#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p51 s ASN 2 N 0.00 4.92 0.16 6.12 2.20 -1.26 -4.92 114.94 122.16 1p51 s ASN 2 Ca 0.00 -0.57 -0.20 0.00 -0.94 0.00 0.00 52.86 51.14 1p51 s ASN 2 Cb 0.00 -0.00 0.06 0.00 -2.00 0.00 0.00 41.25 39.30 1p51 s ASN 2 CO 0.00 -1.44 1.64 0.50 -2.94 0.00 0.00 177.10 174.86 1p51 h LYS 3 N -0.02 -0.16 -0.40 3.55 3.64 -2.05 -0.01 116.57 121.12 1p51 h LYS 3 Ca -0.34 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.11 1p51 h LYS 3 Cb 1.28 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 33.08 1p51 h LYS 3 CO 0.42 -0.11 0.09 0.78 -2.27 0.00 0.00 179.45 178.37 1p51 h GLY 4 N -0.17 0.49 1.70 5.01 0.00 -1.99 0.21 103.07 108.32 1p51 h GLY 4 Ca 0.16 -0.04 -0.07 0.00 0.00 0.00 0.00 47.33 47.38 1p51 h GLY 4 CO -0.41 -0.02 -0.19 0.83 0.00 0.00 0.00 176.54 176.75 1p51 h GLU 5 N 0.23 0.36 -0.30 4.80 5.08 -1.86 -2.29 114.58 120.59 1p51 h GLU 5 Ca 0.19 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 1p51 h GLU 5 Cb 0.22 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1p51 h GLU 5 CO -0.24 0.54 -0.20 1.25 -1.00 0.00 0.00 179.01 179.36 1p51 h LEU 6 N 0.33 0.70 -0.22 1.33 5.85 -0.05 -2.98 115.31 120.27 1p51 h LEU 6 Ca 0.06 -0.43 0.04 0.00 0.84 0.00 0.00 57.88 58.39 1p51 h LEU 6 Cb 0.53 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1p51 h LEU 6 CO 0.03 0.99 -0.05 0.58 -0.34 0.00 0.00 178.44 179.65 1p51 h VAL 7 N 0.43 0.78 -0.29 1.05 2.07 -0.37 0.18 116.25 120.10 1p51 h VAL 7 Ca 0.06 -0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.64 1p51 h VAL 7 Cb 0.75 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 31.22 1p51 h VAL 7 CO 0.06 0.00 -0.15 0.44 0.02 0.00 0.00 177.57 177.93 1p51 h ASP 8 N 0.01 -0.52 -0.77 0.57 3.32 -1.44 0.35 116.42 117.94 1p51 h ASP 8 Ca 0.11 0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 1p51 h ASP 8 Cb 0.16 0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 1p51 h ASP 8 CO -0.22 -0.19 0.36 0.00 -1.72 0.00 0.00 179.24 177.47 1p51 h ALA 9 N 1.10 0.99 -0.08 3.45 0.00 -1.33 -1.12 119.26 122.26 1p51 h ALA 9 Ca 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1p51 h ALA 9 Cb 0.35 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1p51 h ALA 9 CO -0.37 0.56 0.02 0.28 0.00 0.00 0.00 179.25 179.74 1p51 h VAL 10 N 1.08 1.20 -0.72 0.00 2.07 -0.36 -0.50 116.25 119.01 1p51 h VAL 10 Ca 0.26 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 67.22 1p51 h VAL 10 Cb 0.13 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 1p51 h VAL 10 CO -0.03 0.17 0.48 0.00 0.02 0.00 0.00 177.57 178.20 1p51 h ALA 11 N 0.80 1.58 0.11 1.67 0.00 -0.21 0.12 119.26 123.33 1p51 h ALA 11 Ca 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1p51 h ALA 11 Cb 0.25 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1p51 h ALA 11 CO 0.00 0.35 -0.05 1.49 0.00 0.00 0.00 179.25 181.04 1p51 h GLU 12 N 0.88 -0.14 -0.02 0.00 4.57 -1.05 -1.85 114.58 116.97 1p51 h GLU 12 Ca 0.29 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.47 1p51 h GLU 12 Cb 0.05 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1p51 h GLU 12 CO -0.08 0.14 -0.00 0.87 -1.18 