#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 4.00 0.14 6.12 2.20 -1.26 -4.92 114.94 121.22 1p51 s ASN 2 Ca 0.00 -0.44 -0.18 0.00 -0.94 0.00 0.00 52.86 51.30 1p51 s ASN 2 Cb 0.00 0.22 -0.00 0.00 -2.00 0.00 0.00 41.25 39.47 1p51 s ASN 2 CO 0.00 -2.12 1.75 0.50 -2.94 0.00 0.00 177.10 174.29 1p51 h LYS 3 N -0.75 0.20 -0.70 3.55 3.64 -2.05 -1.63 116.57 118.82 1p51 h LYS 3 Ca -0.35 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.02 1p51 h LYS 3 Cb 1.25 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.99 1p51 h LYS 3 CO 0.36 0.13 0.46 0.78 -2.27 0.00 0.00 179.45 178.91 1p51 h GLY 4 N 0.21 0.99 1.76 5.01 0.00 -1.99 0.03 103.07 109.07 1p51 h GLY 4 Ca 0.12 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 46.98 1p51 h GLY 4 CO -0.13 0.35 -0.38 0.83 0.00 0.00 0.00 176.54 177.22 1p51 h GLU 5 N 0.94 0.27 -0.32 4.80 5.08 -1.91 -2.43 114.58 121.01 1p51 h GLU 5 Ca 0.26 -0.12 -0.12 0.00 -1.00 0.00 0.00 59.36 58.38 1p51 h GLU 5 Cb -0.10 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1p51 h GLU 5 CO -0.06 0.62 -0.27 1.25 -1.00 0.00 0.00 179.01 179.55 1p51 h LEU 6 N 0.23 0.79 -0.55 1.33 5.85 -0.82 -3.06 115.31 119.08 1p51 h LEU 6 Ca 0.02 -0.45 0.03 0.00 0.84 0.00 0.00 57.88 58.32 1p51 h LEU 6 Cb 0.78 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 1p51 h LEU 6 CO 0.06 1.08 0.32 0.58 -0.34 0.00 0.00 178.44 180.13 1p51 h VAL 7 N 0.51 1.03 -0.37 1.05 2.07 -0.85 -0.57 116.25 119.11 1p51 h VAL 7 Ca 0.06 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.43 1p51 h VAL 7 Cb 0.83 0.35 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 1p51 h VAL 7 CO 0.07 0.11 -0.01 0.44 0.02 0.00 0.00 177.57 178.20 1p51 h ASP 8 N 0.62 -0.18 -0.11 0.57 3.32 -1.45 0.23 116.42 119.42 1p51 h ASP 8 Ca 0.23 0.09 -0.12 0.00 0.02 0.00 0.00 57.03 57.25 1p51 h ASP 8 Cb 0.06 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1p51 h ASP 8 CO -0.12 -0.05 -0.31 0.00 -1.72 0.00 0.00 179.24 177.04 1p51 h ALA 9 N 1.33 0.93 -0.17 3.45 0.00 -1.38 -2.01 119.26 121.42 1p51 h ALA 9 Ca 0.18 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1p51 h ALA 9 Cb 0.26 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1p51 h ALA 9 CO -0.32 0.62 -0.13 0.28 0.00 0.00 0.00 179.25 179.70 1p51 h VAL 10 N 0.51 1.33 -0.19 0.00 2.07 -0.59 0.10 116.25 119.48 1p51 h VAL 10 Ca 0.06 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 1p51 h VAL 10 Cb 0.79 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 1p51 h VAL 10 CO 0.06 0.37 0.09 0.00 0.02 0.00 0.00 177.57 178.12 1p51 h ALA 11 N 0.64 1.81 0.04 1.67 0.00 -0.54 0.13 119.26 123.03 1p51 h ALA 11 Ca 0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1p51 h ALA 11 Cb 0.65 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1p51 h ALA 11 CO 0.03 0.16 -0.02 1.49 0.00 0.00 0.00 179.25 180.92 1p51 h GLU 12 N 0.26 -0.06 -0.42 0.00 4.57 -1.17 -1.62 114.58 116.14 1p51 h GLU 12 Ca 0.07 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.16 1p51 h GLU 12 Cb 0.03 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 1p51 h