#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3r h TYR 10 N 0.00 0.50 -0.06 1.09 -1.99 -1.97 -3.24 116.97 111.30 2h3r h TYR 10 Ca 0.00 -0.17 -0.00 0.00 2.00 0.00 0.00 58.73 60.56 2h3r h TYR 10 Cb 0.00 -0.10 -0.00 0.00 2.00 0.00 0.00 36.73 38.63 2h3r h TYR 10 CO 0.00 0.83 0.03 0.93 -0.00 0.00 0.00 178.16 179.95 2h3r h GLU 11 N 0.33 0.09 -1.24 4.88 5.08 -1.91 -0.82 114.58 120.99 2h3r h GLU 11 Ca 0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2h3r h GLU 11 Cb 0.99 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.23 2h3r h GLU 11 CO 0.09 0.15 0.00 0.39 -1.00 0.00 0.00 179.01 178.63 2h3r n GLU 12 N -5.00 0.30 0.00 2.33 1.02 -1.22 -0.58 120.64 117.49 2h3r n GLU 12 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 2h3r n GLU 12 Cb 0.07 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 2h3r n GLU 12 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2h3r n VAL 14 N 0.68 0.00 -0.32 2.62 0.31 -0.31 -1.74 118.33 119.57 2h3r n VAL 14 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.37 2h3r n VAL 14 Cb 0.13 0.00 0.19 0.00 -0.91 0.00 0.00 33.84 33.24 2h3r n VAL 14 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2h3r h LYS 15 N 0.00 0.88 0.06 5.55 3.64 -1.07 0.10 116.57 125.73 2h3r h LYS 15 Ca 0.00 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2h3r h LYS 15 Cb 0.00 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 2h3r h LYS 15 CO 0.00 0.59 -0.03 1.49 -2.27 0.00 0.00 179.45 179.23 2h3r h GLU 16 N 0.91 -0.07 -0.63 1.90 4.57 -1.57 -0.68 114.58 119.01 2h3r h GLU 16 Ca 0.43 0.00 0.09 0.00 -1.18 0.00 0.00 59.36 58.71 2h3r h GLU 16 Cb 0.36 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.89 2h3r h GLU 16 CO -0.24 0.37 0.25 0.28 -1.18 0.00 0.00 179.01 178.49 2h3r h VAL 17 N -0.54 0.78 -0.42 0.32 2.07 -1.73 -0.96 116.25 115.77 2h3r h VAL 17 Ca -0.01 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.38 2h3r h VAL 17 Cb 0.48 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 2h3r h VAL 17 CO 0.01 0.08 0.24 -0.08 0.02 0.00 0.00 177.57 177.84 2h3r h GLU 18 N 0.44 0.47 -0.10 1.57 4.57 -0.77 -1.52 114.58 119.24 2h3r h GLU 18 Ca 0.31 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.47 2h3r h GLU 18 Cb 0.38 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 2h3r h GLU 18 CO -0.30 0.31 0.05 -0.09 -1.18 0.00 0.00 179.01 177.80 2h3r h ARG 19 N 0.49 0.10 0.00 1.92 2.43 -0.05 -1.97 114.38 117.30 2h3r h ARG 19 Ca 0.17 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 2h3r h ARG 19 Cb 0.02 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2h3r h ARG 19 CO -0.08 0.07 -0.04 -0.07 -1.51 0.00 0.00 179.97 178.34 2h3r h LEU 20 N 0.10 0.00 -0.12 3.80 3.38 -0.95 -1.58 115.31 119.94 2h3r h LEU 20 Ca 0.04 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 2h3r h LEU 20 Cb 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2h3r h LEU 20 CO -0.03 0.04 -0.63 0.11 0.09 0.00 0.00 178.44 178.02 2h3r h LYS 21 N 0.00 0.00 0.02 1.13 1.57 -0.62 -0.47 116.57 118.20 2h3r h LYS 