0.00 0.00 179.01 178.76 1p51 h LYS 13 N -0.42 0.03 0.00 1.92 1.57 -0.59 -3.11 116.57 115.97 1p51 h LYS 13 Ca -0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1p51 h LYS 13 Cb 0.34 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1p51 h LYS 13 CO 0.02 0.36 0.00 0.00 -0.57 0.00 0.00 179.45 179.27 1p51 n ALA 14 N -2.27 2.23 -3.47 3.86 0.00 0.37 -4.92 120.51 116.31 1p51 n ALA 14 Ca -0.08 -0.11 -0.18 0.00 0.00 0.00 0.00 53.44 53.07 1p51 n ALA 14 Cb 0.19 -1.41 0.07 0.00 0.00 0.00 0.00 19.45 18.30 1p51 n ALA 14 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1p51 n SER 15 N -1.35 -3.08 -4.27 0.00 7.64 -1.03 -5.04 113.62 106.49 1p51 n SER 15 Ca 0.10 -0.71 -0.19 0.00 1.01 0.00 0.00 58.87 59.08 1p51 n SER 15 Cb 0.23 -4.80 -0.10 0.00 -1.01 0.00 0.00 64.21 58.53 1p51 n SER 15 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1p51 s VAL 16 N -3.45 0.65 0.60 0.44 -7.23 -0.73 -5.06 120.40 105.62 1p51 s VAL 16 Ca 0.13 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.15 1p51 s VAL 16 Cb -0.02 -2.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 1p51 s VAL 16 CO 0.76 0.00 1.04 0.28 -0.31 0.00 0.00 175.10 176.87 1p51 s THR 17 N -3.60 4.02 0.33 5.32 -1.32 -1.26 -4.51 115.64 114.62 1p51 s THR 17 Ca 0.36 0.89 0.01 0.00 -1.21 0.00 0.00 61.69 61.74 1p51 s THR 17 Cb 0.07 -3.47 0.24 0.00 -1.51 0.00 0.00 72.50 67.83 1p51 s THR 17 CO 0.15 -0.62 1.96 0.11 -2.21 0.00 0.00 174.62 174.00 1p51 h LYS 18 N 0.30 0.86 -0.71 7.08 1.57 -1.91 -0.68 116.57 123.08 1p51 h LYS 18 Ca -0.46 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.18 1p51 h LYS 18 Cb 1.21 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 33.31 1p51 h LYS 18 CO 0.58 0.62 0.21 -0.22 -0.57 0.00 0.00 179.45 180.08 1p51 h LYS 19 N 0.87 1.12 -0.35 3.15 3.64 -1.97 -1.48 116.57 121.55 1p51 h LYS 19 Ca 0.23 -0.25 -0.16 0.00 -1.27 0.00 0.00 60.65 59.20 1p51 h LYS 19 Cb -0.00 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1p51 h LYS 19 CO -0.04 0.96 -0.42 0.37 -2.27 0.00 0.00 179.45 178.05 1p51 h GLN 20 N 1.06 0.90 -0.79 1.90 4.15 -1.77 -0.70 115.11 119.85 1p51 h GLN 20 Ca 0.23 -0.50 -0.04 0.00 0.77 0.00 0.00 58.65 59.10 1p51 h GLN 20 Cb 0.32 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.00 1p51 h GLN 20 CO -0.01 1.15 0.32 0.00 -1.93 0.00 0.00 178.83 178.37 1p51 h ALA 21 N 0.73 1.07 -0.26 3.38 0.00 -1.05 -2.22 119.26 120.93 1p51 h ALA 21 Ca 0.04 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 1p51 h ALA 21 Cb 1.02 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1p51 h ALA 21 CO 0.10 0.66 -0.37 0.22 0.00 0.00 0.00 179.25 179.86 1p51 h ASP 22 N 1.15 0.77 -0.67 0.00 1.82 -1.20 -1.97 116.42 116.32 1p51 h ASP 22 Ca 0.27 -0.51 0.01 0.00 -0.39 0.00 0.00 57.03 56.40 1p51 h ASP 22 Cb 0.20 -0.22 -0.03 0.00 0.68 0.00 0.00 39.33 39.96 1p51 h ASP 22 CO -0.02 1.13 0.44 0.00 -1.61 0.00 0.00 179.24 179.18 1p51 h ALA 23 N 0.66 0.85 -0.05 -0.78 0.00 -0.99 0.53 119.26 119.48 1p51 h ALA 23 Ca 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1p51 h ALA 23 Cb 0.96 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1p51 h ALA 23 CO 0.09 0.26 -0.03 0.28 0.00 0.00 0.00 179.25 179.85 1p51 h VAL 24 N 0.90 1.34 -0.55 0.00 2.07 -1.46 -2.52 116.25 116.03 1p51 h VAL 24 Ca 0.25 -1.07 0.03 0.00 0.82 0.00 0.00 66.70 66.73 1p51 h VAL 24 Cb -0.09 1.