#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2caz n LEU 24 N 0.00 0.13 -4.71 1.53 -0.00 -1.26 -4.62 117.00 108.07 2caz n LEU 24 Ca 0.00 0.13 -0.42 0.00 -0.00 0.00 0.00 56.01 55.72 2caz n LEU 24 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.39 2caz n LEU 24 CO 0.00 0.00 0.64 -0.36 -0.00 0.00 0.00 177.39 177.67 2caz s PHE 25 N -0.25 3.66 0.09 1.96 2.99 -1.26 -5.02 117.98 120.16 2caz s PHE 25 Ca 0.00 1.64 -0.31 0.00 0.00 0.00 0.00 56.93 58.26 2caz s PHE 25 Cb 0.00 -3.07 -0.09 0.00 0.00 0.00 0.00 43.02 39.86 2caz s PHE 25 CO 0.00 0.02 1.60 0.34 -0.00 0.00 0.00 175.22 177.18 2caz s ASP 26 N 0.91 6.62 0.00 1.36 2.15 -1.26 -4.87 116.67 121.58 2caz s ASP 26 Ca 0.50 2.49 0.00 0.00 0.43 0.00 0.00 52.55 55.97 2caz s ASP 26 Cb -0.21 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.84 2caz s ASP 26 CO 0.27 -0.85 0.40 0.59 -0.17 0.00 0.00 175.17 175.41 2caz n ASN 27 N 5.04 1.10 -2.64 -0.34 4.13 -1.26 -1.58 115.26 119.72 2caz n ASN 27 Ca 0.15 -1.02 -0.01 0.00 1.68 0.00 0.00 54.58 55.38 2caz n ASN 27 Cb 0.40 -0.25 0.07 0.00 -1.54 0.00 0.00 39.78 38.46 2caz n ASN 27 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2caz n SER 28 N 0.54 0.39 -4.50 6.41 3.41 -1.26 -5.09 113.62 113.52 2caz n SER 28 Ca 0.00 -2.09 -0.36 0.00 -0.26 0.00 0.00 58.87 56.16 2caz n SER 28 Cb 0.20 -0.04 -0.12 0.00 -0.26 0.00 0.00 64.21 64.00 2caz n SER 28 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 2caz s ILE 29 N -2.09 4.55 0.31 -1.33 2.07 -0.62 -5.05 121.20 119.05 2caz s ILE 29 Ca 0.20 -0.09 -0.28 0.00 -1.41 0.00 0.00 60.65 59.07 2caz s ILE 29 Cb 0.36 -3.12 -0.13 0.00 0.13 0.00 0.00 42.46 39.69 2caz s ILE 29 CO -0.08 0.35 1.06 0.41 -1.91 0.00 0.00 174.94 174.77 2caz n THR 30 N 4.69 2.02 -0.33 4.00 -1.04 -1.26 -4.62 114.28 117.74 2caz n THR 30 Ca -0.16 -0.50 0.12 0.00 -2.04 0.00 0.00 64.05 61.47 2caz n THR 30 Cb 0.52 -1.12 0.30 0.00 -1.82 0.00 0.00 70.33 68.21 2caz n THR 30 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 2caz h SER 31 N 2.05 0.67 0.34 8.00 0.87 -1.99 0.69 113.55 124.18 2caz h SER 31 Ca -0.41 0.11 -0.15 0.00 -1.23 0.00 0.00 61.79 60.11 2caz h SER 31 Cb 1.33 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.27 2caz h SER 31 CO 0.61 0.22 -0.61 0.50 -0.53 0.00 0.00 176.83 177.02 2caz h LYS 32 N 0.68 0.27 -0.16 2.24 3.64 -2.00 -2.95 116.57 118.29 2caz h LYS 32 Ca 0.56 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.73 2caz h LYS 32 Cb 0.89 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 2caz h LYS 32 CO -0.40 0.79 0.01 -0.44 -2.27 0.00 0.00 179.45 177.14 2caz h ASP 33 N 0.20 0.27 -0.98 4.20 5.19 -0.96 -2.45 116.42 121.88 2caz h ASP 33 Ca -0.01 -0.29 0.25 0.00 -0.62 0.00 0.00 57.03 56.36 2caz h ASP 33 Cb 1.12 -0.07 -0.13 0.00 0.18 0.00 0.00 39.33 40.43 2caz h ASP 33 CO 0.10 0.50 0.56 0.50 -3.12 0.00 0.00 179.24 177.77 2caz h LYS 34 N 0.03 0.51 -0.10 3.56 3.11 0.27 1.20 116.57 125.15 2caz h LYS 34 Ca 0.05 -0.03 -0.08 0.00 -2.81 0.00 0.00 60.65 57.77 2caz h LYS 34 Cb 0.35 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.46 2caz h LYS 34 CO 0.01 0.34 -0.31 1.49 -2.81 0.00 0.00 179.45 178.16 2caz h GLU 35 N 0.52 0.18 -0.08 1.90 4.81 -1.34 -2.50 114.58 118.08 2caz h GLU 35 Ca 0.64 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.73 2caz h GLU 35 Cb 1.24 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2caz h GLU 35 CO -0.50 0.48 -0.25 0.28 -0.73 0.00 0.00 179.01 178.30 2caz h VAL 36 N 