21 Ca -0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 2h3r h LYS 21 Cb 0.07 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.39 2h3r h LYS 21 CO 0.00 0.63 -0.50 -0.07 -0.57 0.00 0.00 179.45 178.95 2h3r h LEU 22 N 0.00 0.40 -1.43 2.94 3.38 -0.65 -1.42 115.31 118.54 2h3r h LEU 22 Ca -0.01 -0.81 -0.05 0.00 0.09 0.00 0.00 57.88 57.11 2h3r h LEU 22 Cb 1.43 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 2h3r h LEU 22 CO 0.08 1.16 -0.17 -0.08 0.09 0.00 0.00 178.44 179.52 2h3r h GLU 23 N -0.31 0.16 -0.35 1.13 4.81 -1.37 0.12 114.58 118.77 2h3r h GLU 23 Ca -0.07 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 58.98 2h3r h GLU 23 Cb 1.25 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 2h3r h GLU 23 CO 0.10 0.34 -0.37 -0.97 -0.73 0.00 0.00 179.01 177.37 2h3r h ASN 24 N 0.15 0.87 -0.32 1.04 -0.73 -1.06 -2.02 115.58 113.51 2h3r h ASN 24 Ca 0.03 -0.39 -0.02 0.00 1.87 0.00 0.00 56.30 57.79 2h3r h ASN 24 Cb 0.40 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.73 2h3r h ASN 24 CO 0.03 1.15 0.11 0.50 -0.37 0.00 0.00 177.43 178.84 2h3r h LYS 25 N 0.68 0.49 -0.44 6.67 3.64 -0.02 -1.83 116.57 125.76 2h3r h LYS 25 Ca 0.06 -0.10 -0.09 0.00 -1.27 0.00 0.00 60.65 59.25 2h3r h LYS 25 Cb 0.94 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.67 2h3r h LYS 25 CO 0.09 0.52 -0.09 1.15 -2.27 0.00 0.00 179.45 178.85 2h3r h THR 26 N 0.36 1.25 -0.39 1.00 2.02 -0.98 -2.17 112.91 114.01 2h3r h THR 26 Ca 0.10 -1.14 -0.13 0.00 0.77 0.00 0.00 66.41 66.02 2h3r h THR 26 Cb 0.23 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 2h3r h THR 26 CO -0.00 0.39 -0.29 -0.07 0.37 0.00 0.00 175.52 175.92 2h3r h LEU 27 N 0.72 0.86 -1.03 2.58 3.38 -1.21 -1.87 115.31 118.74 2h3r h LEU 27 Ca 0.13 -0.34 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 2h3r h LEU 27 Cb 0.56 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2h3r h LEU 27 CO 0.03 1.08 -0.33 0.11 0.09 0.00 0.00 178.44 179.43 2h3r h LYS 28 N 0.70 0.28 0.00 1.13 1.57 -1.25 -2.26 116.57 116.74 2h3r h LYS 28 Ca 0.08 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 2h3r h LYS 28 Cb 0.83 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 2h3r h LYS 28 CO 0.07 0.58 -0.40 1.96 -0.57 0.00 0.00 179.45 181.09 2h3r h GLN 29 N 0.24 0.00 0.06 3.15 4.20 -1.11 -3.21 115.11 118.44 2h3r h GLN 29 Ca 0.03 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.46 2h3r h GLN 29 Cb 0.71 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.51 2h3r h GLN 29 CO 0.05 0.40 -1.13 0.87 -0.67 0.00 0.00 178.83 178.36 2h3r h LYS 30 N 0.00 0.66 -2.51 1.46 1.57 -0.78 -3.33 116.57 113.65 2h3r h LYS 30 Ca -0.00 -0.79 -0.24 0.00 -1.87 0.00 0.00 60.65 57.75 2h3r h LYS 30 Cb 0.82 0.24 -0.03 0.00 0.08 0.00 0.00 32.23 33.34 2h3r h LYS 30 CO 0.05 1.35 0.69 1.33 -0.57 0.00 0.00 179.45 182.30 2h3r n VAL 31 N -3.84 2.52 -3.98 0.50 0.24 -0.98 -5.11 118.33 107.68 2h3r n VAL 31 Ca -0.12 -1.34 -0.31 0.00 -2.04 0.00 0.00 64.34 60.53 2h3r n VAL 31 Cb 0.93 -2.00 -0.05 0.00 -1.47 0.00 