#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pwj n SER 2 N 0.00 3.85 -3.15 7.83 3.41 -1.26 -4.89 113.62 119.41 1pwj n SER 2 Ca 0.00 0.71 0.06 0.00 -0.26 0.00 0.00 58.87 59.38 1pwj n SER 2 Cb 0.00 -1.52 -0.00 0.00 -0.26 0.00 0.00 64.21 62.43 1pwj n SER 2 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1pwj s ASP 3 N 5.52 -0.19 0.46 4.04 2.15 -1.26 -5.18 116.67 122.22 1pwj s ASP 3 Ca 0.93 0.02 0.06 0.00 0.43 0.00 0.00 52.55 54.00 1pwj s ASP 3 Cb -0.43 1.12 0.06 0.00 -0.30 0.00 0.00 42.92 43.37 1pwj s ASP 3 CO 0.41 -0.03 0.53 0.54 -0.17 0.00 0.00 175.17 176.45 1pwj n ARG 4 N 5.06 0.74 -2.63 4.34 3.00 -1.26 -5.07 116.66 120.83 1pwj n ARG 4 Ca 0.10 -2.66 -0.14 0.00 -0.01 0.00 0.00 57.85 55.14 1pwj n ARG 4 Cb 0.58 -0.00 0.02 0.00 0.00 0.00 0.00 32.46 33.06 1pwj n ARG 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1pwj n LYS 5 N -1.85 1.78 -3.18 5.56 4.76 -1.26 -3.40 118.16 120.57 1pwj n LYS 5 Ca 0.07 -3.61 0.04 0.00 -2.87 0.00 0.00 58.31 51.95 1pwj n LYS 5 Cb 0.50 -1.54 -0.03 0.00 -1.84 0.00 0.00 35.03 32.12 1pwj n LYS 5 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pwj s ALA 6 N -3.22 -3.49 -0.33 7.82 0.00 -1.26 -4.69 121.76 116.60 1pwj s ALA 6 Ca 0.33 1.59 0.05 0.00 0.00 0.00 0.00 51.96 53.92 1pwj s ALA 6 Cb 0.44 -2.42 0.17 0.00 0.00 0.00 0.00 23.12 21.31 1pwj s ALA 6 CO -0.03 -1.21 0.50 0.08 0.00 0.00 0.00 175.76 175.10 1pwj s VAL 7 N 2.49 -0.76 -0.41 0.00 1.01 0.59 -4.99 120.40 118.33 1pwj s VAL 7 Ca -0.04 -0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.40 1pwj s VAL 7 Cb -0.05 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.63 1pwj s VAL 7 CO -0.12 -0.19 1.16 -0.63 0.00 0.00 0.00 175.10 175.31 1pwj s ILE 8 N 2.30 4.26 0.08 2.22 1.01 -1.26 0.13 121.20 129.95 1pwj s ILE 8 Ca 0.12 1.36 0.02 0.00 0.00 0.00 0.00 60.65 62.15 1pwj s ILE 8 Cb -0.10 -4.48 -0.24 0.00 0.01 0.00 0.00 42.46 37.65 1pwj s ILE 8 CO -0.20 -0.78 1.15 0.50 0.00 0.00 0.00 174.94 175.61 1pwj h LYS 9 N 9.01 0.12 -0.84 2.79 3.64 -1.94 -3.46 116.57 125.89 1pwj h LYS 9 Ca -0.23 -0.21 0.17 0.00 -1.27 0.00 0.00 60.65 59.11 1pwj h LYS 9 Cb 1.07 0.08 -0.22 0.00 -0.41 0.00 0.00 32.23 32.74 1pwj h LYS 9 CO 1.09 1.06 0.07 1.21 -2.27 0.00 0.00 179.45 180.61 1pwj s ASN 10 N -6.86 -0.74 -0.24 4.20 3.84 -1.26 -5.10 114.94 108.79 1pwj s ASN 10 Ca -0.02 0.70 -0.04 0.00 0.21 0.00 0.00 52.86 53.71 1pwj s ASN 10 Cb 0.08 1.71 0.00 0.00 -0.55 0.00 0.00 41.25 42.50 1pwj s ASN 10 CO 0.85 -0.14 -0.03 0.00 -2.79 0.00 0.00 177.10 174.98 1pwj s ALA 11 N 2.73 2.81 -0.62 1.71 0.00 -1.26 -1.78 121.76 125.36 1pwj s ALA 11 Ca 0.02 -1.29 0.20 0.00 0.00 0.00 0.00 51.96 50.90 1pwj s ALA 11 Cb -0.10 -1.75 -0.26 0.00 0.00 0.00 0.00 23.12 21.01 1pwj s ALA 11 CO -0.16 -0.60 0.71 -3.47 0.00 0.00 0.00 175.76 172.24 1pwj n ASP 12 N 4.77 0.68 -4.70 0.00 -0.08 -1.22 -4.96 116.55 111.04 1pwj n ASP 12 Ca -0.17 -0.62 -0.29 0.00 -1.51 0.00 0.00 54.79 52.20 1pwj n ASP 12 Cb 0.49 1.35 0.14 0.00 