GLU 12 CO -0.01 0.47 -0.10 0.87 -1.18 0.00 0.00 179.01 179.06 1p51 h LYS 13 N -0.62 0.81 -0.01 1.92 1.57 -0.35 -3.02 116.57 116.88 1p51 h LYS 13 Ca -0.01 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1p51 h LYS 13 Cb 0.55 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1p51 h LYS 13 CO 0.01 0.93 -0.12 0.00 -0.57 0.00 0.00 179.45 179.70 1p51 n ALA 14 N -2.46 2.80 -3.55 3.86 0.00 0.42 -4.95 120.51 116.64 1p51 n ALA 14 Ca -0.01 -0.30 -0.19 0.00 0.00 0.00 0.00 53.44 52.94 1p51 n ALA 14 Cb 0.37 -1.29 0.07 0.00 0.00 0.00 0.00 19.45 18.59 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 -0.82 -1.79 -4.19 0.00 7.64 -1.09 -5.03 113.62 108.34 1p51 n SER 15 Ca 0.15 -0.70 -0.25 0.00 1.01 0.00 0.00 58.87 59.08 1p51 n SER 15 Cb 0.29 -4.68 -0.09 0.00 -1.01 0.00 0.00 64.21 58.73 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 -3.49 0.70 0.52 0.44 -7.23 -0.63 -5.05 120.40 105.66 1p51 s VAL 16 Ca 0.02 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.05 1p51 s VAL 16 Cb -0.01 -2.42 -0.07 0.00 0.56 0.00 0.00 36.38 34.44 1p51 s VAL 16 CO 0.76 0.00 0.96 0.28 -0.31 0.00 0.00 175.10 176.80 1p51 s THR 17 N -3.24 4.61 0.32 5.32 -1.32 -1.26 -4.51 115.64 115.56 1p51 s THR 17 Ca 0.26 1.04 0.02 0.00 -1.21 0.00 0.00 61.69 61.80 1p51 s THR 17 Cb 0.04 -3.76 0.15 0.00 -1.51 0.00 0.00 72.50 67.42 1p51 s THR 17 CO 0.14 -0.77 1.85 0.11 -2.21 0.00 0.00 174.62 173.75 1p51 h LYS 18 N 0.68 0.62 -0.36 7.08 1.57 -1.91 0.57 116.57 124.83 1p51 h LYS 18 Ca -0.46 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.12 1p51 h LYS 18 Cb 1.19 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 1p51 h LYS 18 CO 0.62 0.62 -0.04 -0.22 -0.57 0.00 0.00 179.45 179.86 1p51 h LYS 19 N 0.60 0.59 -0.00 3.15 3.64 -1.97 -1.52 116.57 121.05 1p51 h LYS 19 Ca 0.13 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1p51 h LYS 19 Cb 0.33 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1p51 h LYS 19 CO 0.01 0.64 -0.04 0.37 -2.27 0.00 0.00 179.45 178.16 1p51 h GLN 20 N 0.55 0.03 -0.98 1.90 4.15 -1.79 -2.61 115.11 116.36 1p51 h GLN 20 Ca 0.11 -0.03 0.11 0.00 0.77 0.00 0.00 58.65 59.61 1p51 h GLN 20 Cb 0.41 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 28.03 1p51 h GLN 20 CO 0.02 0.74 0.61 0.00 -1.93 0.00 0.00 178.83 178.27 1p51 h ALA 21 N 0.29 1.45 -0.05 3.38 0.00 -0.84 -0.93 119.26 122.56 1p51 h ALA 21 Ca -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1p51 h ALA 21 Cb 0.75 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1p51 h ALA 21 CO 0.01 0.25 -0.01 0.22 0.00 0.00 0.00 179.25 179.72 1p51 h ASP 22 N 1.01 0.09 -0.83 0.00 1.82 -1.38 -2.01 116.42 115.12 1p51 h ASP 22 Ca 0.47 -0.36 0.05 0.00 -0.39 0.00 0.00 57.03 56.80 1p51 h ASP 22 Cb 0.41 -0.03 -0.05 0.00 0.68 0.00 0.00 39.33 40.34 1p51 h ASP 22 CO -0.25 0.43 0.55 0.00 -1.61 0.00 0.00 179.24 178.36 1p51 h ALA 23 N 0.66 1.53 -0.04 -0.78 0.00 -0.98 0.28 119.26 119.94 1p51 h ALA 23 Ca 0.01 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1p51 h ALA 23 Cb 0.39 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1p51 