0.16 1.41 0.02 0.32 2.07 0.18 -1.59 116.25 118.84 2caz h VAL 36 Ca 0.02 -1.60 0.02 0.00 0.82 0.00 0.00 66.70 65.96 2caz h VAL 36 Cb 0.64 2.24 -0.05 0.00 -1.52 0.00 0.00 31.29 32.60 2caz h VAL 36 CO 0.05 0.46 -0.52 0.40 0.02 0.00 0.00 177.57 177.98 2caz h ILE 37 N -0.17 0.02 -0.97 4.57 2.04 -1.01 -1.04 117.51 120.95 2caz h ILE 37 Ca -0.01 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.17 2caz h ILE 37 Cb 0.87 0.02 -0.16 0.00 -0.74 0.00 0.00 36.82 36.82 2caz h ILE 37 CO 0.05 0.00 0.45 -0.33 0.00 0.00 0.00 178.15 178.32 2caz h GLU 38 N -0.68 0.22 0.27 2.37 4.39 -1.43 0.36 114.58 120.08 2caz h GLU 38 Ca 0.02 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2caz h GLU 38 Cb 0.72 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 2caz h GLU 38 CO -0.34 0.14 -0.13 1.15 -1.16 0.00 0.00 179.01 178.67 2caz h THR 39 N 0.22 0.74 -0.56 1.13 2.02 -0.19 -2.87 112.91 113.39 2caz h THR 39 Ca 0.70 -0.02 0.06 0.00 0.77 0.00 0.00 66.41 67.93 2caz h THR 39 Cb 1.61 0.75 -0.06 0.00 -1.74 0.00 0.00 68.15 68.71 2caz h THR 39 CO -0.67 0.00 0.26 -0.07 0.37 0.00 0.00 175.52 175.41 2caz h LEU 40 N -0.37 0.34 -1.90 2.58 3.38 0.81 0.16 115.31 120.30 2caz h LEU 40 Ca -0.04 0.05 0.32 0.00 0.09 0.00 0.00 57.88 58.31 2caz h LEU 40 Cb 0.28 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 2caz h LEU 40 CO 0.06 0.22 0.81 0.77 0.09 0.00 0.00 178.44 180.39 2caz h SER 41 N 0.49 0.07 0.00 -0.43 4.64 -1.00 0.50 113.55 117.81 2caz h SER 41 Ca 0.26 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.60 2caz h SER 41 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2caz h SER 41 CO -0.22 0.01 -0.00 -0.08 -0.87 0.00 0.00 176.83 175.67 2caz h GLU 42 N 0.06 -0.00 -0.12 4.77 4.57 -0.51 -1.79 114.58 121.56 2caz h GLU 42 Ca 0.56 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.78 2caz h GLU 42 Cb 2.10 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 30.63 2caz h GLU 42 CO -0.05 0.93 -0.33 0.82 -1.18 0.00 0.00 179.01 179.20 2caz h ILE 43 N -0.94 0.28 -0.13 2.32 2.04 0.38 0.18 117.51 121.64 2caz h ILE 43 Ca -0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 2caz h ILE 43 Cb 0.93 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 2caz h ILE 43 CO 0.00 0.00 -0.16 0.22 0.00 0.00 0.00 178.15 178.21 2caz h TYR 44 N -0.41 -0.48 -0.87 1.37 3.20 -0.27 -0.74 116.97 118.77 2caz h TYR 44 Ca 0.09 0.02 0.30 0.00 3.14 0.00 0.00 58.73 62.29 2caz h TYR 44 Cb 0.55 0.23 -0.16 0.00 1.54 0.00 0.00 36.73 38.89 2caz h TYR 44 CO -0.41 -0.13 0.25 0.45 -1.64 0.00 0.00 178.16 176.68 2caz n SER 45 N -3.46 0.11 0.43 -2.11 2.88 -0.55 0.39 113.62 111.30 2caz n SER 45 Ca -0.01 1.45 -0.17 0.00 -1.33 0.00 0.00 58.87 58.81 2caz n SER 45 Cb 0.09 -0.62 -0.08 0.00 -0.75 0.00 0.00 64.21 62.85 2caz n SER 45 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2caz h ILE 46 N 0.00 0.00 -0.17 2.46 2.04 0.73 -2.83 117.51 119.75 2caz h ILE 46 Ca 0.63 -0.18 0.03 0.00 1.00 0.00 0.00 64.86 66.34 2caz h ILE 46 Cb 1.53 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 2caz h ILE 46 CO -0.74 0.00 -0.41 0.58 0.00 0.00 0.00 178.15 177.59 2caz h VAL 47 N -1.29 0.00 -0.80 1.67 2.07 0.89 0.32 116.25 119.10 2caz h VAL 47 Ca -0.11 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 2caz h VAL 47 Cb 0.86 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 2caz h VAL 47 CO 0.19 0.00 0.50 0.16 0.02 0.00 0.00 177.57 178.43 2caz h ILE 48 N -0.38 1.22 0.35 4.57 -0.00 -1.60 -1.79 117.51 