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 1p51 h VAL 24 CO -0.06 0.29 0.32 0.25 0.02 0.00 0.00 177.57 178.39 1p51 h LEU 25 N -0.30 0.50 0.10 2.57 5.85 -1.14 0.27 115.31 123.16 1p51 h LEU 25 Ca 0.01 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1p51 h LEU 25 Cb 0.48 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1p51 h LEU 25 CO 0.01 0.35 -0.15 0.74 -0.34 0.00 0.00 178.44 179.05 1p51 h THR 26 N 0.62 0.67 -0.82 1.05 2.02 -0.96 -1.21 112.91 114.28 1p51 h THR 26 Ca 0.23 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.44 1p51 h THR 26 Cb 0.07 0.67 -0.05 0.00 -1.74 0.00 0.00 68.15 67.09 1p51 h THR 26 CO -0.12 0.00 0.52 0.00 0.37 0.00 0.00 175.52 176.29 1p51 h ALA 27 N 0.57 1.07 -0.29 6.16 0.00 -0.98 -0.24 119.26 125.55 1p51 h ALA 27 Ca 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1p51 h ALA 27 Cb 0.30 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1p51 h ALA 27 CO -0.07 0.35 0.14 0.00 0.00 0.00 0.00 179.25 179.67 1p51 h ALA 28 N 1.34 0.37 -0.19 0.00 0.00 -0.27 -1.38 119.26 119.12 1p51 h ALA 28 Ca 0.32 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.97 1p51 h ALA 28 Cb 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1p51 h ALA 28 CO -0.11 -0.08 -0.59 -0.07 0.00 0.00 0.00 179.25 178.40 1p51 h LEU 29 N 0.33 0.71 -0.71 0.00 3.38 -0.99 -2.30 115.31 115.73 1p51 h LEU 29 Ca 0.10 -0.40 -0.13 0.00 0.09 0.00 0.00 57.88 57.54 1p51 h LEU 29 Cb 0.10 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1p51 h LEU 29 CO -0.01 1.14 -0.41 -0.33 0.09 0.00 0.00 178.44 178.92 1p51 h GLU 30 N 0.47 0.52 -0.26 1.13 5.08 -1.00 -2.59 114.58 117.93 1p51 h GLU 30 Ca 0.00 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.02 1p51 h GLU 30 Cb 1.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1p51 h GLU 30 CO 0.11 0.84 -0.14 1.15 -1.00 0.00 0.00 179.01 179.97 1p51 h THR 31 N 0.43 1.30 -0.77 1.13 2.02 -1.23 -2.50 112.91 113.29 1p51 h THR 31 Ca 0.04 -1.23 0.12 0.00 0.77 0.00 0.00 66.41 66.10 1p51 h THR 31 Cb 0.90 1.54 -0.08 0.00 -1.74 0.00 0.00 68.15 68.77 1p51 h THR 31 CO 0.08 0.39 0.38 0.40 0.37 0.00 0.00 175.52 177.13 1p51 h ILE 32 N 0.29 0.78 -0.33 3.11 2.04 -1.33 -1.14 117.51 120.93 1p51 h ILE 32 Ca 0.06 -0.20 -0.09 0.00 1.00 0.00 0.00 64.86 65.62 1p51 h ILE 32 Cb 0.65 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1p51 h ILE 32 CO 0.04 0.11 -0.16 0.40 0.00 0.00 0.00 178.15 178.54 1p51 h ILE 33 N 0.60 1.29 -0.68 -0.67 2.04 -1.40 -2.18 117.51 116.50 1p51 h ILE 33 Ca 0.40 -1.28 -0.05 0.00 1.00 0.00 0.00 64.86 64.93 1p51 h ILE 33 Cb 0.50 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 1p51 h ILE 33 CO -0.32 0.41 0.23 -0.33 0.00 0.00 0.00 178.15 178.14 1p51 h GLU 34 N 0.46 1.03 -0.23 2.37 5.08 -1.00 -1.18 114.58 121.11 1p51 h GLU 34 Ca 0.07 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 1p51 h GLU 34 Cb 0.70 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1p51 