h ALA 23 CO 0.00 0.37 -0.20 0.28 0.00 0.00 0.00 179.25 179.71 1p51 h VAL 24 N 0.99 1.47 -0.77 0.00 2.07 -1.24 -2.49 116.25 116.27 1p51 h VAL 24 Ca 0.34 -1.67 0.01 0.00 0.82 0.00 0.00 66.70 66.20 1p51 h VAL 24 Cb 0.11 2.45 -0.04 0.00 -1.52 0.00 0.00 31.29 32.28 1p51 h VAL 24 CO -0.11 0.46 0.51 0.25 0.02 0.00 0.00 177.57 178.70 1p51 h LEU 25 N -0.36 0.88 -0.11 2.57 5.85 -0.90 0.24 115.31 123.47 1p51 h LEU 25 Ca -0.01 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.72 1p51 h LEU 25 Cb 0.86 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 1p51 h LEU 25 CO 0.04 0.63 -0.08 0.74 -0.34 0.00 0.00 178.44 179.44 1p51 h THR 26 N 1.04 0.77 -0.60 1.05 2.02 -0.52 -0.73 112.91 115.93 1p51 h THR 26 Ca 0.29 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.49 1p51 h THR 26 Cb -0.11 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.04 1p51 h THR 26 CO -0.07 0.00 0.38 0.00 0.37 0.00 0.00 175.52 176.20 1p51 h ALA 27 N 1.02 0.77 -0.50 6.16 0.00 -0.93 -1.06 119.26 124.72 1p51 h ALA 27 Ca 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1p51 h ALA 27 Cb 0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1p51 h ALA 27 CO -0.16 0.14 0.31 0.00 0.00 0.00 0.00 179.25 179.53 1p51 h ALA 28 N 1.25 0.64 -0.20 0.00 0.00 -0.27 -1.20 119.26 119.49 1p51 h ALA 28 Ca 0.23 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 1p51 h ALA 28 Cb -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1p51 h ALA 28 CO -0.08 0.12 -0.63 -0.07 0.00 0.00 0.00 179.25 178.59 1p51 h LEU 29 N 0.68 0.79 -0.63 0.00 3.38 -0.98 -2.55 115.31 116.00 1p51 h LEU 29 Ca 0.18 -0.46 -0.12 0.00 0.09 0.00 0.00 57.88 57.58 1p51 h LEU 29 Cb -0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1p51 h LEU 29 CO -0.04 1.23 -0.17 -0.33 0.09 0.00 0.00 178.44 179.22 1p51 h GLU 30 N 0.51 0.89 -0.45 1.13 5.08 -1.10 -2.63 114.58 118.01 1p51 h GLU 30 Ca -0.01 -0.35 -0.13 0.00 -1.00 0.00 0.00 59.36 57.88 1p51 h GLU 30 Cb 1.22 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1p51 h GLU 30 CO 0.13 0.99 -0.22 1.15 -1.00 0.00 0.00 179.01 180.06 1p51 h THR 31 N 0.78 1.27 -0.86 1.13 2.02 -1.21 -0.75 112.91 115.29 1p51 h THR 31 Ca 0.11 -1.38 -0.02 0.00 0.77 0.00 0.00 66.41 65.90 1p51 h THR 31 Cb 0.71 1.16 -0.04 0.00 -1.74 0.00 0.00 68.15 68.24 1p51 h THR 31 CO 0.05 0.47 0.46 0.40 0.37 0.00 0.00 175.52 177.27 1p51 h ILE 32 N 0.80 1.26 -0.18 3.11 2.04 -1.42 -0.30 117.51 122.82 1p51 h ILE 32 Ca 0.10 -0.65 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 1p51 h ILE 32 Cb 0.78 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1p51 h ILE 32 CO 0.06 0.29 0.02 0.40 0.00 0.00 0.00 178.15 178.92 1p51 h ILE 33 N 1.21 1.24 -0.14 -0.67 2.04 -1.21 -2.20 117.51 117.78 1p51 h ILE 33 Ca 0.30 -0.78 0.02 0.00 1.00 0.00 0.00 64.86 65.41 1p51 h ILE 33 Cb 0.05 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1p51 h ILE 33 CO -0.05 0.23 0.00 -0.33 0.00 0.00 0.00 178.15 178.01 1p51 h GLU 34 N 0.07 0.05 0.03 2.37 4.39 -0.95 -1.53 114.58 119.00 1p51 h GLU 34 Ca 0.05 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 