0.00 33.84 31.25 2h3r n VAL 31 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2h3r s LYS 32 N 1.85 3.19 0.00 7.34 0.00 -1.25 -5.05 119.74 125.81 2h3r s LYS 32 Ca 0.51 -0.55 0.00 0.00 0.00 0.00 0.00 55.97 55.93 2h3r s LYS 32 Cb 0.21 -2.90 0.00 0.00 0.00 0.00 0.00 37.83 35.14 2h3r s LYS 32 CO -0.01 0.59 0.00 0.45 0.00 0.00 0.00 175.35 176.38 2h3r n SER 39 N 0.40 0.00 -0.84 0.03 2.88 -1.26 -5.21 113.62 109.63 2h3r n SER 39 Ca -0.07 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.57 2h3r n SER 39 Cb 0.51 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 64.10 2h3r n SER 39 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2h3r n ASP 40 N 1.22 2.83 -4.41 -3.46 -0.08 -1.26 -4.84 116.55 106.54 2h3r n ASP 40 Ca 0.00 -1.84 -0.44 0.00 -1.51 0.00 0.00 54.79 51.00 2h3r n ASP 40 Cb 0.00 -0.10 -0.04 0.00 2.34 0.00 0.00 41.12 43.32 2h3r n ASP 40 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2h3r s ASP 41 N -1.42 6.29 0.77 1.67 2.15 -1.26 -5.04 116.67 119.82 2h3r s ASP 41 Ca 0.26 -1.45 -0.11 0.00 0.43 0.00 0.00 52.55 51.69 2h3r s ASP 41 Cb 0.17 -2.36 0.05 0.00 -0.30 0.00 0.00 42.92 40.49 2h3r s ASP 41 CO 0.24 -1.20 1.09 -0.44 -0.17 0.00 0.00 175.17 174.70 2h3r s SER 42 N 3.58 4.52 0.23 -0.34 0.01 -1.26 -5.02 113.70 115.42 2h3r s SER 42 Ca 0.19 1.84 -0.20 0.00 1.31 0.00 0.00 55.95 59.09 2h3r s SER 42 Cb -0.18 -2.52 -0.08 0.00 0.21 0.00 0.00 66.02 63.45 2h3r s SER 42 CO 0.04 -2.02 0.75 -0.63 0.41 0.00 0.00 173.24 171.78 2h3r s ILE 43 N -2.86 4.54 0.55 1.44 1.09 -1.26 -5.03 121.20 119.67 2h3r s ILE 43 Ca 0.62 1.33 -0.20 0.00 -1.10 0.00 0.00 60.65 61.29 2h3r s ILE 43 Cb -0.17 -3.87 -0.05 0.00 -1.06 0.00 0.00 42.46 37.31 2h3r s ILE 43 CO 0.55 0.19 1.23 -0.22 -0.10 0.00 0.00 174.94 176.59 2h3r s LEU 44 N -2.01 3.78 0.08 2.97 2.96 -1.26 -5.03 118.68 120.17 2h3r s LEU 44 Ca 0.44 2.44 0.02 0.00 -0.22 0.00 0.00 54.13 56.81 2h3r s LEU 44 Cb -0.17 -4.45 -0.04 0.00 0.50 0.00 0.00 46.19 42.03 2h3r s LEU 44 CO 0.21 -1.42 0.15 0.28 -1.32 0.00 0.00 176.35 174.25 2h3r s THR 45 N -1.53 4.99 0.28 3.68 -1.32 -1.26 -4.93 115.64 115.55 2h3r s THR 45 Ca 0.73 -0.59 -0.04 0.00 -1.21 0.00 0.00 61.69 60.58 2h3r s THR 45 Cb -0.32 -3.43 0.36 0.00 -1.51 0.00 0.00 72.50 67.60 2h3r s THR 45 CO 0.36 0.11 1.60 0.00 -2.21 0.00 0.00 174.62 174.48 2h3r h ALA 46 N 3.10 0.92 -0.10 11.08 0.00 -1.99 0.17 119.26 132.44 2h3r h ALA 46 Ca -0.46 0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2h3r h ALA 46 Cb 1.16 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 19.49 2h3r h ALA 46 CO 0.71 -0.48 -0.14 0.00 0.00 0.00 0.00 179.25 179.34 2h3r h ALA 47 N 1.86 0.15 -0.35 0.00 0.00 -1.99 -2.49 119.26 116.44 2h3r h ALA 47 Ca 0.50 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 55.13 2h3r h ALA 47 Cb 0.93 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 2h3r h ALA 47 CO -0.82 0.03 0.07 -0.22 0.00 0.00 0.00 179.25 178.31 2h3r h LYS 48 N -0.17 0.19 0.23 0.00 1.63 -1.57 0.44 116.57 117.33 2h3r h LYS 48 Ca 0.01 