2.34 0.00 0.00 41.12 45.45 1pwj n ASP 12 CO 0.00 0.00 0.00 -0.32 0.12 0.00 0.00 177.20 177.00 1pwj s MET 13 N -3.11 1.04 0.00 -0.67 1.75 -0.72 -4.83 119.30 112.75 1pwj s MET 13 Ca 0.02 0.22 0.00 0.00 -1.25 0.00 0.00 55.69 54.68 1pwj s MET 13 Cb 0.15 -1.83 0.00 0.00 2.84 0.00 0.00 34.83 35.98 1pwj s MET 13 CO 0.85 -2.25 1.20 0.45 -0.65 0.00 0.00 175.02 174.62 1pwj n SER 14 N -3.79 3.27 0.00 1.11 2.88 -1.26 -4.78 113.62 111.04 1pwj n SER 14 Ca 0.07 -1.82 0.00 0.00 -1.33 0.00 0.00 58.87 55.79 1pwj n SER 14 Cb 0.59 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 1pwj n SER 14 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1pwj n GLU 15 N 1.47 0.00 -0.33 -1.46 1.02 -1.26 -4.62 120.64 115.45 1pwj n GLU 15 Ca 0.00 0.00 0.22 0.00 -0.02 0.00 0.00 57.16 57.36 1pwj n GLU 15 Cb 0.33 -0.17 0.45 0.00 -0.02 0.00 0.00 31.44 32.03 1pwj n GLU 15 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1pwj h ASP 16 N 0.00 0.52 0.81 1.62 3.32 -2.00 1.02 116.42 121.71 1pwj h ASP 16 Ca 0.00 0.18 -0.08 0.00 0.02 0.00 0.00 57.03 57.15 1pwj h ASP 16 Cb 0.00 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1pwj h ASP 16 CO 0.00 -0.10 -0.38 0.24 -1.72 0.00 0.00 179.24 177.28 1pwj h MET 17 N 0.36 0.00 -0.52 3.56 2.86 -1.92 0.34 114.93 119.61 1pwj h MET 17 Ca 0.71 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 58.30 1pwj h MET 17 Cb 1.58 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.22 1pwj h MET 17 CO -0.59 0.38 0.11 1.96 1.06 0.00 0.00 176.91 179.84 1pwj h GLN 18 N 0.00 0.84 0.07 1.72 4.20 0.70 1.06 115.11 123.70 1pwj h GLN 18 Ca -0.00 -0.21 -0.29 0.00 0.06 0.00 0.00 58.65 58.21 1pwj h GLN 18 Cb 0.89 -0.11 0.03 0.00 0.30 0.00 0.00 27.48 28.59 1pwj h GLN 18 CO 0.05 0.81 -1.16 1.96 -0.67 0.00 0.00 178.83 179.82 1pwj h GLN 19 N 0.73 0.65 0.35 1.46 4.20 -1.13 -2.35 115.11 119.03 1pwj h GLN 19 Ca 0.16 -0.80 -0.02 0.00 0.06 0.00 0.00 58.65 58.05 1pwj h GLN 19 Cb 0.36 0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1pwj h GLN 19 CO 0.00 1.36 -0.17 -0.44 -0.67 0.00 0.00 178.83 178.92 1pwj h ASP 20 N 0.31 -0.40 -0.25 1.46 3.32 -0.19 -2.35 116.42 118.32 1pwj h ASP 20 Ca -0.17 -0.11 0.05 0.00 0.02 0.00 0.00 57.03 56.82 1pwj h ASP 20 Cb 1.83 0.10 -0.05 0.00 0.22 0.00 0.00 39.33 41.43 1pwj h ASP 20 CO 0.22 0.05 -0.05 0.00 -1.72 0.00 0.00 179.24 177.75 1pwj h ALA 21 N -0.79 0.18 -0.58 3.45 0.00 0.10 0.74 119.26 122.37 1pwj h ALA 21 Ca -0.05 0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1pwj h ALA 21 Cb 0.49 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1pwj h ALA 21 CO 0.08 -0.46 0.33 0.28 0.00 0.00 0.00 179.25 179.48 1pwj h VAL 22 N 0.02 1.00 -0.01 0.00 2.07 -1.50 0.58 116.25 118.41 1pwj h VAL 22 Ca 0.12 -0.22 -0.15 0.00 0.82 0.00 0.00 66.70 67.27 1pwj h VAL 22 Cb 0.18 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1pwj h VAL 22 CO -0.25 0.11 -0.71 0.44 0.02 0.00 0.00 177.57 177.19 1pwj h ASP 23 N 0.63 0.06 0.34 0.57 5.19 -0.90 0.21 