1p51 h GLU 34 Cb 0.34 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1p51 h GLU 34 CO 0.01 0.03 -0.01 0.00 -1.16 0.00 0.00 179.01 177.88 1p51 h ALA 35 N 1.11 -0.04 -0.56 3.43 0.00 -1.05 -1.25 119.26 120.90 1p51 h ALA 35 Ca 0.06 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1p51 h ALA 35 Cb 0.07 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1p51 h ALA 35 CO -0.10 -0.49 0.29 0.28 0.00 0.00 0.00 179.25 179.23 1p51 h VAL 36 N -0.10 0.97 -0.56 0.00 2.07 -1.33 -0.53 116.25 116.78 1p51 h VAL 36 Ca -0.00 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1p51 h VAL 36 Cb 0.09 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 1p51 h VAL 36 CO 0.01 0.10 0.31 0.28 0.02 0.00 0.00 177.57 178.29 1p51 h SER 37 N 0.57 0.67 0.00 0.57 0.02 -0.97 -0.76 113.55 113.64 1p51 h SER 37 Ca 0.24 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1p51 h SER 37 Cb 0.13 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1p51 h SER 37 CO -0.16 0.53 0.00 -1.54 -1.14 0.00 0.00 176.83 174.53 1p51 n SER 38 N -4.41 0.00 0.00 3.07 3.41 -0.50 -4.86 113.62 110.34 1p51 n SER 38 Ca 0.05 -1.77 0.00 0.00 -0.26 0.00 0.00 58.87 56.90 1p51 n SER 38 Cb 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 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 0.59 0.41 3.58 5.00 0.00 -0.29 -5.05 105.19 109.42 1p51 n GLY 39 Ca 0.05 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.97 5.14 -0.05 1.61 3.68 -0.24 -5.00 116.67 118.84 1p51 s ASP 40 Ca 0.00 -0.01 -0.29 0.00 2.13 0.00 0.00 52.55 54.38 1p51 s ASP 40 Cb 0.00 -1.78 -0.02 0.00 -1.45 0.00 0.00 42.92 39.67 1p51 s ASP 40 CO 0.00 0.21 0.95 -0.75 0.13 0.00 0.00 175.17 175.71 1p51 s LYS 41 N 0.12 4.49 -0.37 4.34 2.20 -1.26 -3.10 119.74 126.16 1p51 s LYS 41 Ca 0.01 1.34 -0.14 0.00 -0.36 0.00 0.00 55.97 56.82 1p51 s LYS 41 Cb -0.13 -3.49 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 1p51 s LYS 41 CO 0.02 -0.13 0.28 0.08 -0.36 0.00 0.00 175.35 175.24 1p51 s VAL 42 N 1.36 5.26 -0.18 4.02 1.01 0.13 -4.94 120.40 127.04 1p51 s VAL 42 Ca 0.49 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 62.03 1p51 s VAL 42 Cb -0.20 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 1p51 s VAL 42 CO 0.23 -0.16 0.01 -0.89 0.00 0.00 0.00 175.10 174.29 1p51 s THR 43 N 1.75 4.16 -0.27 3.92 2.01 -1.26 0.26 115.64 126.22 1p51 s THR 43 Ca 0.06 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 61.81 1p51 s THR 43 Cb -0.18 -2.87 0.08 0.00 0.01 0.00 0.00 72.50 69.54 1p51 s THR 43 CO 0.11 0.45 0.02 -0.76 -0.69 0.00 0.00 174.62 173.75 1p51 s LEU 44 N 0.67 2.51 0.39 4.42 1.43 0.78 -4.99 118.68 123.88 1p51 s LEU 44 Ca 0.00 -1.39 -0.25 0.00 -1.03 0.00 0.00 54.13 51.46 1p51 s LEU 44 Cb -0.14 -1.03 -0.12 0.00 0.03 0.00 0.00 46.19 44.93 1p51 s LEU 44 CO 0.02 -0.32 0.96 1.33 0.23 0.00 0.00 176.35 178.57 1p51 n VAL 45 N 4.74 2.25 0.00 -1.59 0.24 -1.26 -0.29 118.33 122.42 1p51 n VAL 45 Ca -0.06 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.74 1p51 n VAL 45 Cb 0.44 -1.05 0.00 0.00 -1.47 0.00 0.00 