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2h3r h LYS 48 Cb 0.69 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.26 2h3r h LYS 48 CO 0.03 0.12 -0.21 -0.09 -3.45 0.00 0.00 179.45 175.85 2h3r h ARG 49 N 0.19 -0.46 -0.89 1.90 2.43 -0.77 -0.34 114.38 116.45 2h3r h ARG 49 Ca 0.17 0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.46 2h3r h ARG 49 Cb 0.19 0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 29.77 2h3r h ARG 49 CO -0.22 -0.30 0.53 1.49 -1.51 0.00 0.00 179.97 179.96 2h3r h GLU 50 N -0.47 0.88 -0.55 0.20 4.57 -0.99 0.48 114.58 118.70 2h3r h GLU 50 Ca -0.01 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 2h3r h GLU 50 Cb 0.43 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 2h3r h GLU 50 CO -0.04 0.58 0.32 1.03 -1.18 0.00 0.00 179.01 179.72 2h3r h SER 51 N 0.91 0.67 -0.47 1.04 0.87 0.34 -0.07 113.55 116.83 2h3r h SER 51 Ca 0.42 -0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 60.83 2h3r h SER 51 Cb 0.33 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 2h3r h SER 51 CO -0.23 0.55 0.03 0.40 -0.53 0.00 0.00 176.83 177.05 2h3r h ILE 52 N 0.73 1.25 -0.17 2.23 2.04 0.19 -2.42 117.51 121.36 2h3r h ILE 52 Ca 0.19 -1.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.00 2h3r h ILE 52 Cb 0.01 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2h3r h ILE 52 CO -0.03 0.36 -0.06 0.40 0.00 0.00 0.00 178.15 178.82 2h3r h ILE 53 N 0.82 1.30 -0.60 -0.67 5.03 -0.50 -1.87 117.51 121.03 2h3r h ILE 53 Ca 0.16 -1.06 -0.02 0.00 -0.12 0.00 0.00 64.86 63.82 2h3r h ILE 53 Cb 0.45 1.65 -0.03 0.00 -3.03 0.00 0.00 36.82 35.86 2h3r h ILE 53 CO 0.02 0.31 0.30 0.58 -0.68 0.00 0.00 178.15 178.68 2h3r h VAL 54 N 0.03 1.19 0.14 1.67 2.07 -0.94 -1.64 116.25 118.77 2h3r h VAL 54 Ca 0.04 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 2h3r h VAL 54 Cb 0.51 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2h3r h VAL 54 CO 0.02 0.22 -0.07 0.28 0.02 0.00 0.00 177.57 178.04 2h3r h SER 55 N 0.84 -0.16 -0.65 0.57 0.02 -1.41 -2.63 113.55 110.12 2h3r h SER 55 Ca 0.21 -0.39 0.11 0.00 -0.84 0.00 0.00 61.79 60.88 2h3r h SER 55 Cb 0.06 0.04 -0.08 0.00 0.14 0.00 0.00 62.40 62.56 2h3r h SER 55 CO -0.03 0.39 0.24 0.28 -1.14 0.00 0.00 176.83 176.58 2h3r h SER 56 N -0.81 0.23 -0.14 3.07 0.02 -1.31 0.14 113.55 114.75 2h3r h SER 56 Ca -0.02 0.09 0.02 0.00 -0.84 0.00 0.00 61.79 61.04 2h3r h SER 56 Cb 0.54 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 2h3r h SER 56 CO 0.03 0.13 0.02 0.28 -1.14 0.00 0.00 176.83 176.14 2h3r h SER 57 N 0.42 -0.01 -0.69 3.07 0.02 -1.38 0.50 113.55 115.48 2h3r h SER 57 Ca 0.34 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 2h3r h SER 57 Cb 0.44 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 2h3r h SER 57 CO -0.34 0.02 0.44 0.03 -1.14 0.00 0.00 176.83 175.84 2h3r h ARG 58 N 0.07 0.92 0.24 3.45 3.08 -0.87 0.62 114.38 121.90 2h3r h ARG 58 Ca 0.06 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2h3r h ARG 58 Cb 0.06 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.91 