116.42 122.52 1pwj h ASP 23 Ca 0.25 -0.04 -0.15 0.00 -0.62 0.00 0.00 57.03 56.47 1pwj h ASP 23 Cb 0.10 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.59 1pwj h ASP 23 CO -0.14 0.75 -0.61 0.00 -3.12 0.00 0.00 179.24 176.12 1pwj h ALA 25 N 1.17 0.68 0.15 0.00 0.00 0.35 -0.79 119.26 120.81 1pwj h ALA 25 Ca -0.01 -0.47 -0.22 0.00 0.00 0.00 0.00 54.91 54.21 1pwj h ALA 25 Cb 1.11 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.87 1pwj h ALA 25 CO 0.10 0.63 -1.02 1.15 0.00 0.00 0.00 179.25 180.11 1pwj h THR 26 N 0.00 1.39 0.00 0.00 2.02 -0.29 -1.98 112.91 114.04 1pwj h THR 26 Ca -0.02 -2.53 -0.10 0.00 0.77 0.00 0.00 66.41 64.53 1pwj h THR 26 Cb 1.39 3.09 -0.01 0.00 -1.74 0.00 0.00 68.15 70.87 1pwj h THR 26 CO 0.06 0.73 -0.47 -0.61 0.37 0.00 0.00 175.52 175.60 1pwj h GLN 27 N -0.30 0.00 0.16 6.66 4.15 -0.48 -1.57 115.11 123.73 1pwj h GLN 27 Ca -0.19 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 58.92 1pwj h GLN 27 Cb 1.73 0.00 0.03 0.00 0.21 0.00 0.00 27.48 29.45 1pwj h GLN 27 CO 0.15 0.47 -1.31 0.00 -1.93 0.00 0.00 178.83 176.20 1pwj h ALA 28 N 1.53 -0.03 0.00 3.38 0.00 -1.22 0.37 119.26 123.29 1pwj h ALA 28 Ca -0.00 -0.81 -0.12 0.00 0.00 0.00 0.00 54.91 53.98 1pwj h ALA 28 Cb 1.10 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1pwj h ALA 28 CO 0.06 0.72 -0.59 0.00 0.00 0.00 0.00 179.25 179.44 1pwj h MET 29 N 0.22 0.00 0.13 0.00 -0.00 -1.35 0.38 114.93 114.31 1pwj h MET 29 Ca -0.20 0.00 -0.34 0.00 -0.00 0.00 0.00 59.70 59.16 1pwj h MET 29 Cb 1.99 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.58 1pwj h MET 29 CO 0.25 0.59 -1.75 1.05 -0.00 0.00 0.00 176.91 177.04 1pwj h GLU 30 N 0.00 0.27 0.00 -0.10 -0.00 -1.36 -3.34 114.58 110.06 1pwj h GLU 30 Ca -0.01 -0.47 -0.17 0.00 -0.00 0.00 0.00 59.36 58.72 1pwj h GLU 30 Cb 1.31 0.17 -0.02 0.00 -0.00 0.00 0.00 28.75 30.21 1pwj h GLU 30 CO 0.08 1.14 -0.80 -0.22 -0.00 0.00 0.00 179.01 179.21 1pwj h LYS 31 N 0.07 0.00 -4.20 1.06 3.64 -0.96 -3.47 116.57 112.71 1pwj h LYS 31 Ca -0.33 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 58.79 1pwj h LYS 31 Cb 2.05 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 33.77 1pwj h LYS 31 CO 0.14 0.80 -0.27 0.71 -2.27 0.00 0.00 179.45 178.56 1pwj s TYR 32 N -2.88 1.05 0.00 1.91 2.02 0.13 -5.04 117.35 114.55 1pwj s TYR 32 Ca 0.02 -1.26 0.02 0.00 -0.37 0.00 0.00 57.07 55.47 1pwj s TYR 32 Cb 0.09 -0.17 0.03 0.00 -0.40 0.00 0.00 41.96 41.51 1pwj s TYR 32 CO 0.79 -1.03 0.90 0.27 -1.57 0.00 0.00 175.55 174.91 1pwj n ASN 33 N -1.14 -0.60 0.08 2.29 6.94 -1.26 -3.65 115.26 117.92 1pwj n ASN 33 Ca 0.01 -1.77 0.12 0.00 -0.02 0.00 0.00 54.58 52.92 1pwj n ASN 33 Cb 0.62 0.18 0.46 0.00 -2.36 0.00 0.00 39.78 38.68 1pwj n ASN 33 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1pwj n ILE 34 N 0.04 0.62 0.00 1.53 2.08 -1.26 -4.91 119.36 117.45 1pwj n ILE 34 Ca -0.18 0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.14 1pwj n ILE 34 Cb 0.69 -0.81 