33.84 31.75 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 1.26 1.57 0.00 7.63 0.00 -1.26 -4.62 105.19 109.76 1p51 n GLY 46 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.81 1.61 7.35 -0.94 -2.12 117.46 119.55 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 -0.38 0.00 0.00 0.35 0.00 0.00 39.48 39.45 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 1.46 -1.30 3.21 7.13 0.00 0.61 0.11 105.19 116.41 1p51 n GLY 48 Ca 0.00 -1.14 -0.22 0.00 0.00 0.00 0.00 46.02 44.66 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 2.06 -0.03 1.61 1.04 0.18 -0.16 113.70 114.41 1p51 s SER 49 Ca 0.00 -0.57 0.07 0.00 0.48 0.00 0.00 55.95 55.93 1p51 s SER 49 Cb 0.00 -0.12 -0.02 0.00 0.10 0.00 0.00 66.02 65.98 1p51 s SER 49 CO 0.00 0.04 -0.24 -0.36 0.98 0.00 0.00 173.24 173.66 1p51 s PHE 50 N -1.02 2.41 0.22 5.02 0.40 0.14 -0.58 117.98 124.58 1p51 s PHE 50 Ca 0.03 -0.44 -0.15 0.00 -0.60 0.00 0.00 56.93 55.77 1p51 s PHE 50 Cb -0.09 -1.54 0.01 0.00 0.51 0.00 0.00 43.02 41.91 1p51 s PHE 50 CO 0.02 -0.03 0.51 -1.83 0.70 0.00 0.00 175.22 174.59 1p51 s GLU 51 N -0.55 1.48 -0.21 0.44 -1.05 -1.12 0.19 118.70 117.88 1p51 s GLU 51 Ca 0.08 -1.07 -0.17 0.00 -0.15 0.00 0.00 54.97 53.66 1p51 s GLU 51 Cb -0.11 0.50 -0.03 0.00 -0.44 0.00 0.00 34.13 34.05 1p51 s GLU 51 CO 0.00 -0.63 0.46 -1.54 0.95 0.00 0.00 175.26 174.51 1p51 s SER 52 N -2.95 6.48 -0.28 0.83 1.04 -1.26 -0.13 113.70 117.43 1p51 s SER 52 Ca 0.16 0.57 -0.11 0.00 0.48 0.00 0.00 55.95 57.05 1p51 s SER 52 Cb -0.01 -2.26 -0.05 0.00 0.10 0.00 0.00 66.02 63.80 1p51 s SER 52 CO 0.04 -0.15 0.18 -0.13 0.98 0.00 0.00 173.24 174.15 1p51 s ARG 53 N 1.62 3.91 0.59 4.02 0.52 0.52 -4.94 118.95 125.20 1p51 s ARG 53 Ca 0.21 -0.34 -0.17 0.00 -0.52 0.00 0.00 55.73 54.91 1p51 s ARG 53 Cb -0.15 -3.64 -0.03 0.00 0.52 0.00 0.00 34.95 31.65 1p51 s ARG 53 CO 0.09 -0.19 1.11 -1.21 0.02 0.00 0.00 175.30 175.12 1p51 s GLU 54 N 1.75 3.14 -0.21 3.54 0.41 -1.26 -2.08 118.70 123.99 1p51 s GLU 54 Ca 0.07 1.47 -0.04 0.00 -0.41 0.00 0.00 54.97 56.06 1p51 s GLU 54 Cb -0.16 -1.99 0.11 0.00 -1.78 0.00 0.00 34.13 30.31 1p51 s GLU 54 CO 0.10 -0.99 0.36 0.50 -0.49 0.00 0.00 175.26 174.74 1p51 s ARG 55 N -3.69 0.30 0.69 1.61 3.52 -0.90 -4.94 118.95 115.55 1p51 s ARG 55 Ca 0.69 0.68 -0.11 0.00 -0.13 0.00 0.00 55.73 56.86 1p51 s ARG 55 Cb -0.21 -0.25 0.01 0.00 -1.56 0.00 0.00 34.95 32.94 1p51 s ARG 55 CO 0.34 -0.48 1.06 -1.59 -0.81 0.00 0.00 175.30 173.82 1p51 s LYS 56 N 2.53 2.96 0.45 5.12 -2.85 -1.26 -1.64 119.74 125.04 1p51 s LYS 56 Ca 0.07 0.75 -0.23 0.00 -1.00 0.00 0.00 55.97 55.55 1p51 s LYS 56 Cb -0.14 -2.01 -0.10 0.00 -2.06 0.00 0.00 37.83 33.53 1p51 s LYS 56 CO -0.14 -1.03 0.99 0.00 0.10 0.00 0.00 175.35 175.27 1p51 n ALA 57 N -3.05 0.15 -2.54 0.59 0.00 -1.26 -4.61 120.51 109.77 1p51 n ALA 57 Ca 0.07 0.19 -0.09 0.00 0.00 0.00 0.00 53.44 53.61 1p51 n ALA 57 Cb 0.55 -2.08 -0.11 0.00 0.00 0.00 0.00 19.45 17.82 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 -2.12 0.50 0.28 0.00 1.70 -0.78 -4.92 118.95 113.60 1p51 s ARG 58 