119.88 2caz h ILE 48 Ca 0.03 -0.46 -0.02 0.00 -0.00 0.00 0.00 64.86 64.42 2caz h ILE 48 Cb 0.48 0.07 0.00 0.00 -0.00 0.00 0.00 36.82 37.38 2caz h ILE 48 CO -0.36 0.22 -0.17 0.74 -0.00 0.00 0.00 178.15 178.58 2caz h THR 49 N 1.10 0.66 -0.40 0.16 2.02 -0.95 -3.03 112.91 112.46 2caz h THR 49 Ca 0.29 -0.31 0.06 0.00 0.77 0.00 0.00 66.41 67.22 2caz h THR 49 Cb -0.07 0.82 -0.09 0.00 -1.74 0.00 0.00 68.15 67.08 2caz h THR 49 CO -0.06 0.06 -0.49 0.25 0.37 0.00 0.00 175.52 175.66 2caz h LEU 50 N -0.65 -1.62 -0.91 2.58 6.46 0.00 -0.77 115.31 120.41 2caz h LEU 50 Ca -0.05 0.23 0.25 0.00 -0.12 0.00 0.00 57.88 58.19 2caz h LEU 50 Cb 0.47 0.68 -0.16 0.00 -0.73 0.00 0.00 40.66 40.92 2caz h LEU 50 CO 0.08 -0.39 0.14 -0.78 -0.62 0.00 0.00 178.44 176.87 2caz h ASP 51 N -0.36 -0.22 0.66 1.25 3.58 -1.23 0.60 116.42 120.69 2caz h ASP 51 Ca 0.11 0.23 -0.03 0.00 0.42 0.00 0.00 57.03 57.76 2caz h ASP 51 Cb 0.60 0.37 0.00 0.00 1.72 0.00 0.00 39.33 42.02 2caz h ASP 51 CO -0.58 -0.26 -0.34 0.45 -2.88 0.00 0.00 179.24 175.63 2caz h HIS 52 N 0.10 -0.88 -1.00 0.28 3.86 -1.07 -2.49 115.15 113.95 2caz h HIS 52 Ca 0.57 -0.02 0.13 0.00 -1.16 0.00 0.00 60.37 59.90 2caz h HIS 52 Cb 1.18 0.30 -0.15 0.00 1.06 0.00 0.00 27.41 29.80 2caz h HIS 52 CO -0.37 -0.54 -0.46 0.28 0.86 0.00 0.00 177.93 177.71 2caz n VAL 53 N -5.49 -0.58 -0.05 2.45 0.31 0.20 -0.05 118.33 115.12 2caz n VAL 53 Ca -0.13 2.37 -0.08 0.00 -0.01 0.00 0.00 64.34 66.48 2caz n VAL 53 Cb 0.38 -3.06 -0.02 0.00 -0.91 0.00 0.00 33.84 30.24 2caz n VAL 53 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2caz h GLU 54 N 0.00 -0.21 -0.24 5.55 4.81 -1.24 -1.19 114.58 122.06 2caz h GLU 54 Ca 0.29 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.58 2caz h GLU 54 Cb 0.53 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.91 2caz h GLU 54 CO -0.97 -0.14 -0.10 0.87 -0.73 0.00 0.00 179.01 177.93 2caz h LYS 55 N -0.22 -0.07 -0.99 1.92 1.57 0.00 -0.50 116.57 118.29 2caz h LYS 55 Ca 0.14 0.00 0.21 0.00 -1.87 0.00 0.00 60.65 59.14 2caz h LYS 55 Cb 0.43 0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.65 2caz h LYS 55 CO -0.37 -0.05 0.62 0.00 -0.57 0.00 0.00 179.45 179.09 2caz h ALA 56 N 1.14 1.91 0.00 3.86 0.00 0.34 0.15 119.26 126.66 2caz h ALA 56 Ca 0.13 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 2caz h ALA 56 Cb 0.26 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2caz h ALA 56 CO -0.29 -0.28 -0.53 -0.92 0.00 0.00 0.00 179.25 177.23 2caz h TYR 57 N 0.60 0.00 -0.02 0.00 3.20 -0.00 -2.13 116.97 118.62 2caz h TYR 57 Ca 0.57 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.44 2caz h TYR 57 Cb 1.12 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.39 2caz h TYR 57 CO -0.00 0.53 0.00 1.28 -1.64 0.00 0.00 178.16 178.33 2caz n LEU 58 N -3.78 0.45 -0.32 2.82 4.77 0.47 -2.58 117.00 118.84 2caz n LEU 58 Ca -0.01 -0.16 0.08 0.00 -0.03 0.00 0.00 56.01 55.88 2caz n LEU 58 Cb 0.57 -0.01 0.14 0.00 -2.33 0.00 0.00 43.42 41.79 2caz n LEU 58 CO 0.40 0.08 0.46 0.29 -1.33 0.00 0.00 177.39 177.30 2caz n LYS 59 N -0.60 1.19 0.00 3.23 5.02 -0.86 -4.99 118.16 121.15 2caz n LYS 59 Ca 0.20 -2.60 0.00 0.00 -2.02 0.00 0.00 58.31 53.89 2caz n LYS 59 Cb 0.17 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 2caz n LYS 59 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2caz n ASP 60 N -1.13 0.00 -0.29 4.39 10.43 -0.96 -4.75 116.55 124.25 2caz n ASP 60 Ca 0.15 0.00 0.04 0.00 2.57 0.00 