2h3r h ARG 58 CO -0.09 0.63 -0.12 0.00 -1.07 0.00 0.00 179.97 179.32 2h3r h ALA 59 N 1.24 -0.33 -0.02 0.04 0.00 -0.44 -0.21 119.26 119.54 2h3r h ALA 59 Ca 0.25 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2h3r h ALA 59 Cb -0.08 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2h3r h ALA 59 CO -0.05 -0.63 0.02 -0.07 0.00 0.00 0.00 179.25 178.52 2h3r h LEU 60 N -0.44 0.00 -0.64 0.00 3.38 -0.65 -1.02 115.31 115.94 2h3r h LEU 60 Ca -0.03 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 2h3r h LEU 60 Cb 0.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2h3r h LEU 60 CO 0.05 0.00 0.02 1.23 0.09 0.00 0.00 178.44 179.83 2h3r h GLY 61 N 0.00 1.17 0.98 0.83 0.00 0.12 -0.79 103.07 105.38 2h3r h GLY 61 Ca 0.01 -0.84 -0.01 0.00 0.00 0.00 0.00 47.33 46.48 2h3r h GLY 61 CO -0.00 0.78 0.29 0.00 0.00 0.00 0.00 176.54 177.60 2h3r h ALA 62 N 1.01 0.70 -0.62 3.60 0.00 0.27 -2.14 119.26 122.09 2h3r h ALA 62 Ca 0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2h3r h ALA 62 Cb 0.54 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2h3r h ALA 62 CO 0.03 0.24 0.37 0.28 0.00 0.00 0.00 179.25 180.16 2h3r h VAL 63 N 0.73 1.18 0.00 0.00 2.07 -1.22 -1.58 116.25 117.44 2h3r h VAL 63 Ca 0.19 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.29 2h3r h VAL 63 Cb 0.07 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 2h3r h VAL 63 CO -0.03 0.19 0.00 0.00 0.02 0.00 0.00 177.57 177.75 2h3r n ALA 64 N -2.30 1.27 0.00 1.67 0.00 -0.32 -1.60 120.51 119.23 2h3r n ALA 64 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2h3r n ALA 64 Cb 0.06 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.51 2h3r n ALA 64 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2h3r n ARG 66 N 0.68 0.00 -0.08 0.00 1.85 -0.59 -0.88 116.66 117.64 2h3r n ARG 66 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.75 2h3r n ARG 66 Cb 0.02 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.40 2h3r n ARG 66 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 2h3r h LYS 67 N 0.00 0.40 -0.65 2.89 1.57 -1.55 -1.93 116.57 117.30 2h3r h LYS 67 Ca 0.00 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2h3r h LYS 67 Cb 0.00 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 2h3r h LYS 67 CO 0.00 0.44 0.42 0.82 -0.57 0.00 0.00 179.45 180.55 2h3r h ILE 68 N 0.28 1.11 -0.49 1.86 1.08 -1.25 -1.16 117.51 118.94 2h3r h ILE 68 Ca 0.09 -0.28 -0.04 0.00 -0.39 0.00 0.00 64.86 64.24 2h3r h ILE 68 Cb 0.19 0.21 -0.02 0.00 -3.07 0.00 0.00 36.82 34.13 2h3r h ILE 68 CO -0.01 0.15 0.16 -0.08 -0.69 0.00 0.00 178.15 177.69 2h3r h GLU 69 N 0.83 0.76 0.46 2.37 4.81 -1.78 -0.70 114.58 121.32 2h3r h GLU 69 Ca 0.25 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 2h3r h GLU 69 Cb -0.02 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 2h3r h GLU 69 CO -0.09 0.70 -0.29 0.00 -0.73 0.00 0.00 179.01 178.60 2h3r h ALA 70 N 1.02 -0.73 -0.22 2.92 0.00 -0.97 0.27 119.26 121.55 2h3r h ALA 70 Ca 0.16 