Ca 0.65 -0.93 -0.29 0.00 -0.47 0.00 0.00 55.73 54.69 1p51 s ARG 58 Cb -0.53 0.08 -0.09 0.00 -0.57 0.00 0.00 34.95 33.84 1p51 s ARG 58 CO 0.55 -0.06 0.96 -1.21 -1.08 0.00 0.00 175.30 174.46 1p51 s GLU 59 N -2.66 4.73 0.30 3.89 2.02 -1.26 -0.26 118.70 125.45 1p51 s GLU 59 Ca -0.04 1.47 0.07 0.00 0.02 0.00 0.00 54.97 56.49 1p51 s GLU 59 Cb -0.01 -3.10 -0.03 0.00 0.10 0.00 0.00 34.13 31.09 1p51 s GLU 59 CO -0.05 0.39 0.26 0.41 0.02 0.00 0.00 175.26 176.29 1p51 n GLY 60 N 1.13 3.01 2.84 -1.39 0.00 0.17 -4.82 105.19 106.13 1p51 n GLY 60 Ca -0.00 -1.86 -0.17 0.00 0.00 0.00 0.00 46.02 43.98 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 -3.20 0.35 -0.13 1.61 3.52 -1.26 -0.39 118.95 119.44 1p51 s ARG 61 Ca 0.36 0.03 -0.29 0.00 -0.13 0.00 0.00 55.73 55.70 1p51 s ARG 61 Cb 0.02 -0.49 -0.05 0.00 -1.56 0.00 0.00 34.95 32.88 1p51 s ARG 61 CO 0.25 -0.10 1.73 1.21 -0.81 0.00 0.00 175.30 177.58 1p51 s ASN 62 N 0.87 6.39 0.41 -2.12 3.84 -0.20 -4.91 114.94 119.22 1p51 s ASN 62 Ca -0.09 1.98 0.17 0.00 0.21 0.00 0.00 52.86 55.14 1p51 s ASN 62 Cb -0.12 -2.53 0.89 0.00 -0.55 0.00 0.00 41.25 38.94 1p51 s ASN 62 CO -0.01 -1.20 1.87 1.55 -2.79 0.00 0.00 177.10 176.52 1p51 h PRO 63 N 10.77 0.00 0.11 0.43 0.13 -1.95 0.54 132.00 142.02 1p51 h PRO 63 Ca -0.38 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.44 1p51 h PRO 63 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1p51 h PRO 63 CO 0.97 0.31 -1.54 0.87 -0.23 0.00 0.00 178.00 178.38 1p51 h LYS 64 N 0.00 0.23 -0.00 0.86 1.79 -1.97 -3.38 116.57 114.09 1p51 h LYS 64 Ca -0.00 -0.39 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 1p51 h LYS 64 Cb 0.62 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.42 1p51 h LYS 64 CO 0.04 1.08 -0.37 0.25 -1.08 0.00 0.00 179.45 179.37 1p51 n THR 65 N -3.43 0.00 -0.44 -0.16 -2.24 -1.21 -4.98 114.28 101.82 1p51 n THR 65 Ca -0.17 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1p51 n THR 65 Cb 1.04 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 70.35 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 -0.67 0.00 -4.71 3.42 5.15 0.18 -4.95 115.26 113.67 1p51 n ASN 66 Ca 0.04 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.60 1p51 n ASN 66 Cb 0.22 -1.56 -0.03 0.00 -0.53 0.00 0.00 39.78 37.88 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 -0.49 4.39 0.32 1.20 2.12 -1.25 -4.70 118.70 120.29 1p51 s GLU 67 Ca 0.00 1.85 -0.28 0.00 0.36 0.00 0.00 54.97 56.89 1p51 s GLU 67 Cb 0.00 -3.36 -0.10 0.00 0.26 0.00 0.00 34.13 30.93 1p51 s GLU 67 CO 0.00 -0.34 1.22 0.21 -0.54 0.00 0.00 175.26 175.80 1p51 s LYS 68 N 1.30 4.40 0.16 4.30 2.47 -1.26 -1.03 119.74 130.07 1p51 s LYS 68 Ca 0.60 2.02 -0.01 0.00 -1.56 0.00 0.00 55.97 57.02 1p51 s LYS 68 Cb -0.31 -3.05 -0.04 0.00 -1.46 0.00 0.00 37.83 32.97 1p51 s LYS 68 CO 0.29 -0.07 0.09 0.00 0.16 0.00 0.00 175.35 175.81 1p51 s MET 69 N -1.75 1.03 -0.26 4.03 0.23 0.47 -4.90 119.30 118.15 1p51 s MET 69 Ca 0.49 -1.50 -0.10 0.00 -1.03 0.00 0.00 55.69 53.55 1p51 s MET 69 Cb -0.36 0.25 -0.04 0.00 -1.53 0.00 0.00 34.83 