h GLU 34 CO 0.05 0.87 -0.09 0.00 -1.00 0.00 0.00 179.01 178.84 1p51 h ALA 35 N 1.25 0.32 -0.57 3.43 0.00 -1.18 -1.73 119.26 120.78 1p51 h ALA 35 Ca 0.22 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1p51 h ALA 35 Cb 0.25 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1p51 h ALA 35 CO -0.01 0.14 0.20 0.28 0.00 0.00 0.00 179.25 179.86 1p51 h VAL 36 N 0.18 1.21 -0.15 0.00 2.07 -1.29 0.64 116.25 118.92 1p51 h VAL 36 Ca 0.05 -0.69 -0.14 0.00 0.82 0.00 0.00 66.70 66.74 1p51 h VAL 36 Cb 0.57 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1p51 h VAL 36 CO 0.03 0.27 -0.52 0.28 0.02 0.00 0.00 177.57 177.65 1p51 h SER 37 N 0.82 0.45 0.13 0.57 0.02 -1.12 -2.93 113.55 111.50 1p51 h SER 37 Ca 0.19 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1p51 h SER 37 Cb 0.20 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1p51 h SER 37 CO -0.01 0.89 -0.01 -1.54 -1.14 0.00 0.00 176.83 175.02 1p51 n SER 38 N -3.95 0.24 0.00 3.07 3.41 -0.66 -4.89 113.62 110.83 1p51 n SER 38 Ca -0.02 -0.87 0.00 0.00 -0.26 0.00 0.00 58.87 57.71 1p51 n SER 38 Cb 0.58 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1p51 n SER 38 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p51 n GLY 39 N 1.10 0.89 3.86 5.00 0.00 -1.08 -5.08 105.19 109.88 1p51 n GLY 39 Ca 0.21 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1p51 n GLY 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1p51 s ASP 40 N -2.20 6.14 -0.21 1.61 3.68 0.19 -4.99 116.67 120.89 1p51 s ASP 40 Ca 0.00 0.28 -0.15 0.00 2.13 0.00 0.00 52.55 54.81 1p51 s ASP 40 Cb 0.00 -1.88 -0.04 0.00 -1.45 0.00 0.00 42.92 39.55 1p51 s ASP 40 CO 0.00 0.26 0.35 -0.75 0.13 0.00 0.00 175.17 175.16 1p51 s LYS 41 N -1.88 4.14 -0.36 4.34 2.20 -1.26 -3.61 119.74 123.31 1p51 s LYS 41 Ca 0.26 0.10 -0.16 0.00 -0.36 0.00 0.00 55.97 55.81 1p51 s LYS 41 Cb -0.12 -3.54 -0.00 0.00 -1.51 0.00 0.00 37.83 32.65 1p51 s LYS 41 CO 0.17 -0.03 0.41 0.08 -0.36 0.00 0.00 175.35 175.62 1p51 s VAL 42 N 1.30 5.12 -0.19 4.02 1.01 0.53 -4.94 120.40 127.25 1p51 s VAL 42 Ca 0.17 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.13 1p51 s VAL 42 Cb -0.15 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 1p51 s VAL 42 CO 0.07 -0.19 -0.02 -0.89 0.00 0.00 0.00 175.10 174.08 1p51 s THR 43 N 2.13 3.85 -0.25 3.92 2.01 -1.26 0.05 115.64 126.09 1p51 s THR 43 Ca 0.13 -0.35 0.01 0.00 0.31 0.00 0.00 61.69 61.79 1p51 s THR 43 Cb -0.16 -2.73 0.07 0.00 0.01 0.00 0.00 72.50 69.69 1p51 s THR 43 CO 0.12 0.44 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.71 1p51 s LEU 44 N 0.89 2.79 0.40 4.42 1.43 0.95 -5.00 118.68 124.56 1p51 s LEU 44 Ca 0.00 -1.32 -0.25 0.00 -1.03 0.00 0.00 54.13 51.53 1p51 s LEU 44 Cb -0.14 -1.21 -0.11 0.00 0.03 0.00 0.00 46.19 44.76 1p51 s LEU 44 CO 0.02 -0.26 1.07 1.33 0.23 0.00 0.00 176.35 178.73 1p51 n VAL 45 N 4.64 2.36 0.00 -1.59 0.24 -1.26 -0.68 118.33 122.03 1p51 n VAL 45 Ca -0.10 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.70 1p51 n VAL 45 Cb 0.44 -1.23 0.00 0.00 -1.47 0.00 0.00 33.84 31.57 1p51 n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1p51 n GLY 46 N 