.00 -0.02 0.00 0.00 31.44 29.88 2cr7 n GLU 61 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2cr7 s HIS 62 N -3.32 3.44 0.14 -0.32 3.76 0.24 -4.91 115.29 114.31 2cr7 s HIS 62 Ca 0.03 -3.25 0.33 0.00 -0.15 0.00 0.00 55.06 52.02 2cr7 s HIS 62 Cb 0.09 -2.79 1.37 0.00 1.11 0.00 0.00 32.58 32.35 2cr7 s HIS 62 CO 0.34 -0.64 1.99 -1.00 -0.85 0.00 0.00 174.74 174.58 2cr7 h PRO 63 N 5.88 0.00 -0.15 8.40 0.13 -1.68 -2.86 132.00 141.72 2cr7 h PRO 63 Ca 0.06 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.07 2cr7 h PRO 63 Cb 0.81 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 2cr7 h PRO 63 CO 0.71 0.03 -0.43 -0.44 -0.23 0.00 0.00 178.00 177.64 2cr7 h ASP 64 N 0.00 0.37 0.09 1.44 5.19 -1.91 -2.70 116.42 118.90 2cr7 h ASP 64 Ca -0.00 -0.16 -0.16 0.00 -0.62 0.00 0.00 57.03 56.09 2cr7 h ASP 64 Cb 0.51 -0.10 0.02 0.00 0.18 0.00 0.00 39.33 39.93 2cr7 h ASP 64 CO 0.00 0.76 -0.67 -0.07 -3.12 0.00 0.00 179.24 176.14 2cr7 h LEU 65 N 0.29 0.43 -0.98 1.55 3.38 -1.85 -2.13 115.31 116.00 2cr7 h LEU 65 Ca 0.02 -0.90 0.12 0.00 0.09 0.00 0.00 57.88 57.21 2cr7 h LEU 65 Cb 0.88 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.40 2cr7 h LEU 65 CO 0.07 1.30 0.61 0.40 0.09 0.00 0.00 178.44 180.91 2cr7 h ILE 66 N -0.36 0.91 0.09 1.22 2.04 -1.54 -1.43 117.51 118.43 2cr7 h ILE 66 Ca -0.11 -0.33 -0.28 0.00 1.00 0.00 0.00 64.86 65.15 2cr7 h ILE 66 Cb 1.48 -0.13 0.02 0.00 -0.74 0.00 0.00 36.82 37.44 2cr7 h ILE 66 CO 0.13 0.17 -1.17 0.58 0.00 0.00 0.00 178.15 177.87 2cr7 h VAL 67 N 0.96 1.36 -0.23 1.67 2.07 -1.57 -3.28 116.25 117.23 2cr7 h VAL 67 Ca 0.49 -2.57 0.04 0.00 0.82 0.00 0.00 66.70 65.47 2cr7 h VAL 67 Cb 0.49 2.67 -0.04 0.00 -1.52 0.00 0.00 31.29 32.89 2cr7 h VAL 67 CO -0.27 0.77 -0.01 1.23 0.02 0.00 0.00 177.57 179.32 2cr7 h GLY 68 N 0.80 0.21 0.09 2.17 0.00 -0.62 -2.80 103.07 102.93 2cr7 h GLY 68 Ca -0.15 0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 2cr7 h GLY 68 CO 0.21 -0.05 -0.11 -2.75 0.00 0.00 0.00 176.54 173.85 2cr7 h PHE 69 N 0.06 -0.30 -0.51 5.60 3.57 -1.40 0.20 116.94 124.16 2cr7 h PHE 69 Ca 0.11 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.66 2cr7 h PHE 69 Cb 0.14 0.12 -0.06 0.00 2.79 0.00 0.00 35.95 38.94 2cr7 h PHE 69 CO -0.19 -0.14 -0.30 0.09 -2.23 0.00 0.00 178.31 175.54 2cr7 n ASN 70 N -2.95 -0.54 -0.13 0.41 3.02 -1.21 0.63 115.26 114.49 2cr7 n ASN 70 Ca -0.02 1.12 -0.05 0.00 -0.03 0.00 0.00 54.58 55.59 2cr7 n ASN 70 Cb 0.09 -0.22 0.04 