33.15 1p51 s MET 69 CO 0.47 -0.31 0.14 -2.00 -2.03 0.00 0.00 175.02 171.29 1p51 s GLU 70 N -4.09 3.89 -0.32 3.16 2.12 -1.26 0.42 118.70 122.63 1p51 s GLU 70 Ca 0.29 -0.36 -0.29 0.00 0.36 0.00 0.00 54.97 54.98 1p51 s GLU 70 Cb 0.07 -3.51 0.01 0.00 0.26 0.00 0.00 34.13 30.97 1p51 s GLU 70 CO 0.05 -0.10 1.12 0.42 -0.54 0.00 0.00 175.26 176.21 1p51 s ILE 71 N 1.48 4.43 0.52 -3.70 1.01 0.64 -4.92 121.20 120.66 1p51 s ILE 71 Ca 0.07 1.64 -0.21 0.00 0.00 0.00 0.00 60.65 62.15 1p51 s ILE 71 Cb -0.15 -4.38 -0.06 0.00 0.01 0.00 0.00 42.46 37.89 1p51 s ILE 71 CO 0.07 -0.50 1.22 -2.16 0.00 0.00 0.00 174.94 173.58 1p51 s PRO 72 N 3.76 3.38 0.43 2.79 0.04 -1.26 -1.87 135.00 142.27 1p51 s PRO 72 Ca 0.47 1.90 -0.24 0.00 0.04 0.00 0.00 61.00 63.17 1p51 s PRO 72 Cb -0.13 -2.23 -0.10 0.00 0.04 0.00 0.00 34.50 32.08 1p51 s PRO 72 CO 0.17 -0.90 1.01 0.00 0.04 0.00 0.00 177.00 177.33 1p51 n ALA 73 N -0.94 0.21 -3.39 8.56 0.00 -1.26 -4.73 120.51 118.95 1p51 n ALA 73 Ca 0.10 0.22 -0.08 0.00 0.00 0.00 0.00 53.44 53.67 1p51 n ALA 73 Cb 0.48 -2.09 -0.04 0.00 0.00 0.00 0.00 19.45 17.80 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 -1.29 0.00 -0.11 0.00 -1.32 -0.65 -4.92 115.64 107.35 1p51 s THR 74 Ca 0.64 -1.23 -0.00 0.00 -1.21 0.00 0.00 61.69 59.89 1p51 s THR 74 Cb -0.55 -2.08 -0.02 0.00 -1.51 0.00 0.00 72.50 68.34 1p51 s THR 74 CO 0.56 -0.02 -0.09 -0.13 -2.21 0.00 0.00 174.62 172.74 1p51 s ARG 75 N -3.97 3.22 0.09 7.08 3.00 -1.26 -2.12 118.95 124.99 1p51 s ARG 75 Ca 0.18 -0.61 0.09 0.00 0.00 0.00 0.00 55.73 55.39 1p51 s ARG 75 Cb -0.02 -2.67 -0.03 0.00 0.00 0.00 0.00 34.95 32.23 1p51 s ARG 75 CO 0.07 0.37 -0.25 0.14 0.00 0.00 0.00 175.30 175.64 1p51 s VAL 76 N -0.04 2.03 0.47 3.52 -7.23 -0.88 -4.98 120.40 113.29 1p51 s VAL 76 Ca -0.01 -1.56 -0.23 0.00 -1.81 0.00 0.00 61.98 58.37 1p51 s VAL 76 Cb -0.14 -1.79 -0.07 0.00 0.56 0.00 0.00 36.38 34.94 1p51 s VAL 76 CO 0.03 0.13 1.20 -2.84 -0.31 0.00 0.00 175.10 173.31 1p51 s PRO 77 N -1.73 3.69 0.16 4.82 0.02 -1.26 -0.35 135.00 140.35 1p51 s PRO 77 Ca 0.11 1.86 0.03 0.00 0.02 0.00 0.00 61.00 63.02 1p51 s PRO 77 Cb -0.10 -2.41 -0.05 0.00 0.02 0.00 0.00 34.50 31.96 1p51 s PRO 77 CO 0.04 -0.63 -0.03 0.00 -0.33 0.00 0.00 177.00 176.05 1p51 s ALA 78 N -1.49 1.37 -0.04 -1.55 0.00 0.81 -4.79 121.76 116.07 1p51 s ALA 78 Ca 0.64 -1.55 -0.03 0.00 0.00 0.00 0.00 51.96 51.03 1p51 s ALA 78 Cb -0.31 0.36 0.02 0.00 0.00 0.00 0.00 23.12 23.20 1p51 s ALA 78 CO 0.37 -0.25 0.10 0.12 0.00 0.00 0.00 175.76 176.10 1p51 s PHE 79 N -3.55 -0.10 -0.14 0.00 5.36 -1.26 -2.78 117.98 115.51 1p51 s PHE 79 Ca 0.21 0.30 0.02 0.00 -0.96 0.00 0.00 56.93 56.50 1p51 s PHE 79 Cb 0.05 -0.05 0.01 0.00 -0.34 0.00 0.00 43.02 42.69 1p51 s PHE 79 CO 0.02 -0.09 -0.21 -1.12 -1.46 0.00 0.00 175.22 172.36 1p51 s SER 80 N 0.57 3.23 0.10 6.13 0.01 0.25 -4.98 113.70 119.01 1p51 s SER 80 Ca -0.04 -0.57 -0.30 0.00 1.31 0.00 0.00 55.95 56.35 1p51 s SER 80 Cb -0.06 -1.47 -0.06 0.00 0.21 0.00 0.00 66.02 64.65 1p51 s SER 80 CO -0.02 0.09 1.04 0.00 0.41 0.00 0.00 173.24 