1.10 1.61 0.00 7.63 0.00 -1.26 -4.62 105.19 109.65 1p51 n GLY 46 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1p51 n GLY 46 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1p51 n PHE 47 N 0.00 0.00 -3.64 1.61 7.35 -1.02 -1.96 117.46 119.80 1p51 n PHE 47 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1p51 n PHE 47 Cb 0.00 -0.22 0.00 0.00 0.35 0.00 0.00 39.48 39.61 1p51 n PHE 47 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1p51 n GLY 48 N 0.80 -0.99 2.90 7.13 0.00 0.15 0.05 105.19 115.23 1p51 n GLY 48 Ca 0.00 -1.01 -0.14 0.00 0.00 0.00 0.00 46.02 44.87 1p51 n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1p51 s SER 49 N -4.00 0.27 -0.01 1.61 1.04 -0.13 -0.03 113.70 112.46 1p51 s SER 49 Ca 0.00 -0.04 0.02 0.00 0.48 0.00 0.00 55.95 56.41 1p51 s SER 49 Cb 0.00 -0.04 -0.03 0.00 0.10 0.00 0.00 66.02 66.05 1p51 s SER 49 CO 0.00 0.02 -0.02 -0.36 0.98 0.00 0.00 173.24 173.86 1p51 s PHE 50 N 0.01 3.03 0.19 5.02 0.40 0.11 -0.75 117.98 125.99 1p51 s PHE 50 Ca 0.00 0.06 -0.21 0.00 -0.60 0.00 0.00 56.93 56.18 1p51 s PHE 50 Cb -0.02 -1.67 0.05 0.00 0.51 0.00 0.00 43.02 41.90 1p51 s PHE 50 CO -0.00 0.44 0.60 -1.83 0.70 0.00 0.00 175.22 175.13 1p51 s GLU 51 N -1.45 1.41 0.26 0.44 -1.05 -1.02 -0.34 118.70 116.94 1p51 s GLU 51 Ca 0.18 -0.69 -0.13 0.00 -0.15 0.00 0.00 54.97 54.18 1p51 s GLU 51 Cb -0.11 0.57 -0.08 0.00 -0.44 0.00 0.00 34.13 34.07 1p51 s GLU 51 CO 0.09 -0.62 0.64 -1.12 0.95 0.00 0.00 175.26 175.20 1p51 s SER 52 N -2.82 6.75 -0.03 0.83 0.01 -1.26 -0.80 113.70 116.38 1p51 s SER 52 Ca 0.05 1.13 0.01 0.00 1.31 0.00 0.00 55.95 58.45 1p51 s SER 52 Cb -0.02 -2.31 0.01 0.00 0.21 0.00 0.00 66.02 63.91 1p51 s SER 52 CO -0.06 -0.10 -0.04 -0.13 0.41 0.00 0.00 173.24 173.32 1p51 s ARG 53 N -2.72 0.58 -0.09 12.44 0.52 -0.63 -4.92 118.95 124.12 1p51 s ARG 53 Ca 0.49 -0.09 -0.21 0.00 -0.52 0.00 0.00 55.73 55.40 1p51 s ARG 53 Cb -0.12 -0.62 -0.04 0.00 0.52 0.00 0.00 34.95 34.70 1p51 s ARG 53 CO 0.19 -0.03 0.58 -1.21 0.02 0.00 0.00 175.30 174.86 1p51 s GLU 54 N 0.59 4.39 -0.15 3.54 2.02 -1.26 -1.28 118.70 126.54 1p51 s GLU 54 Ca -0.07 0.65 -0.05 0.00 0.02 0.00 0.00 54.97 55.52 1p51 s GLU 54 Cb -0.10 -3.44 -0.03 0.00 0.10 0.00 0.00 34.13 30.65 1p51 s GLU 54 CO -0.00 0.11 0.01 1.03 0.02 0.00 0.00 175.26 176.43 1p51 s ARG 55 N 0.72 3.68 0.66 1.61 0.52 0.11 -4.99 118.95 121.25 1p51 s ARG 55 Ca 0.31 -0.42 -0.11 0.00 -0.52 0.00 0.00 55.73 54.99 1p51 s ARG 55 Cb -0.16 -3.02 -0.02 0.00 0.52 0.00 0.00 34.95 32.27 1p51 s ARG 55 CO 0.14 0.34 1.05 0.15 0.02 0.00 0.00 175.30 177.00 1p51 s LYS 56 N 0.13 3.28 0.44 3.54 -0.14 -1.26 -1.43 119.74 124.29 1p51 s LYS 56 Ca 0.02 0.78 -0.25 0.00 -1.36 0.00 0.00 55.97 55.15 1p51 s LYS 56 Cb -0.13 -2.04 -0.09 0.00 -1.68 0.00 0.00 37.83 33.89 1p51 s LYS 56 CO 0.02 -0.81 1.36 0.00 -0.76 0.00 0.00 175.35 175.16 1p51 n ALA 57 N -2.91 1.70 -2.23 5.17 0.00 -1.26 -4.58 120.51 116.40 1p51 n ALA 57 Ca 0.07 0.26 -0.08 0.00 0.00 0.00 0.00 53.44 53.68 1p51 n ALA 57 Cb 0.54 -2.34 -0.10 0.00 0.00 0.00 0.00 19.45 17.56 1p51 n ALA 57 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1p51 