0.00 0.00 -0.75 0.00 0.00 39.64 38.77 1pwj n ILE 34 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1pwj n GLU 35 N -1.98 0.00 -0.04 0.38 1.02 -1.26 -4.35 120.64 114.40 1pwj n GLU 35 Ca 0.04 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.05 1pwj n GLU 35 Cb 0.31 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.62 1pwj n GLU 35 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1pwj h LYS 36 N 0.00 -0.01 -0.36 3.49 1.57 -1.95 -3.12 116.57 116.20 1pwj h LYS 36 Ca 0.00 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.88 1pwj h LYS 36 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1pwj h LYS 36 CO 0.00 0.73 0.27 0.22 -0.57 0.00 0.00 179.45 180.09 1pwj h ASP 37 N -0.75 0.00 0.55 0.86 3.58 -1.98 -1.95 116.42 116.73 1pwj h ASP 37 Ca -0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 1pwj h ASP 37 Cb 0.73 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.79 1pwj h ASP 37 CO 0.00 0.00 -0.26 0.40 -2.88 0.00 0.00 179.24 176.50 1pwj h ILE 38 N 0.00 0.43 -0.04 2.25 1.08 -1.88 -1.14 117.51 118.21 1pwj h ILE 38 Ca 0.17 -0.18 0.01 0.00 -0.39 0.00 0.00 64.86 64.48 1pwj h ILE 38 Cb 0.70 0.50 -0.00 0.00 -3.07 0.00 0.00 36.82 34.95 1pwj h ILE 38 CO -0.00 0.03 0.08 0.00 -0.69 0.00 0.00 178.15 177.57 1pwj h ALA 39 N -0.46 1.36 0.15 1.87 0.00 -1.31 -1.44 119.26 119.44 1pwj h ALA 39 Ca -0.08 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.56 1pwj h ALA 39 Cb 0.61 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.43 1pwj h ALA 39 CO 0.12 -0.10 -1.14 0.00 0.00 0.00 0.00 179.25 178.13 1pwj h ALA 40 N 1.88 -0.06 0.00 0.00 0.00 -0.99 -1.43 119.26 118.65 1pwj h ALA 40 Ca 0.02 -0.76 -0.06 0.00 0.00 0.00 0.00 54.91 54.11 1pwj h ALA 40 Cb 0.18 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1pwj h ALA 40 CO -0.00 0.58 -0.28 -0.92 0.00 0.00 0.00 179.25 178.63 1pwj h TYR 41 N 0.06 0.00 0.04 0.00 5.03 -0.21 0.69 116.97 122.58 1pwj h TYR 41 Ca -0.19 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.06 1pwj h TYR 41 Cb 1.86 0.00 0.01 0.00 1.55 0.00 0.00 36.73 40.15 1pwj h TYR 41 CO 0.14 0.28 -0.29 0.82 -1.32 0.00 0.00 178.16 177.79 1pwj h ILE 42 N 0.00 1.68 -0.11 1.81 2.04 -1.37 -2.15 117.51 119.41 1pwj h ILE 42 Ca -0.00 -2.40 -0.12 0.00 1.00 0.00 0.00 64.86 63.34 1pwj h ILE 42 Cb 0.65 3.30 -0.01 0.00 -0.74 0.00 0.00 36.82 40.03 1pwj h ILE 42 CO 0.04 0.64 -0.46 0.07 0.00 0.00 0.00 178.15 178.44 1pwj h LYS 43 N -0.80 0.25 -0.24 2.37 5.09 -1.17 -2.39 116.57 119.68 1pwj h LYS 43 Ca -0.06 -0.13 -0.07 0.00 0.09 0.00 0.00 60.65 60.48 1pwj h LYS 43 Cb 1.21 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.54 1pwj h LYS 43 CO 0.04 0.66 -0.11 -0.22 -2.09 0.00 0.00 179.45 177.74 1pwj h LYS 44 N 0.21 0.51 -0.59 0.07 3.64 0.31 0.21 116.57 120.92 1pwj h LYS 44 Ca 0.01 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.16 1pwj h LYS 44 Cb 0.89 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.66 1pwj h LYS 44 CO 0.07 0.76 0.32 1.49 -2.27 0.00 0.00 179.45 179.82 1pwj h GLU 45 N 0.23 0.83 0.00 1.90 4.57 -1.28 0.19 114.58 121.02 1pwj h GLU 45 Ca 0.06 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1pwj h GLU 45 Cb 0.61 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1pwj h GLU 45 CO 0.03 0.64 -0.10 0.74 -1.18 0.00 0.00 179.01 179.15 1pwj h PHE 46 N 0.80 0.00 0.12 0.92 0.04 -1.41 -3.14 116.94 114.27 1pwj h PHE 46 Ca 0.21 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.68 1pwj h PHE 46 Cb 0.06 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 1pwj h PHE 46 CO -0.01 0.00 -1.55 0.22 -0.60 0.00 0.00 178.31 176.37 1pwj h ASP 47 N 0.00 0.39 -0.34 2.17 1.82 -0.08 -2.59 116.42 117.80 1pwj h ASP 47 Ca 0.00 -0.86 -0.05 0.00 -0.39 0.00 0.00 57.03 55.73 1pwj h ASP 47 Cb 0.84 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.69 1pwj h ASP 47 CO 0.00 1.68 0.06 0.29 -1.61 0.00 0.00 179.24 179.66 1pwj n LYS 48 N -3.84 2.78 0.00 0.28 4.76 0.64 -2.49 118.16 120.29 1pwj n LYS 48 Ca -0.27 -1.62 0.00 0.00 -2.87 0.00 0.00 58.31 53.56 1pwj n LYS 48 Cb 0.93 -1.85 0.00 0.00 -1.84 0.00 0.00 35.03 32.28 1pwj n LYS 48 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1pwj n LYS 49 N 0.20 0.00 -0.18 1.97 4.76 -1.19 -4.87 118.16 118.85 1pwj n LYS 49 Ca 0.17 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.67 1pwj n LYS 49 Cb 0.81 -0.41 0.15 0.00 -1.84 0.00 0.00 35.03 33.74 1pwj n LYS 49 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1pwj n TYR 50 N -1.87 0.46 -1.50 2.13 4.01 -0.98 -5.08 117.16 114.34 1pwj n TYR 50 Ca 0.00 -0.52 0.00 0.00 -0.16 0.00 0.00 57.90 57.22 1pwj n TYR 50 Cb 0.05 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1pwj n TYR 50 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1pwj n ASN 51 N 0.39 -8.14 -3.94 7.72 2.85 -1.04 -4.91 115.26 108.19 1pwj n ASN 51 Ca 0.12 1.33 -0.26 0.00 -0.11 0.00 0.00 54.58 55.65 1pwj n ASN 51 Cb 0.44 -4.56 0.15 0.00 1.24 0.00 0.00 39.78 37.05 1pwj n ASN 51 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1pwj n PRO 52 N -1.33 -1.81 -3.96 1.20 -0.02 -1.25 -4.77 135.00 123.05 1pwj n PRO 52 Ca 0.00 -0.52 -0.30 0.00 -2.02 0.00 0.00 63.50 60.65 1pwj n PRO 52 Cb 0.12 -1.53 -0.16 0.00 -0.02 0.00 0.00 33.50 31.91 1pwj n PRO 52 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1pwj s THR 53 N -2.14 1.57 0.00 3.45 2.01 -1.26 -5.00 115.64 114.27 1pwj s THR 53 Ca 0.45 -1.11 0.00 0.00 0.31 0.00 0.00 61.69 61.35 1pwj s THR 53 Cb -0.07 -1.74 0.00 0.00 0.01 0.00 0.00 72.50 70.70 1pwj s THR 53 CO 0.51 0.03 0.00 0.79 -0.69 0.00 0.00 174.62 175.26 1pwj n TRP 54 N 4.68 -1.93 -2.79 4.92 7.02 -1.26 -1.94 117.44 126.13 1pwj n TRP 54 Ca -0.13 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.37 1pwj n TRP 54 Cb 0.45 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.35 1pwj n TRP 54 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 1pwj s HIS 55 N 1.07 -0.34 0.15 -5.99 2.46 0.33 -4.85 115.29 108.13 1pwj s HIS 55 Ca 0.00 