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2h3r h ALA 70 Cb 0.25 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2h3r h ALA 70 CO -0.01 -0.92 -0.00 0.87 0.00 0.00 0.00 179.25 179.18 2h3r h LYS 71 N -0.72 0.06 0.51 0.00 1.57 -1.14 0.35 116.57 117.19 2h3r h LYS 71 Ca -0.05 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2h3r h LYS 71 Cb 0.60 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 2h3r h LYS 71 CO 0.04 0.04 -0.44 0.28 -0.57 0.00 0.00 179.45 178.81 2h3r h VAL 72 N 0.06 0.13 -0.89 0.50 2.07 -1.01 0.57 116.25 117.67 2h3r h VAL 72 Ca 0.10 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.83 2h3r h VAL 72 Cb 0.13 0.13 -0.12 0.00 -1.52 0.00 0.00 31.29 29.91 2h3r h VAL 72 CO -0.18 0.00 0.42 0.03 0.02 0.00 0.00 177.57 177.86 2h3r h ARG 73 N -0.93 0.46 -0.32 1.57 3.08 -0.18 0.55 114.38 118.59 2h3r h ARG 73 Ca -0.06 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 2h3r h ARG 73 Cb 0.80 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 2h3r h ARG 73 CO -0.02 0.30 -0.07 1.03 -1.07 0.00 0.00 179.97 180.14 2h3r h SER 74 N 0.47 0.62 1.30 7.04 0.87 0.76 -3.00 113.55 121.60 2h3r h SER 74 Ca 0.54 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2h3r h SER 74 Cb 0.98 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 2h3r h SER 74 CO -0.48 0.83 -0.09 0.54 -0.53 0.00 0.00 176.83 177.10 2h3r n ARG 75 N -4.46 0.22 0.00 2.24 1.74 0.19 -3.34 116.66 113.25 2h3r n ARG 75 Ca -0.02 0.16 0.12 0.00 -0.77 0.00 0.00 57.85 57.33 2h3r n ARG 75 Cb 0.32 -1.73 0.13 0.00 -1.02 0.00 0.00 32.46 30.15 2h3r n ARG 75 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2h3r n ALA 76 N -1.74 3.71 -0.27 7.54 0.00 0.08 -4.36 120.51 125.48 2h3r n ALA 76 Ca 0.06 -0.51 0.17 0.00 0.00 0.00 0.00 53.44 53.16 2h3r n ALA 76 Cb 0.41 -0.95 0.46 0.00 0.00 0.00 0.00 19.45 19.38 2h3r n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h3r h ALA 77 N 3.44 2.07 0.00 0.00 0.00 -1.52 -1.39 119.26 121.85 2h3r h ALA 77 Ca 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2h3r h ALA 77 Cb 0.57 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2h3r h ALA 77 CO 0.00 -0.37 -0.19 1.57 0.00 0.00 0.00 179.25 180.26 2h3r h LYS 78 N 0.51 0.00 -6.98 0.00 2.10 -1.83 -3.44 116.57 106.92 2h3r h LYS 78 Ca 0.49 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.61 2h3r h LYS 78 Cb 1.08 0.00 0.10 0.00 -0.90 0.00 0.00 32.23 32.50 2h3r h LYS 78 CO -0.22 0.19 0.62 0.00 -2.00 0.00 0.00 179.45 178.04 2h3r s ALA 79 N -3.86 3.15 0.00 0.07 0.00 -0.53 -4.92 121.76 115.67 2h3r s ALA 79 Ca -0.01 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.22 2h3r s ALA 79 Cb 0.11 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.72 2h3r s ALA 79 CO 0.62 -0.98 0.07 0.28 0.00 0.00 0.00 175.76 175.75 2h3r n VAL 80 N -0.21 0.00 -4.37 0.00 0.31 -1.26 -4.92 118.33 107.88 2h3r n VAL 80 Ca 0.05 -0.18 -0.20 0.00 -0.01 0.00 0.00 64.34 64.01 2h3r n VAL 80 Cb 0.44 1.24 -0.10 0.00 -0.91 0.00 0.00 33.84 34.51 2h3r n VAL 80 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2h3r