0.00 54.79 57.55 2caz n ASP 60 Cb 0.68 -0.43 0.10 0.00 1.84 0.00 0.00 41.12 43.31 2caz n ASP 60 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 2caz n SER 61 N 0.00 -0.33 -4.91 -2.24 7.64 -0.87 -3.88 113.62 109.03 2caz n SER 61 Ca 0.00 1.37 -0.32 0.00 1.01 0.00 0.00 58.87 60.93 2caz n SER 61 Cb 0.00 -0.40 -0.04 0.00 -1.01 0.00 0.00 64.21 62.76 2caz n SER 61 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2caz s ILE 62 N -5.96 5.41 0.03 0.44 2.07 -1.23 -5.04 121.20 116.93 2caz s ILE 62 Ca -0.12 -0.27 0.02 0.00 -1.41 0.00 0.00 60.65 58.88 2caz s ILE 62 Cb 0.20 -3.58 -0.04 0.00 0.13 0.00 0.00 42.46 39.18 2caz s ILE 62 CO 0.61 0.24 0.02 -0.62 -1.91 0.00 0.00 174.94 173.28 2caz s ASP 63 N -2.21 5.21 0.05 4.50 -1.08 -1.25 -4.64 116.67 117.25 2caz s ASP 63 Ca 0.31 -0.04 -0.10 0.00 -0.52 0.00 0.00 52.55 52.21 2caz s ASP 63 Cb -0.13 -1.35 -0.02 0.00 -1.46 0.00 0.00 42.92 39.96 2caz s ASP 63 CO 0.23 0.24 0.55 -0.67 0.52 0.00 0.00 175.17 176.04 2caz n ASP 64 N 1.02 -0.33 -0.23 -0.34 4.64 -1.26 -0.01 116.55 120.05 2caz n ASP 64 Ca -0.12 0.63 -0.06 0.00 -1.38 0.00 0.00 54.79 53.85 2caz n ASP 64 Cb 0.52 -0.11 -0.05 0.00 -1.04 0.00 0.00 41.12 40.44 2caz n ASP 64 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 2caz n THR 65 N -4.05 -0.36 0.21 5.18 -2.24 -1.26 -0.91 114.28 110.85 2caz n THR 65 Ca 0.01 1.65 -0.16 0.00 -2.27 0.00 0.00 64.05 63.28 2caz n THR 65 Cb 0.08 -2.07 -0.09 0.00 -2.10 0.00 0.00 70.33 66.15 2caz n THR 65 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2caz h GLN 66 N 0.00 -0.81 -0.64 -0.78 1.08 -0.84 -3.29 115.11 109.83 2caz h GLN 66 Ca 0.09 0.05 0.14 0.00 -1.45 0.00 0.00 58.65 57.48 2caz h GLN 66 Cb 0.22 0.18 -0.11 0.00 -0.05 0.00 0.00 27.48 27.73 2caz h GLN 66 CO -0.50 -0.54 0.03 -0.92 -0.95 0.00 0.00 178.83 175.95 2caz h TYR 67 N -0.84 0.01 -0.20 2.96 5.03 -0.17 -2.69 116.97 121.07 2caz h TYR 67 Ca -0.04 0.05 -0.13 0.00 2.58 0.00 0.00 58.73 61.19 2caz h TYR 67 Cb 0.76 0.09 -0.01 0.00 1.55 0.00 0.00 36.73 39.12 2caz h TYR 67 CO -0.31 -0.15 -0.43 1.15 -1.32 0.00 0.00 178.16 177.10 2caz h THR 68 N 0.14 1.31 0.00 1.81 2.02 -1.46 -0.44 112.91 116.29 2caz h THR 68 Ca 0.34 -1.60 0.00 0.00 0.77 0.00 0.00 66.41 65.92 2caz h THR 68 Cb 0.56 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 2caz h THR 68 CO -0.53 0.50 0.00 0.59 0.37 0.00 0.00 175.52 176.45 2caz n ASN 69 N -4.01 0.00 -0.30 4.18 3.02 -1.03 -1.80 115.26 115.32 2caz n ASN 69 Ca -0.02 0.86 0.02 0.00 -0.03 0.00 0.00 54.58 55.42 2caz n ASN 69 Cb 0.52 -0.40 0.09 0.00 -0.61 0.00 0.00 39.78 39.38 2caz n ASN 69 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2caz h THR 70 N 0.00 0.13 0.80 3.41 1.35 -1.48 0.13 112.91 117.25 2caz h THR 70 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.82 2caz h THR 70 Cb 0.00 0.13 0.00 0.00 -1.73 0.00 0.00 68.15 66.56 2caz h THR 70 CO 0.00 0.00 -0.42 0.58 -0.25 0.00 0.00 175.52 175.43 2caz h VAL 71 N -0.02 0.14 -0.81 6.82 2.07 -1.16 0.78 116.25 124.08 2caz h VAL 71 Ca 0.39 0.00 0.17 0.00 0.82 0.00 0.00 66.70 68.08 2caz h VAL 71 Cb 0.61 0.14 -0.15 0.00 -1.52 0.00 0.00 31.29 30.37 2caz h VAL 71 CO -0.87 0.00 -0.13 -0.78 0.02 0.00 0.00 177.57 175.81 2caz h ASP 72 N -1.13 -0.63 -0.01 0.57 3.58 -0.46 0.35 116.42 118.69 2caz h ASP 72 Ca -0.11 0.23 0.03 0.00 0.42 0.00 0.00 57.03 57.61 2caz h ASP 72 Cb 0.88 0.46 -0.05 0.00 1.72 0.00 0.00 39.33 42.34 2caz h ASP 72 CO 0.15 -0.25 -0.31 0.50 -2.88 0.00 0.00 179.24 