0.06 -0.16 0.00 0.47 0.00 0.00 55.06 55.44 1pwj s HIS 55 Cb 0.00 0.06 -0.07 0.00 -0.13 0.00 0.00 32.58 32.44 1pwj s HIS 55 CO 0.00 -0.23 0.59 0.00 -2.47 0.00 0.00 174.74 172.63 1pwj s ILE 57 N -1.44 3.03 -0.36 0.00 -1.09 0.06 -4.92 121.20 116.48 1pwj s ILE 57 Ca 0.38 -1.49 -0.00 0.00 -2.23 0.00 0.00 60.65 57.31 1pwj s ILE 57 Cb -0.16 -2.42 0.13 0.00 -1.58 0.00 0.00 42.46 38.43 1pwj s ILE 57 CO 0.19 0.06 0.20 -0.69 -1.23 0.00 0.00 174.94 173.47 1pwj s VAL 58 N -1.28 0.41 0.00 2.92 1.01 -1.26 -2.08 120.40 120.12 1pwj s VAL 58 Ca 0.20 -1.75 0.00 0.00 0.00 0.00 0.00 61.98 60.43 1pwj s VAL 58 Cb -0.10 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.97 1pwj s VAL 58 CO 0.12 -0.92 0.00 0.61 0.00 0.00 0.00 175.10 174.91 1pwj n GLY 59 N 4.13 -2.34 0.83 4.51 0.00 0.16 -4.94 105.19 107.53 1pwj n GLY 59 Ca 0.08 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.90 1pwj n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pwj n ARG 60 N 0.00 0.00 -0.63 1.61 1.74 -1.25 -1.37 116.66 116.76 1pwj n ARG 60 Ca 0.00 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.06 1pwj n ARG 60 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.42 1pwj n ARG 60 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1pwj n ASN 61 N -1.62 -0.29 0.00 0.55 2.04 -1.26 -4.68 115.26 110.00 1pwj n ASN 61 Ca 0.00 -1.24 0.07 0.00 -0.44 0.00 0.00 54.58 52.97 1pwj n ASN 61 Cb 0.00 0.09 0.43 0.00 -2.53 0.00 0.00 39.78 37.76 1pwj n ASN 61 CO 0.00 0.00 0.00 2.22 -0.44 0.00 0.00 177.26 179.04 1pwj n PHE 62 N 0.00 0.00 0.37 -2.53 -1.74 -1.26 -3.80 117.46 108.51 1pwj n PHE 62 Ca -0.08 0.00 -0.19 0.00 -0.56 0.00 0.00 57.45 56.62 1pwj n PHE 62 Cb 0.54 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.44 1pwj n PHE 62 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 1pwj h GLY 63 N 3.12 -1.16 -6.70 4.97 0.00 -1.97 -3.46 103.07 97.87 1pwj h GLY 63 Ca 0.00 0.49 -0.54 0.00 0.00 0.00 0.00 47.33 47.27 1pwj h GLY 63 CO 0.00 -0.40 -0.95 1.44 0.00 0.00 0.00 176.54 176.63 1pwj n SER 64 N -5.57 -1.73 -1.09 0.19 7.64 -1.25 -4.82 113.62 107.00 1pwj n SER 64 Ca -0.13 -1.15 -0.04 0.00 1.01 0.00 0.00 58.87 58.56 1pwj n SER 64 Cb 0.45 -2.43 -0.03 0.00 -1.01 0.00 0.00 64.21 61.20 1pwj n SER 64 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pwj n TYR 65 N -4.56 -0.24 0.00 1.43 9.36 -1.26 -4.96 117.16 116.93 1pwj n TYR 65 Ca -0.23 -0.49 0.00 0.00 3.32 0.00 0.00 57.90 60.49 1pwj n TYR 65 Cb 0.65 0.56 0.00 0.00 -0.63 0.00 0.00 39.34 39.92 1pwj n TYR 65 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1pwj n VAL 66 N -0.18 0.00 0.21 2.97 0.31 -1.26 -4.43 118.33 115.95 1pwj n VAL 66 Ca -0.19 0.36 0.07 0.00 -0.01 0.00 0.00 64.34 64.58 1pwj n VAL 66 Cb 0.60 -1.15 0.45 0.00 -0.91 0.00 0.00 33.84 32.83 1pwj n VAL 66 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1pwj h THR 67 N 0.00 0.82 -0.71 2.52 2.02 -1.97 -3.08 112.91 112.51 1pwj h THR 67 Ca 0.00 -1.19 0.21 0.00 0.77 0.00 0.00 66.41 