s THR 81 N -0.22 1.81 0.21 2.52 -4.23 -1.26 -5.02 115.64 109.46 2h3r s THR 81 Ca 0.00 -2.22 -0.09 0.00 -1.18 0.00 0.00 61.69 58.20 2h3r s THR 81 Cb 0.00 -2.14 0.17 0.00 1.34 0.00 0.00 72.50 71.87 2h3r s THR 81 CO 0.00 -0.53 1.85 -0.08 -0.54 0.00 0.00 174.62 175.32 2h3r h GLU 82 N 2.48 1.10 0.19 3.99 4.81 -1.98 0.17 114.58 125.33 2h3r h GLU 82 Ca -0.39 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 2h3r h GLU 82 Cb 1.23 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.39 2h3r h GLU 82 CO 0.63 0.79 -0.09 1.96 -0.73 0.00 0.00 179.01 181.56 2h3r h GLN 83 N 1.10 -0.24 -0.16 1.92 1.08 -1.98 -1.38 115.11 115.45 2h3r h GLN 83 Ca 0.28 0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.54 2h3r h GLN 83 Cb -0.01 0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.44 2h3r h GLN 83 CO -0.05 0.04 -0.09 0.93 -0.95 0.00 0.00 178.83 178.71 2h3r h GLU 84 N -0.52 -0.08 -0.42 1.46 5.08 -1.90 0.27 114.58 118.46 2h3r h GLU 84 Ca -0.03 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 2h3r h GLU 84 Cb 0.39 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 2h3r h GLU 84 CO 0.04 -0.05 0.20 1.25 -1.00 0.00 0.00 179.01 179.45 2h3r h LEU 85 N -0.08 0.28 -0.76 1.33 5.85 -0.65 0.13 115.31 121.40 2h3r h LEU 85 Ca 0.09 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.72 2h3r h LEU 85 Cb 0.22 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2h3r h LEU 85 CO -0.21 0.20 -0.39 0.74 -0.34 0.00 0.00 178.44 178.44 2h3r h THR 86 N 0.40 1.30 -0.24 1.05 2.02 -0.89 -1.66 112.91 114.90 2h3r h THR 86 Ca 0.19 -1.54 -0.03 0.00 0.77 0.00 0.00 66.41 65.79 2h3r h THR 86 Cb 0.11 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 2h3r h THR 86 CO -0.14 0.48 0.02 -1.28 0.37 0.00 0.00 175.52 174.97 2h3r h SER 87 N 0.39 0.39 -0.31 4.18 0.87 0.14 -2.58 113.55 116.64 2h3r h SER 87 Ca 0.04 -0.28 -0.02 0.00 -1.23 0.00 0.00 61.79 60.30 2h3r h SER 87 Cb 0.86 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 2h3r h SER 87 CO 0.07 0.58 0.13 0.25 -0.53 0.00 0.00 176.83 177.33 2h3r h LEU 88 N 0.19 0.43 -0.37 2.23 6.46 -0.65 -2.87 115.31 120.74 2h3r h LEU 88 Ca 0.07 -0.16 -0.00 0.00 -0.12 0.00 0.00 57.88 57.67 2h3r h LEU 88 Cb 0.36 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 2h3r h LEU 88 CO 0.01 0.48 0.22 -0.07 -0.62 0.00 0.00 178.44 178.46 2h3r h LEU 89 N 0.36 0.44 -0.48 2.25 3.38 -1.31 -2.62 115.31 117.33 2h3r h LEU 89 Ca 0.11 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.10 2h3r h LEU 89 Cb 0.18 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 2h3r h LEU 89 CO -0.01 0.37 0.08 1.56 0.09 0.00 0.00 178.44 180.53 2h3r h GLN 90 N 0.48 0.21 0.00 1.13 4.20 -1.42 -0.79 115.11 118.92 2h3r h GLN 90 Ca 0.13 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2h3r h GLN 90 Cb 0.00 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.74 2h3r h GLN 90 CO -0.02 0.14 0.00 -1.13 -0.67 0.00 0.00 178.83 177.14 2h3r n SER 91 N -5.13 0.00 -4.73 1.46 3.41 -1.09 -4.85 113.62 102.69 2h3r n SER 91 Ca 0.05 -0.47 -0.41 0.00 -0.26 0.00 0.00 58.87 57.78 2h3r n SER 91 Cb 0.24 -0.12 -0.04 0.00 -0.26 0.00 0.00 64.21 64.03 2h3r n SER 91 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2h3r s LEU 92 N -2.23 4.46 -0.05 1.04 1.43 -0.30 -5.04 118.68 117.98 2h3r s LEU 92 Ca 0.30 2.12 0.00 0.00 -1.03 0.00 0.00 54.13 55.53 2h3r s LEU 92 Cb 0.16 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.80 2h3r s LEU 92 CO 0.31 -0.30 -0.04 -0.89 0.23 0.00 0.00 176.35 175.66 2h3r s THR 93 N -0.01 0.52 -0.07 5.49 2.01 -1.26 -5.07 115.64 117.25 2h3r s THR 93 Ca 0.52 -0.08 0.04 0.00 0.31 0.00 0.00 61.69 62.48 2h3r s THR 93 Cb -0.30 -0.58 0.00 0.00 0.01 0.00 0.00 72.50 71.63 2h3r s THR 93 CO 0.35 0.24 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.57 2h3r s LEU 94 N 1.18 1.90 -0.19 4.42 1.43 -1.26 -5.10 118.68 121.06 2h3r s LEU 94 Ca -0.07 -0.42 -0.15 0.00 -1.03 0.00 0.00 54.13 52.46 2h3r s LEU 94 Cb -0.14 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.93 2h3r s LEU 94 CO -0.01 0.12 0.36 -0.60 0.23 0.00 0.00 176.35 176.45 2h3r s ARG 95 N 0.33 4.19 -0.08 1.70 3.52 -1.26 -5.06 118.95 122.29 2h3r s ARG 95 Ca -0.13 0.15 0.03 0.00 -0.13 0.00 0.00 55.73 55.65 2h3r s ARG 95 Cb -0.15 -3.51 0.01 0.00 -1.56 0.00 0.00 34.95 29.74 2h3r s ARG 95 CO 0.05 0.04 -0.16 0.08 -0.81 0.00 0.00 175.30 174.51 2h3r s VAL 96 N 1.06 1.44 -0.13 7.11 1.01 -1.26 -5.12 120.40 124.51 2h3r s VAL 96 Ca 0.18 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 2h3r s VAL 96 Cb -0.14 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 2h3r s VAL 96 CO 0.07 0.42 0.07 -1.81 0.00 0.00 0.00 175.10 173.85 2h3r s ASP 97 N 0.62 5.77 0.01 3.32 -0.00 -1.26 -5.10 116.67 120.03 2h3r s ASP 97 Ca -0.15 0.23 0.02 0.00 -0.00 0.00 0.00 52.55 52.66 2h3r s ASP 97 Cb -0.16 -1.85 -0.01 0.00 -0.00 0.00 0.00 42.92 40.90 2h3r s ASP 97 CO 0.05 0.32 -0.08 0.68 -0.00 0.00 0.00 175.17 176.13 2h3r s VAL 98 N -0.48 0.59 0.00 -1.27 -7.23 -1.26 -4.95 120.40 105.80 2h3r s VAL 98 Ca 0.10 -0.55 0.00 0.00 -1.81 0.00 0.00 61.98 59.72 2h3r s VAL 98 Cb -0.12 -0.54 0.00 0.00 0.56 0.00 0.00 36.38 36.28 2h3r s VAL 98 CO 0.02 0.00 0.00 -0.24 -0.31 0.00 0.00 175.10 174.57 2h3r n SER 99 N 2.46 0.00 0.00 4.85 2.88 -1.26 -5.05 113.62 117.50 2h3r n SER 99 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 2h3r n SER 99 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 2h3r n SER 99 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2h3r n GLU 101 N 0.00 -0.09 -0.00 -1.46 0.28 -1.26 -3.95 120.64 114.16 2h3r n GLU 101 Ca 0.00 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.11 2h3r n GLU 101 Cb 0.00 -0.18 0.09 0.00 1.43 0.00 0.00 31.44 32.77 2h3r n GLU 101 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2h3r n GLU 102 N 0.08 1.92 0.00 3.44 1.02 -1.26 -5.24 120.64 120.61 2h3r n GLU 102 Ca 0.00 -1.76 0.04 0.00 -0.02 0.00 0.00 57.16 55.42 2h3r n GLU 102 Cb 0.00 -1.40 0.22 0.00 -0.02 0.00 0.00 31.44 30.23 2h3r n GLU 102 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59