0.00 -0.61 0.00 0.00 39.78 39.08 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 0.04 0.48 -0.12 5.41 0.00 -1.42 -2.97 119.26 120.68 2cr7 h ALA 71 Ca 0.08 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2cr7 h ALA 71 Cb 0.21 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 2cr7 h ALA 71 CO -0.48 -0.26 -0.41 0.35 0.00 0.00 0.00 179.25 178.44 2cr7 h PHE 72 N 0.28 -1.24 -0.67 0.00 3.04 0.35 -3.43 116.94 115.27 2cr7 h PHE 72 Ca 0.20 0.05 -0.47 0.00 3.98 0.00 0.00 57.97 61.72 2cr7 h PHE 72 Cb 0.20 0.56 0.06 0.00 2.56 0.00 0.00 35.95 39.33 2cr7 h PHE 72 CO -0.17 -0.41 -0.21 1.28 -2.02 0.00 0.00 178.31 176.78 2cr7 n LEU 73 N -4.73 -0.54 -0.12 0.59 4.77 -0.06 -4.83 117.00 112.08 2cr7 n LEU 73 Ca -0.04 0.76 -0.13 0.00 -0.03 0.00 0.00 56.01 56.56 2cr7 n LEU 73 Cb 0.28 -0.62 -0.02 0.00 -2.33 0.00 0.00 43.42 40.73 2cr7 n LEU 73 CO 0.06 -1.73 0.55 1.55 -1.33 0.00 0.00 177.39 176.49 2cr7 h PRO 74 N 1.14 0.95 -4.38 3.23 0.13 -1.87 -3.41 132.00 127.78 2cr7 h PRO 74 Ca -0.24 -0.50 -0.44 0.00 -0.87 0.00 0.00 66.00 63.95 2cr7 h PRO 74 Cb 0.96 0.02 0.13 0.00 0.13 0.00 0.00 31.00 32.23 2cr7 h PRO 74 CO 0.40 1.15 -0.83 -1.13 -0.23 0.00 0.00 178.00 177.36 2cr7 n SER 75 N -4.06 -2.63 -1.59 1.44 3.41 -1.26 -3.57 113.62 105.36 2cr7 n SER 75 Ca -0.02 0.49 -0.05 0.00 -0.26 0.00 0.00 58.87 59.03 2cr7 n SER 75 Cb 0.54 -0.62 -0.02 0.00 -0.26 0.00 0.00 64.21 63.85 2cr7 n SER 75 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cr7 n GLY 76 N 1.82 3.44 0.27 5.00 0.00 -1.26 -4.61 105.19 109.84 2cr7 n GLY 76 Ca 0.06 -1.63 -0.13 0.00 0.00 0.00 0.00 46.02 44.32 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 0.94 -7.76 1.61 0.13 -1.93 -3.45 132.00 121.54 2cr7 h PRO 77 Ca -0.07 -0.49 -0.45 0.00 -0.87 0.00 0.00 66.00 64.12 2cr7 h PRO 77 Cb 0.33 0.02 0.16 0.00 0.13 0.00 0.00 31.00 31.63 2cr7 h PRO 77 CO 0.10 1.15 0.39 -1.12 -0.23 0.00 0.00 178.00 178.29 2cr7 s SER 78 N -6.84 3.13 -0.18 1.44 0.01 -1.26 -5.06 113.70 104.95 2cr7 s SER 78 Ca -0.11 0.14 -0.15 0.00 1.31 0.00 0.00 55.95 57.14 2cr7 s SER 78 Cb 0.11 -0.18 -0.06 0.00 0.21 0.00 0.00 66.02 66.10 2cr7 s SER 78 CO 0.88 -2.71 -0.28 -1.20 0.41 0.00 0.00 173.24 170.35 2cr7 n SER 79 N -3.70 1.90 0.00 2.44 7.64 -1.26 -5.12 113.62 115.52 2cr7 n SER 79 Ca 0.16 0.43 0.00 0.00 1.01 0.00 0.00 58.87 60.46 2cr7 n SER 79 Cb 0.59 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 2cr7 n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64