176.45 2caz h LYS 73 N 0.02 -0.44 0.14 0.28 3.64 -0.25 -0.18 116.57 119.79 2caz h LYS 73 Ca 0.41 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.84 2caz h LYS 73 Cb 0.68 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.56 2caz h LYS 73 CO -0.80 -0.29 -0.34 -0.07 -2.27 0.00 0.00 179.45 175.68 2caz h LEU 74 N -0.45 -0.98 -1.68 5.20 3.38 0.19 -0.88 115.31 120.09 2caz h LEU 74 Ca 0.06 0.11 0.17 0.00 0.09 0.00 0.00 57.88 58.31 2caz h LEU 74 Cb 0.55 0.37 -0.05 0.00 0.09 0.00 0.00 40.66 41.62 2caz h LEU 74 CO -0.27 -0.43 0.51 0.25 0.09 0.00 0.00 178.44 178.59 2caz h LEU 75 N -0.58 0.29 0.55 1.67 6.46 0.00 0.28 115.31 123.98 2caz h LEU 75 Ca 0.02 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.78 2caz h LEU 75 Cb 0.60 -0.04 0.01 0.00 -0.73 0.00 0.00 40.66 40.50 2caz h LEU 75 CO -0.19 0.14 -0.26 0.50 -0.62 0.00 0.00 178.44 178.01 2caz h LYS 76 N 0.30 -0.71 -0.75 1.25 3.11 -0.40 -3.23 116.57 116.15 2caz h LYS 76 Ca 0.37 0.05 0.14 0.00 -2.81 0.00 0.00 60.65 58.40 2caz h LYS 76 Cb 1.01 0.16 -0.14 0.00 -1.00 0.00 0.00 32.23 32.27 2caz h LYS 76 CO -0.10 -0.41 -0.28 1.96 -2.81 0.00 0.00 179.45 177.81 2caz h GLN 77 N -1.09 -0.06 -0.15 1.90 4.20 0.89 -1.88 115.11 118.92 2caz h GLN 77 Ca -0.08 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.65 2caz h GLN 77 Cb 0.62 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 2caz h GLN 77 CO 0.12 -0.04 -0.13 0.35 -0.67 0.00 0.00 178.83 178.46 2caz h PHE 78 N -0.06 -0.40 -1.27 2.96 3.57 -1.24 -1.02 116.94 119.48 2caz h PHE 78 Ca 0.32 0.02 0.38 0.00 3.53 0.00 0.00 57.97 62.21 2caz h PHE 78 Cb 0.57 0.19 -0.09 0.00 2.79 0.00 0.00 35.95 39.41 2caz h PHE 78 CO -0.67 -0.10 0.85 -0.22 -2.23 0.00 0.00 178.31 175.94 2caz h LYS 79 N -0.05 0.15 0.07 1.11 1.63 -1.36 0.41 116.57 118.54 2caz h LYS 79 Ca 0.02 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2caz h LYS 79 Cb 0.11 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 2caz h LYS 79 CO -0.17 0.10 -0.04 0.28 -3.45 0.00 0.00 179.45 176.18 2caz h VAL 80 N 0.15 1.06 -0.53 2.00 2.07 -1.03 -0.51 116.25 119.46 2caz h VAL 80 Ca 0.70 -0.45 0.09 0.00 0.82 0.00 0.00 66.70 67.86 2caz h VAL 80 Cb 2.29 1.35 -0.08 0.00 -1.52 0.00 0.00 31.29 33.34 2caz h VAL 80 CO -0.25 0.11 0.10 1.88 0.02 0.00 0.00 177.57 179.44 2caz h TYR 81 N -0.30 0.16 0.18 1.57 -1.99 0.19 0.10 116.97 116.88 2caz h TYR 81 Ca -0.01 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 2caz h TYR 81 Cb 0.26 0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.00 2caz h TYR 81 CO -0.01 -0.02 -0.08 -0.07 -0.00 0.00 0.00 178.16 177.98 2caz h LEU 82 N 0.24 -0.20 -1.86 3.88 3.38 -1.55 -2.98 115.31 116.23 2caz h LEU 82 Ca 0.27 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2caz h LEU 82 Cb 0.38 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2caz h LEU 82 CO -0.36 0.08 0.00 0.59 0.09 0.00 0.00 178.44 178.84 2caz n ASN 83 N -5.08 2.52 -4.73 -0.43 5.03 -0.20 -4.48 115.26 107.88 2caz n ASN 83 Ca -0.09 -1.86 -0.29 0.00 0.87 0.00 0.00 54.58 53.21 2caz n ASN 83 Cb 0.20 -0.46 0.15 0.00 -1.02 0.00 0.00 39.78 38.65 2caz n ASN 83 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2caz s SER 84 N 0.85 3.21 0.08 6.41 0.15 -0.07 -4.94 113.70 119.39 2caz s SER 84 Ca 0.00 1.21 -0.30 0.00 0.70 0.00 0.00 55.95 57.55 2caz s SER 84 Cb 0.00 -1.86 -0.16 0.00 -1.71 0.00 0.00 66.02 62.29 2caz s SER 84 CO 0.00 -2.77 1.64 -0.61 1.20 0.00 0.00 173.24 172.70 2caz h GLN 85 N -1.64 -0.67 -5.59 5.44 -0.00 -1.90 -3.15 115.11 107.59 2caz h GLN 85 Ca -0.52 0.05 -0.65 0.00 -0.00 0.00 0.00 58.65 57.53 2caz h GLN 85 Cb 1.31 0.15 -0.07 0.00 0.00 0.00 0.00 27.48 28.88 2caz h GLN 85 CO 0.58 -0.45 2.21 0.09 0.00 0.00 0.00 178.83 181.26 2caz n ASN 86 N -5.41 4.60 -0.03 -0.69 3.02 -1.26 -4.57 115.26 110.92 2caz n ASN 86 Ca -0.11 -2.89 -0.20 0.00 -0.03 0.00 0.00 54.58 51.35 2caz n ASN 86 Cb 0.31 -1.73 -0.13 0.00 -0.61 0.00 0.00 39.78 37.62 2caz n ASN 86 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2caz n LYS 87 N 8.10 0.73 -0.16 3.52 0.00 -1.19 -4.39 118.16 124.77 2caz n LYS 87 Ca 0.49 0.23 -0.11 0.00 0.00 0.00 0.00 58.31 58.92 2caz n LYS 87 Cb 0.45 -1.65 -0.08 0.00 0.00 0.00 0.00 35.03 33.75 2caz n LYS 87 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2caz h GLU 88 N 0.05 -0.25 -0.83 1.64 3.07 -1.90 -1.69 114.58 114.67 2caz h GLU 88 Ca -0.47 0.02 0.16 0.00 -0.50 0.00 0.00 59.36 58.57 2caz h GLU 88 Cb 2.00 0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 29.90 2caz h GLU 88 CO 0.04 -0.17 0.55 0.93 -1.40 0.00 0.00 179.01 178.96 2caz h GLU 89 N -0.26 0.47 0.00 2.33 4.39 -1.96 0.51 114.58 120.07 2caz h GLU 89 Ca 0.07 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2caz h GLU 89 Cb 0.45 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2caz h GLU 89 CO -0.53 0.31 0.00 -0.89 -1.16 0.00 0.00 179.01 176.74 2caz n ILE 90 N -4.51 0.00 -0.45 3.13 5.41 -0.65 -1.95 119.36 120.33 2caz n ILE 90 Ca 0.16 0.82 0.38 0.00 1.00 0.00 0.00 62.75 65.11 2caz n ILE 90 Cb 0.56 -1.66 0.69 0.00 -0.71 0.00 0.00 39.64 38.52 2caz n ILE 90 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 2caz h ASN 91 N 0.00 0.16 0.00 4.38 -0.26 -1.32 -0.74 115.58 117.80 2caz h ASN 91 Ca 0.00 0.07 0.00 0.00 -0.56 0.00 0.00 56.30 55.81 2caz h ASN 91 Cb 0.00 0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.31 2caz h ASN 91 CO 0.00 -0.06 0.00 1.17 -1.06 0.00 0.00 177.43 177.48 2caz n LYS 92 N -4.40 0.00 0.00 0.81 0.00 0.18 -1.77 118.16 112.99 2caz n LYS 92 Ca 0.34 0.00 0.11 0.00 0.00 0.00 0.00 58.31 58.76 2caz n LYS 92 Cb 1.43 -0.43 0.57 0.00 0.00 0.00 0.00 35.03 36.60 2caz n LYS 92 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2caz n HIS 93 N 0.00 0.00 -3.11 5.64 8.25 -0.82 -4.04 115.22 121.14 2caz n HIS 93 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.25 2caz n HIS 93 Cb 0.00 -0.24 -0.05 0.00 1.12 0.00 0.00 29.99 30.82 2caz n HIS 93 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2caz n PHE 94 N -1.24 -1.05 -0.00 4.41 3.01 -0.29 -5.11 117.46 117.19 2caz n PHE 94 Ca 0.11 -3.15 0.00 0.00 1.01 0.00 0.00 57.45 55.42 2caz n PHE 94 Cb 0.16 0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 2caz n PHE 94 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 2caz n GLN 95 N 1.58 0.54 -1.50 -1.08 3.00 -0.73 -3.93 117.38 115.27 2caz n GLN 95 Ca 0.19 0.00 -0.46 0.00 -0.01 0.00 0.00 57.00 56.73 2caz n GLN 95 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.77 2caz n GLN 95 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2caz n SER 96 N -0.46 0.11 0.17 1.08 7.64 -1.26 -4.36 113.62 116.53 2caz n SER 96 Ca 0.00 1.14 -0.12 0.00 1.01 0.00 0.00 58.87 60.90 2caz n SER 96 Cb 0.00 -1.14 -0.07 0.00 -1.01 0.00 0.00 64.21 61.99 2caz n SER 96 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2caz h ILE 97 N 1.49 0.51 -0.90 0.44 1.08 -1.99 -2.25 117.51 115.89 2caz h ILE 97 Ca -0.35 -0.69 0.30 0.00 -0.39 0.00 0.00 