s ARG 58 N -2.33 0.61 0.03 0.00 1.70 -0.58 -4.94 118.95 113.43 1p51 s ARG 58 Ca 0.61 -1.15 -0.30 0.00 -0.47 0.00 0.00 55.73 54.42 1p51 s ARG 58 Cb -0.48 0.12 -0.04 0.00 -0.57 0.00 0.00 34.95 33.98 1p51 s ARG 58 CO 0.58 -0.08 1.02 -1.21 -1.08 0.00 0.00 175.30 174.53 1p51 s GLU 59 N -3.55 4.55 0.31 3.89 2.02 -1.26 0.01 118.70 124.67 1p51 s GLU 59 Ca 0.05 1.50 0.03 0.00 0.02 0.00 0.00 54.97 56.57 1p51 s GLU 59 Cb 0.05 -3.42 -0.01 0.00 0.10 0.00 0.00 34.13 30.84 1p51 s GLU 59 CO -0.08 -0.06 0.11 0.41 0.02 0.00 0.00 175.26 175.67 1p51 n GLY 60 N 2.86 3.44 2.84 -1.39 0.00 0.12 -4.84 105.19 108.22 1p51 n GLY 60 Ca 0.06 -2.06 -0.14 0.00 0.00 0.00 0.00 46.02 43.88 1p51 n GLY 60 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1p51 s ARG 61 N -3.17 0.01 -0.20 1.61 3.52 -1.26 -0.87 118.95 118.58 1p51 s ARG 61 Ca 0.16 0.18 -0.29 0.00 -0.13 0.00 0.00 55.73 55.65 1p51 s ARG 61 Cb 0.01 -0.16 -0.01 0.00 -1.56 0.00 0.00 34.95 33.23 1p51 s ARG 61 CO 0.11 -0.12 1.28 1.21 -0.81 0.00 0.00 175.30 176.97 1p51 s ASN 62 N 0.80 6.87 0.48 -2.12 3.84 -0.64 -4.93 114.94 119.24 1p51 s ASN 62 Ca -0.06 1.58 0.27 0.00 0.21 0.00 0.00 52.86 54.86 1p51 s ASN 62 Cb -0.09 -2.54 1.09 0.00 -0.55 0.00 0.00 41.25 39.16 1p51 s ASN 62 CO -0.03 -0.85 1.89 1.55 -2.79 0.00 0.00 177.10 176.88 1p51 h PRO 63 N 8.52 0.00 0.00 0.43 0.13 -1.94 0.24 132.00 139.38 1p51 h PRO 63 Ca -0.27 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.77 1p51 h PRO 63 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1p51 h PRO 63 CO 0.99 0.16 -0.67 0.87 -0.23 0.00 0.00 178.00 179.11 1p51 h LYS 64 N 0.00 0.00 0.00 0.86 1.79 -1.97 -3.38 116.57 113.87 1p51 h LYS 64 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1p51 h LYS 64 Cb 0.64 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 1p51 h LYS 64 CO 0.02 0.36 0.00 0.25 -1.08 0.00 0.00 179.45 179.00 1p51 n THR 65 N -3.10 0.00 -0.27 -0.16 -2.24 -1.18 -5.00 114.28 102.33 1p51 n THR 65 Ca -0.00 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1p51 n THR 65 Cb 0.72 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.98 1p51 n THR 65 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1p51 n ASN 66 N -0.64 0.00 -4.69 3.42 5.15 0.85 -4.95 115.26 114.39 1p51 n ASN 66 Ca 0.00 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.56 1p51 n ASN 66 Cb 0.01 -1.20 -0.03 0.00 -0.53 0.00 0.00 39.78 38.03 1p51 n ASN 66 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1p51 s GLU 67 N -0.25 4.28 0.22 1.20 2.12 -1.24 -4.68 118.70 120.35 1p51 s GLU 67 Ca 0.00 1.95 -0.30 0.00 0.36 0.00 0.00 54.97 56.98 1p51 s GLU 67 Cb 0.00 -3.59 -0.09 0.00 0.26 0.00 0.00 34.13 30.71 1p51 s GLU 67 CO 0.00 -0.58 1.31 0.21 -0.54 0.00 0.00 175.26 175.66 1p51 s LYS 68 N 2.46 4.39 0.28 4.30 2.47 -1.26 -1.62 119.74 130.76 1p51 s LYS 68 Ca 0.63 2.07 0.03 0.00 -1.56 0.00 0.00 55.97 57.15 1p51 s LYS 68 Cb -0.31 -3.18 -0.04 0.00 -1.46 0.00 0.00 37.83 32.84 1p51 s LYS 68 CO 0.26 -0.24 0.17 0.00 0.16 0.00 0.00 175.35 175.70 1p51 s MET 69 N -0.32 1.53 -0.26 4.03 0.23 -0.05 -4.93 119.30 119.52 1p51 s MET 69 Ca 0.56 -1.86 -0.04 0.00 -1.03 0.00 