66.19 1pwj h THR 67 Cb 0.00 1.73 -0.03 0.00 -1.74 0.00 0.00 68.15 68.11 1pwj h THR 67 CO 0.00 0.29 0.82 0.45 0.37 0.00 0.00 175.52 177.45 1pwj h HIS 68 N 0.00 0.00 0.00 3.16 -0.00 -1.93 -3.05 115.15 113.33 1pwj h HIS 68 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1pwj h HIS 68 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.12 1pwj h HIS 68 CO 0.00 0.00 -0.52 -0.85 -0.00 0.00 0.00 177.93 176.56 1pwj n GLU 69 N -3.45 0.27 0.00 2.45 0.28 -1.17 -5.12 120.64 113.90 1pwj n GLU 69 Ca 0.15 0.11 0.00 0.00 -0.16 0.00 0.00 57.16 57.26 1pwj n GLU 69 Cb 1.06 -0.95 0.00 0.00 1.43 0.00 0.00 31.44 32.99 1pwj n GLU 69 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1pwj n THR 70 N -3.64 0.00 -2.18 3.84 5.66 -1.15 -4.66 114.28 112.15 1pwj n THR 70 Ca -0.07 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.89 1pwj n THR 70 Cb 0.27 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.01 1pwj n THR 70 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1pwj n LYS 71 N 0.00 0.09 -3.05 1.09 4.01 -1.26 -4.39 118.16 114.65 1pwj n LYS 71 Ca 0.00 -1.32 -0.38 0.00 -0.51 0.00 0.00 58.31 56.10 1pwj n LYS 71 Cb 0.00 0.33 -0.01 0.00 -0.51 0.00 0.00 35.03 34.83 1pwj n LYS 71 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1pwj n HIS 72 N 0.06 2.74 -4.52 2.13 8.25 -1.26 -4.89 115.22 117.73 1pwj n HIS 72 Ca -0.18 -3.03 -0.30 0.00 -0.26 0.00 0.00 57.72 53.96 1pwj n HIS 72 Cb 0.83 -1.03 -0.07 0.00 1.12 0.00 0.00 29.99 30.83 1pwj n HIS 72 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 1pwj s PHE 73 N -2.99 2.07 -0.30 4.41 -0.12 -1.26 -1.36 117.98 118.43 1pwj s PHE 73 Ca 0.35 -0.83 -0.02 0.00 -0.05 0.00 0.00 56.93 56.39 1pwj s PHE 73 Cb 0.11 -1.74 0.19 0.00 -0.63 0.00 0.00 43.02 40.95 1pwj s PHE 73 CO 0.03 0.17 0.62 -1.50 -0.05 0.00 0.00 175.22 174.49 1pwj s ILE 74 N -2.79 -0.98 0.04 -4.49 2.07 0.19 -1.76 121.20 113.48 1pwj s ILE 74 Ca 0.21 0.00 -0.17 0.00 -1.41 0.00 0.00 60.65 59.28 1pwj s ILE 74 Cb 0.03 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.56 1pwj s ILE 74 CO 0.11 0.00 0.48 -0.31 -1.91 0.00 0.00 174.94 173.32 1pwj s TYR 75 N 2.86 3.77 -0.30 3.50 2.02 -0.73 -2.07 117.35 126.40 1pwj s TYR 75 Ca 0.19 1.13 -0.11 0.00 -0.37 0.00 0.00 57.07 57.91 1pwj s TYR 75 Cb -0.15 -2.39 0.13 0.00 -0.40 0.00 0.00 41.96 39.16 1pwj s TYR 75 CO -0.21 0.62 0.69 -0.59 -1.57 0.00 0.00 175.55 174.49 1pwj s PHE 76 N -1.10 -1.25 0.00 2.71 -0.12 -0.83 -3.94 117.98 113.45 1pwj s PHE 76 Ca 0.26 2.19 -0.16 0.00 -0.05 0.00 0.00 56.93 59.17 1pwj s PHE 76 Cb -0.18 0.75 -0.06 0.00 -0.63 0.00 0.00 43.02 42.90 1pwj s PHE 76 CO 0.16 -0.62 0.44 -0.47 -0.05 0.00 0.00 175.22 174.68 1pwj s TYR 77 N 2.72 3.73 0.31 3.49 5.04 0.12 -1.93 117.35 130.83 1pwj s TYR 77 Ca -0.06 1.03 0.09 0.00 -2.44 0.00 0.00 57.07 55.68 1pwj s TYR 77 Cb -0.11 -2.34 -0.04 0.00 0.35 0.00 0.00 41.96 39.82 1pwj s TYR 77 CO -0.19 0.60 0.10 -0.51 -1.34 0.00 0.00 175.55 174.21 1pwj s LEU 78 N -0.95 3.29 -0.69 6.97 1.02 0.28 -0.30 118.68 128.30 1pwj s LEU 78 Ca 0.25 -0.68 -0.28 0.00 0.02 0.00 0.00 54.13 53.43 1pwj s LEU 78 Cb -0.17 -1.79 -0.13 0.00 0.02 0.00 0.00 46.19 44.12 1pwj s LEU 78 CO 0.14 -0.18 2.53 0.61 0.02 0.00 0.00 176.35 179.47 1pwj n GLY 79 N -1.07 -0.09 2.21 -3.19 0.00 -1.22 0.10 105.19 101.93 1pwj n GLY 79 Ca -0.05 0.86 -0.09 0.00 0.00 0.00 0.00 46.02 46.75 1pwj n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pwj n GLN 80 N 8.79 -0.64 -3.58 1.61 3.00 -1.26 -5.00 117.38 120.31 1pwj n GLN 80 Ca 0.49 0.61 -0.11 0.00 -0.01 0.00 0.00 57.00 57.97 1pwj n GLN 80 Cb 0.34 -4.53 -0.04 0.00 0.00 0.00 0.00 30.24 26.01 1pwj n GLN 80 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1pwj s VAL 81 N -2.37 0.05 0.01 5.09 1.01 0.11 -5.09 120.40 119.21 1pwj s VAL 81 Ca 0.00 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.63 1pwj s VAL 81 Cb 0.00 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 1pwj s VAL 81 CO 0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 175.10 174.78 1pwj s ALA 82 N -3.49 0.87 -0.01 5.51 0.00 -0.47 0.10 121.76 124.27 1pwj s ALA 82 Ca 0.01 -0.58 -0.00 0.00 0.00 0.00 0.00 51.96 51.38 1pwj s ALA 82 Cb 0.01 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.97 1pwj s ALA 82 CO -0.10 0.17 0.01 0.42 0.00 0.00 0.00 175.76 176.26 1pwj s ILE 83 N -0.57 -0.01 -0.11 0.00 1.01 -0.81 0.37 121.20 121.07 1pwj s ILE 83 Ca 0.01 0.05 -0.03 0.00 0.00 0.00 0.00 60.65 60.68 1pwj s ILE 83 Cb -0.06 -0.03 0.04 0.00 0.01 0.00 0.00 42.46 42.42 1pwj s ILE 83 CO 0.00 0.02 0.05 -1.48 0.00 0.00 0.00 174.94 173.53 1pwj s LEU 84 N 0.24 0.46 -0.18 2.97 2.34 -0.88 -1.96 118.68 121.66 1pwj s LEU 84 Ca -0.02 -0.29 -0.08 0.00 0.06 0.00 0.00 54.13 53.80 1pwj s LEU 84 Cb -0.03 -0.31 -0.04 0.00 -0.56 0.00 0.00 46.19 45.25 1pwj s LEU 84 CO -0.01 -0.27 0.09 -0.22 -1.06 0.00 0.00 176.35 174.88 1pwj s LEU 85 N 2.07 3.99 0.08 1.48 2.96 -0.88 -0.76 118.68 127.62 1pwj s LEU 85 Ca 0.03 0.16 -0.15 0.00 -0.22 0.00 0.00 54.13 53.95 1pwj s LEU 85 Cb -0.14 -2.01 0.03 0.00 0.50 0.00 0.00 46.19 44.56 1pwj s LEU 85 CO -0.06 0.19 0.35 0.72 -1.32 0.00 0.00 176.35 176.23 1pwj s PHE 86 N 0.26 -0.14 0.12 5.38 -0.71 -1.19 0.56 117.98 122.26 1pwj s PHE 86 Ca 0.06 -0.09 -0.08 0.00 -1.04 0.00 0.00 56.93 55.77 1pwj s PHE 86 Cb -0.12 0.16 -0.01 0.00 -1.21 0.00 0.00 43.02 41.85 1pwj s PHE 86 CO -0.00 -0.60 0.22 -1.59 -1.34 0.00 0.00 175.22 171.90 1pwj s LYS 87 N -3.24 0.98 0.50 1.99 0.00 -0.46 0.12 119.74 119.62 1pwj s LYS 87 Ca -0.00 -1.09 0.02 0.00 0.00 0.00 0.00 55.97 54.89 1pwj s LYS 87 Cb 0.01 0.35 0.02 0.00 0.00 0.00 0.00 37.83 38.21 1pwj s LYS 87 CO -0.08 -0.33 0.71 -1.54 0.00 0.00 0.00 175.35 174.11 1pwj s SER 88 N -2.92 5.53 0.00 0.03 1.04 -0.82 -3.99 113.70 112.57 1pwj s SER 88 Ca 0.12 0.05 0.21 0.00 0.48 0.00 0.00 55.95 56.81 1pwj s SER 88 Cb 0.04 -1.10 0.17 0.00 0.10 0.00 0.00 66.02 65.23 1pwj s SER 88 CO -0.05 -0.93 1.17 0.61 0.98 0.00 0.00 173.24 175.02