64.86 63.73 2caz h ILE 97 Cb 1.38 0.78 -0.17 0.00 -3.07 0.00 0.00 36.82 35.75 2caz h ILE 97 CO 0.58 0.10 0.20 1.21 -0.69 0.00 0.00 178.15 179.55 2caz n GLU 98 N -5.12 -0.06 0.05 2.37 2.13 -1.26 -0.17 120.64 118.58 2caz n GLU 98 Ca -0.09 1.30 -0.04 0.00 0.66 0.00 0.00 57.16 59.00 2caz n GLU 98 Cb 0.27 -2.17 -0.02 0.00 0.27 0.00 0.00 31.44 29.79 2caz n GLU 98 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2caz h ALA 99 N 1.79 -0.78 0.00 4.31 0.00 -1.75 -2.73 119.26 120.11 2caz h ALA 99 Ca 0.63 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.50 2caz h ALA 99 Cb 1.46 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.66 2caz h ALA 99 CO -0.79 -0.79 0.56 0.35 0.00 0.00 0.00 179.25 178.59 2caz h PHE 100 N -0.19 0.00 0.00 0.00 3.57 -0.24 1.20 116.94 121.28 2caz h PHE 100 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2caz h PHE 100 Cb 0.17 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.91 2caz h PHE 100 CO -0.17 0.00 0.00 0.00 -2.23 0.00 0.00 178.31 175.91 2caz n ASP 102 N -2.95 1.95 -0.37 0.00 8.00 0.41 -3.78 116.55 119.80 2caz n ASP 102 Ca 0.03 0.30 0.33 0.00 0.71 0.00 0.00 54.79 56.16 2caz n ASP 102 Cb 0.41 -0.81 0.57 0.00 -0.02 0.00 0.00 41.12 41.27 2caz n ASP 102 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2caz n THR 103 N -4.15 -0.26 -4.90 -3.53 -1.04 -1.13 -3.95 114.28 95.32 2caz n THR 103 Ca -0.48 1.61 -0.33 0.00 -2.04 0.00 0.00 64.05 62.82 2caz n THR 103 Cb 0.86 -2.64 -0.14 0.00 -1.82 0.00 0.00 70.33 66.59 2caz n THR 103 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2caz s TYR 104 N -5.10 2.72 -0.57 -1.42 1.51 -1.24 -5.03 117.35 108.21 2caz s TYR 104 Ca -0.07 -0.50 -0.26 0.00 -1.01 0.00 0.00 57.07 55.23 2caz s TYR 104 Cb 0.28 -1.73 -0.05 0.00 -0.11 0.00 0.00 41.96 40.34 2caz s TYR 104 CO 0.70 -0.08 2.16 -0.80 -1.11 0.00 0.00 175.55 176.42 2caz s ASN 105 N -0.10 4.79 -0.07 2.29 0.02 -1.25 -4.78 114.94 115.84 2caz s ASN 105 Ca -0.02 0.65 -0.03 0.00 -1.02 0.00 0.00 52.86 52.44 2caz s ASN 105 Cb -0.14 -2.52 0.04 0.00 0.02 0.00 0.00 41.25 38.66 2caz s ASN 105 CO 0.04 -2.71 0.14 -0.63 0.02 0.00 0.00 177.10 173.96 2caz s ILE 106 N 10.91 -0.19 -0.19 0.60 1.01 -1.25 -5.11 121.20 126.99 2caz s ILE 106 Ca 0.83 0.33 -0.02 0.00 0.00 0.00 0.00 60.65 61.79 2caz s ILE 106 Cb -0.15 -0.25 -0.01 0.00 0.01 0.00 0.00 42.46 42.07 2caz s ILE 106 CO 0.22 0.14 -0.09 -0.89 0.00 0.00 0.00 174.94 174.31 2caz s THR 107 N 2.01 3.08 -0.42 2.92 2.01 -1.26 -4.81 115.64 119.18 2caz s THR 107 Ca 0.01 -0.61 0.09 0.00 0.31 0.00 0.00 61.69 61.48 2caz s THR 107 Cb -0.12 -2.36 0.37 0.00 0.01 0.00 0.00 72.50 70.40 2caz s THR 107 CO -0.05 0.47 1.22 0.00 -0.69 0.00 0.00 174.62 175.57 2caz n ALA 108 N 4.37 0.65 0.02 7.40 0.00 -1.26 -5.01 120.51 126.68 2caz n ALA 108 Ca -0.19 -1.56 0.22 0.00 0.00 0.00 0.00 53.44 51.92 2caz n ALA 108 Cb 0.51 -1.05 0.70 0.00 0.00 0.00 0.00 19.45 19.61 2caz n ALA 108 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2caz h SER 109 N 2.47 0.00 0.09 0.00 0.02 -1.99 0.11 113.55 114.27 2caz h SER 109 Ca -0.19 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2caz h SER 109 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2caz h SER 109 CO 0.06 0.00 -0.05 0.78 -1.14 0.00 0.00 176.83 176.49 2caz h ASN 110 N 0.00 -0.11 -0.92 3.07 2.35 -1.95 -3.38 115.58 114.65 2caz h ASN 110 Ca 0.26 -0.05 0.14 0.00 -0.55 0.00 0.00 56.30 56.09 2caz h ASN 110 Cb 1.42 0.03 -0.15 0.00 0.05 0.00 0.00 38.32 39.67 2caz h ASN 110 CO -0.00 0.40 -0.41 0.00 -1.65 0.00 0.00 177.43 175.77 2caz h ALA 111 N -0.97 0.03 -0.15 -0.83 0.00 -1.09 0.35 119.26 116.60 2caz h ALA 111 Ca -0.01 0.24 0.04 0.00 0.00 0.00 0.00 54.91 55.18 2caz h ALA 111 Cb 0.15 1.