0.00 55.69 53.32 1p51 s MET 69 Cb -0.37 0.05 0.02 0.00 -1.53 0.00 0.00 34.83 32.99 1p51 s MET 69 CO 0.40 -0.46 -0.01 -2.00 -2.03 0.00 0.00 175.02 170.92 1p51 s GLU 70 N -3.84 2.98 -0.05 3.16 2.12 -1.26 0.13 118.70 121.94 1p51 s GLU 70 Ca 0.37 -0.90 -0.30 0.00 0.36 0.00 0.00 54.97 54.51 1p51 s GLU 70 Cb 0.05 -3.12 -0.05 0.00 0.26 0.00 0.00 34.13 31.27 1p51 s GLU 70 CO 0.18 -0.39 1.54 0.42 -0.54 0.00 0.00 175.26 176.46 1p51 s ILE 71 N 1.40 3.67 0.64 -3.70 1.01 0.10 -4.92 121.20 119.41 1p51 s ILE 71 Ca 0.02 0.90 -0.16 0.00 0.00 0.00 0.00 60.65 61.41 1p51 s ILE 71 Cb -0.17 -3.58 -0.01 0.00 0.01 0.00 0.00 42.46 38.71 1p51 s ILE 71 CO -0.02 -0.06 1.11 -2.16 0.00 0.00 0.00 174.94 173.81 1p51 s PRO 72 N 3.49 2.90 0.62 2.79 0.04 -1.26 -1.53 135.00 142.05 1p51 s PRO 72 Ca 0.68 1.40 -0.19 0.00 0.04 0.00 0.00 61.00 62.94 1p51 s PRO 72 Cb -0.32 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 1p51 s PRO 72 CO 0.27 -1.17 1.22 0.00 0.04 0.00 0.00 177.00 177.36 1p51 n ALA 73 N -2.25 0.97 -3.24 8.56 0.00 -1.26 -4.66 120.51 118.63 1p51 n ALA 73 Ca 0.10 0.02 -0.10 0.00 0.00 0.00 0.00 53.44 53.46 1p51 n ALA 73 Cb 0.52 -2.28 -0.04 0.00 0.00 0.00 0.00 19.45 17.66 1p51 n ALA 73 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1p51 s THR 74 N -1.40 0.00 -0.04 0.00 -1.32 -0.52 -4.93 115.64 107.43 1p51 s THR 74 Ca 0.79 -1.37 0.06 0.00 -1.21 0.00 0.00 61.69 59.97 1p51 s THR 74 Cb -0.40 -2.42 -0.01 0.00 -1.51 0.00 0.00 72.50 68.16 1p51 s THR 74 CO 0.43 0.00 -0.24 -0.60 -2.21 0.00 0.00 174.62 172.01 1p51 s ARG 75 N -3.46 2.24 0.06 7.08 3.52 -1.26 0.07 118.95 127.21 1p51 s ARG 75 Ca 0.23 -0.85 0.05 0.00 -0.13 0.00 0.00 55.73 55.03 1p51 s ARG 75 Cb -0.02 -1.98 -0.03 0.00 -1.56 0.00 0.00 34.95 31.36 1p51 s ARG 75 CO 0.12 0.41 -0.13 0.14 -0.81 0.00 0.00 175.30 175.03 1p51 s VAL 76 N -0.26 1.03 0.22 7.11 -7.23 -0.41 -4.95 120.40 115.91 1p51 s VAL 76 Ca 0.01 -1.22 -0.30 0.00 -1.81 0.00 0.00 61.98 58.65 1p51 s VAL 76 Cb -0.12 -0.99 -0.09 0.00 0.56 0.00 0.00 36.38 35.74 1p51 s VAL 76 CO 0.02 -0.21 1.31 -2.84 -0.31 0.00 0.00 175.10 173.07 1p51 s PRO 77 N -1.62 4.39 0.18 4.82 0.02 -1.26 -1.61 135.00 139.92 1p51 s PRO 77 Ca -0.03 2.07 0.05 0.00 0.02 0.00 0.00 61.00 63.12 1p51 s PRO 77 Cb -0.10 -3.17 -0.05 0.00 0.02 0.00 0.00 34.50 31.20 1p51 s PRO 77 CO 0.02 -0.23 -0.08 0.00 -0.33 0.00 0.00 177.00 176.37 1p51 s ALA 78 N -0.10 1.62 -0.04 -1.55 0.00 0.02 -4.93 121.76 116.78 1p51 s ALA 78 Ca 0.55 -1.58 -0.02 0.00 0.00 0.00 0.00 51.96 50.91 1p51 s ALA 78 Cb -0.37 0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.91 1p51 s ALA 78 CO 0.40 -0.11 0.09 0.12 0.00 0.00 0.00 175.76 176.26 1p51 s PHE 79 N -3.30 -0.08 -0.17 0.00 5.36 -1.26 -2.44 117.98 116.09 1p51 s PHE 79 Ca 0.20 0.27 -0.01 0.00 -0.96 0.00 0.00 56.93 56.43 1p51 s PHE 79 Cb 0.03 -0.06 -0.01 0.00 -0.34 0.00 0.00 43.02 42.64 1p51 s PHE 79 CO 0.03 -0.09 -0.11 -1.12 -1.46 0.00 0.00 175.22 172.48 1p51 s SER 80 N 0.57 4.01 0.01 6.13 0.01 0.07 -4.97 113.70 119.53 1p51 s SER 80 Ca -0.04 -0.39 -0.30 0.00 1.31 0.00 0.00 55.95 56.52 1p51 s SER 80 Cb -0.06 -1.64 -0.04 0.00 0.21 0.00 0.00 