174.76 1p51 s ALA 81 N 0.76 3.29 1.01 1.44 0.00 -1.26 -0.64 121.76 126.35 1p51 s ALA 81 Ca -0.08 0.68 -0.15 0.00 0.00 0.00 0.00 51.96 52.41 1p51 s ALA 81 Cb -0.16 -3.34 0.20 0.00 0.00 0.00 0.00 23.12 19.83 1p51 s ALA 81 CO -0.00 -0.18 1.18 0.20 0.00 0.00 0.00 175.76 176.96 1p51 s GLY 82 N 0.31 1.63 0.08 0.00 0.00 0.12 -4.84 107.32 104.62 1p51 s GLY 82 Ca 0.50 -0.83 -0.24 0.00 0.00 0.00 0.00 44.72 44.15 1p51 s GLY 82 CO 0.31 -0.12 1.68 1.70 0.00 0.00 0.00 173.10 176.67 1p51 h LYS 83 N -1.86 -0.07 -0.55 2.90 3.64 -1.86 -2.05 116.57 116.72 1p51 h LYS 83 Ca -0.47 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.89 1p51 h LYS 83 Cb 1.29 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.10 1p51 h LYS 83 CO 0.47 0.00 0.24 1.25 -2.27 0.00 0.00 179.45 179.14 1p51 h LEU 84 N -0.12 0.72 0.08 5.20 5.85 -1.91 -0.72 115.31 124.41 1p51 h LEU 84 Ca -0.01 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1p51 h LEU 84 Cb 0.10 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.95 1p51 h LEU 84 CO 0.01 0.64 -0.04 0.15 -0.34 0.00 0.00 178.44 178.86 1p51 h PHE 85 N 0.79 -0.10 0.00 1.25 3.04 -1.28 -1.62 116.94 119.01 1p51 h PHE 85 Ca 0.19 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.09 1p51 h PHE 85 Cb 0.13 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.67 1p51 h PHE 85 CO 0.01 0.14 -0.21 0.00 -2.02 0.00 0.00 178.31 176.23 1p51 h ARG 86 N -0.35 0.00 0.00 1.11 3.08 -1.16 -2.32 114.38 114.75 1p51 h ARG 86 Ca -0.01 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.90 1p51 h ARG 86 Cb 0.29 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1p51 h ARG 86 CO 0.02 0.21 -0.84 0.93 -1.07 0.00 0.00 179.97 179.22 1p51 h GLU 87 N 0.00 0.00 0.01 0.04 5.08 -1.06 0.08 114.58 118.73 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 0.39 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1p51 h GLU 87 CO 0.03 0.48 -0.93 0.87 -1.00 0.00 0.00 179.01 178.46 1p51 h LYS 88 N 0.00 0.03 0.04 2.33 1.79 -1.10 -1.97 116.57 117.68 1p51 h LYS 88 Ca -0.06 -0.04 -0.24 0.00 -2.18 0.00 0.00 60.65 58.14 1p51 h LYS 88 Cb 1.49 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 32.13 1p51 h LYS 88 CO 0.07 0.94 -1.13 0.28 -1.08 0.00 0.00 179.45 178.52 1p51 h VAL 89 N 0.01 1.59 -1.98 0.50 2.07 -1.44 -3.42 116.25 113.58 1p51 h VAL 89 Ca -0.02 -3.26 -0.38 0.00 0.82 0.00 0.00 66.70 63.85 1p51 h VAL 89 Cb 1.64 2.85 -0.31 0.00 -1.52 0.00 0.00 31.29 33.94 1p51 h VAL 89 CO 0.12 0.92 -0.70 0.00 0.02 0.00 0.00 177.57 177.94 1p51 s ALA 90 N -2.68 -0.32 0.25 1.67 0.00 0.01 -5.09 121.76 115.59 1p51 s ALA 90 Ca -0.01 -1.09 -0.30 0.00 0.00 0.00 0.00 51.96 50.56 1p51 s ALA 90 Cb 0.09 -2.03 -0.10 0.00 0.00 0.00 0.00 23.12 21.08 1p51 s ALA 90 CO 0.84 -2.15 1.46 -2.14 0.00 0.00 0.00 175.76 173.77 1p51 s PRO 91 N 1.34 4.25 0.00 0.00 0.02 -0.74 -4.25 135.00 135.62 1p51 s PRO 91 Ca 0.18 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.53 1p51 s PRO 91 Cb -0.15 -3.10 0.01 0.00 0.02 0.00 0.00 34.50 31.27 1p51 s PRO 91 CO -0.02 -0.45 0.51 -2.30 -0.33 0.00 0.00 177.00 174.41