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2caz h ALA 111 CO 0.02 -0.68 0.24 0.82 0.00 0.00 0.00 179.25 179.66 2caz h ILE 112 N -0.04 0.28 0.11 0.00 2.04 -1.55 0.61 117.51 118.95 2caz h ILE 112 Ca 0.30 0.00 -0.33 0.00 1.00 0.00 0.00 64.86 65.84 2caz h ILE 112 Cb 0.57 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 2caz h ILE 112 CO -0.93 0.00 -1.73 0.74 0.00 0.00 0.00 178.15 176.23 2caz h THR 113 N 0.00 0.91 0.00 -0.27 2.02 -0.50 -2.89 112.91 112.18 2caz h THR 113 Ca 0.07 -2.61 -0.04 0.00 0.77 0.00 0.00 66.41 64.60 2caz h THR 113 Cb 0.56 2.62 -0.01 0.00 -1.74 0.00 0.00 68.15 69.58 2caz h THR 113 CO -0.00 0.79 -0.20 -0.09 0.37 0.00 0.00 175.52 176.38 2caz h ARG 114 N 0.06 0.00 0.00 6.66 9.65 0.73 -2.52 114.38 128.96 2caz h ARG 114 Ca -0.32 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.56 2caz h ARG 114 Cb 2.03 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.61 2caz h ARG 114 CO 0.13 0.20 -0.03 1.25 2.80 0.00 0.00 179.97 184.32 2caz h LEU 115 N 0.00 0.00 -2.16 3.80 5.85 -0.17 -3.37 115.31 119.27 2caz h LEU 115 Ca -0.00 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.74 2caz h LEU 115 Cb 0.58 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 2caz h LEU 115 CO 0.03 0.23 0.29 -0.33 -0.34 0.00 0.00 178.44 178.32 2caz h GLU 116 N -0.44 0.00 -4.89 1.25 5.08 -1.59 -3.19 114.58 110.81 2caz h GLU 116 Ca 0.00 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.71 2caz h GLU 116 Cb 0.03 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.07 2caz h GLU 116 CO 0.00 0.00 -0.56 0.50 -1.00 0.00 0.00 179.01 177.95 2caz s ARG 117 N -4.20 3.70 -0.32 2.33 3.52 -0.95 -5.02 118.95 118.01 2caz s ARG 117 Ca -0.04 -0.47 -0.03 0.00 -0.13 0.00 0.00 55.73 55.06 2caz s ARG 117 Cb 0.11 -3.52 0.07 0.00 -1.56 0.00 0.00 34.95 30.04 2caz s ARG 117 CO 0.34 -0.24 2.57 0.41 -0.81 0.00 0.00 175.30 177.57 2caz n GLY 118 N 5.00 3.97 3.60 8.12 0.00 -1.21 -4.60 105.19 120.07 2caz n GLY 118 Ca -0.15 -1.40 -0.14 0.00 0.00 0.00 0.00 46.02 44.33 2caz n GLY 118 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2caz s ILE 119 N -1.71 0.00 -0.09 -0.61 -4.36 -1.26 -5.09 121.20 108.09 2caz s ILE 119 Ca 0.46 0.00 -0.04 0.00 -0.26 0.00 0.00 60.65 60.82 2caz s ILE 119 Cb 0.30 -1.00 -0.01 0.00 1.25 0.00 0.00 42.46 43.00 2caz s ILE 119 CO -0.10 0.00 -0.07 1.55 0.24 0.00 0.00 174.94 176.55 2caz h PRO 120 N 4.35 0.00 0.04 0.37 0.14 -1.91 -3.43 132.00 131.57 2caz h PRO 120 Ca -0.28 0.00 -0.19 0.00 0.14 0.00 0.00 66.00 65.67 2caz h PRO 120 Cb 1.16 0.00 0.02 0.00 0.14 0.00 0.00 31.00 32.31 2caz h PRO 120 CO 0.15 0.00 -0.77 0.82 0.14 0.00 0.00 178.00 178.34 2caz h ILE 121 N -0.68 1.41 -0.94 -3.56 1.08 -1.99 -3.47 117.51 109.36 2caz h ILE 121 Ca 0.00 -2.23 -0.19 0.00 -0.39 0.00 0.00 64.86 62.05 2caz h ILE 121 Cb 0.21 2.70 -0.07 0.00 -3.07 0.00 0.00 36.82 36.59 2caz h ILE 121 CO 0.00 0.65 -0.17 0.41 -0.69 0.00 0.00 178.15 178.36 2caz n THR 122 N -4.11 0.00 0.00 -0.27 -1.04 -1.26 -5.25 114.28 102.34 2caz n THR 122 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 2caz n THR 122 Cb 0.76 -1.06 0.00 0.00 -1.82 0.00 0.00 70.33 68.21 2caz n THR 122 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43