66.02 64.49 1p51 s SER 80 CO -0.02 0.07 1.07 0.00 0.41 0.00 0.00 173.24 174.77 1p51 s ALA 81 N 0.91 3.27 0.87 1.44 0.00 -1.26 -0.95 121.76 126.04 1p51 s ALA 81 Ca -0.02 0.64 -0.13 0.00 0.00 0.00 0.00 51.96 52.45 1p51 s ALA 81 Cb -0.15 -3.39 0.12 0.00 0.00 0.00 0.00 23.12 19.70 1p51 s ALA 81 CO -0.00 -0.35 1.17 0.20 0.00 0.00 0.00 175.76 176.78 1p51 s GLY 82 N 1.06 1.60 0.19 0.00 0.00 0.11 -4.82 107.32 105.45 1p51 s GLY 82 Ca 0.54 -0.64 -0.12 0.00 0.00 0.00 0.00 44.72 44.50 1p51 s GLY 82 CO 0.27 -0.09 1.79 1.70 0.00 0.00 0.00 173.10 176.77 1p51 h LYS 83 N -1.32 0.51 -0.29 2.90 3.64 -1.85 -1.63 116.57 118.53 1p51 h LYS 83 Ca -0.48 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 58.79 1p51 h LYS 83 Cb 1.32 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 1p51 h LYS 83 CO 0.62 0.34 -0.14 1.25 -2.27 0.00 0.00 179.45 179.24 1p51 h LEU 84 N 0.53 0.49 0.23 5.20 5.85 -1.85 -0.03 115.31 125.72 1p51 h LEU 84 Ca 0.24 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1p51 h LEU 84 Cb 0.15 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1p51 h LEU 84 CO -0.17 0.66 -0.11 0.15 -0.34 0.00 0.00 178.44 178.64 1p51 h PHE 85 N 0.46 -0.28 0.00 1.25 3.04 -0.95 -2.62 116.94 117.85 1p51 h PHE 85 Ca 0.08 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.01 1p51 h PHE 85 Cb 0.53 0.09 -0.00 0.00 2.56 0.00 0.00 35.95 39.13 1p51 h PHE 85 CO 0.02 0.04 -0.08 0.00 -2.02 0.00 0.00 178.31 176.26 1p51 h ARG 86 N -0.61 0.00 0.00 1.11 3.08 -1.07 -2.40 114.38 114.48 1p51 h ARG 86 Ca -0.03 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 1p51 h ARG 86 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1p51 h ARG 86 CO 0.05 0.08 -0.87 0.93 -1.07 0.00 0.00 179.97 179.09 1p51 h GLU 87 N 0.00 0.00 0.00 0.04 5.08 -1.01 -1.48 114.58 117.21 1p51 h GLU 87 Ca -0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1p51 h GLU 87 Cb 0.17 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1p51 h GLU 87 CO 0.01 0.16 -1.02 0.87 -1.00 0.00 0.00 179.01 178.03 1p51 h LYS 88 N 0.00 0.00 0.07 2.33 1.79 -1.14 -2.19 116.57 117.43 1p51 h LYS 88 Ca -0.05 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.18 1p51 h LYS 88 Cb 1.22 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1p51 h LYS 88 CO 0.02 0.83 -1.11 0.28 -1.08 0.00 0.00 179.45 178.40 1p51 h VAL 89 N 0.00 1.51 -2.18 0.50 2.07 -1.50 -3.42 116.25 113.23 1p51 h VAL 89 Ca -0.05 -2.93 -0.37 0.00 0.82 0.00 0.00 66.70 64.17 1p51 h VAL 89 Cb 1.73 2.78 -0.34 0.00 -1.52 0.00 0.00 31.29 33.94 1p51 h VAL 89 CO 0.11 0.86 -0.67 0.00 0.02 0.00 0.00 177.57 177.88 1p51 s ALA 90 N -2.85 -0.29 0.15 1.67 0.00 -0.56 -5.10 121.76 114.78 1p51 s ALA 90 Ca -0.04 -0.63 -0.31 0.00 0.00 0.00 0.00 51.96 50.99 1p51 s ALA 90 Cb 0.08 -1.82 -0.08 0.00 0.00 0.00 0.00 23.12 21.30 1p51 s ALA 90 CO 0.87 -1.84 1.34 -2.14 0.00 0.00 0.00 175.76 173.99 1p51 s PRO 91 N 2.04 4.36 0.00 0.00 0.02 -0.82 -4.17 135.00 136.42 1p51 s PRO 91 Ca 0.12 2.05 0.03 0.00 0.02 0.00 0.00 61.00 63.21 1p51 s PRO 91 Cb -0.15 -3.23 0.15 0.00 0.02 0.00 0.00 34.50 31.29 1p51 s PRO 91 CO -0.24 -0.35 0.64 -2.30 -0.33 0.00 0.00 177.00 174.42