#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pwj s SER 2 N 0.00 6.76 -1.56 7.83 1.04 -1.26 -2.54 113.70 123.97 1pwj s SER 2 Ca 0.00 2.48 -0.02 0.00 0.48 0.00 0.00 55.95 58.88 1pwj s SER 2 Cb 0.00 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1pwj s SER 2 CO 0.00 -0.66 0.32 0.47 0.98 0.00 0.00 173.24 174.35 1pwj n ASP 3 N 3.18 -5.77 0.00 7.02 8.00 -1.26 -4.94 116.55 122.78 1pwj n ASP 3 Ca 0.09 -0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1pwj n ASP 3 Cb 0.41 -4.68 0.00 0.00 -0.02 0.00 0.00 41.12 36.83 1pwj n ASP 3 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1pwj n ARG 4 N -3.41 0.00 -1.14 -1.24 0.63 -1.05 -4.51 116.66 105.94 1pwj n ARG 4 Ca -0.16 0.34 -0.05 0.00 -0.92 0.00 0.00 57.85 57.06 1pwj n ARG 4 Cb 0.64 -1.01 -0.03 0.00 0.45 0.00 0.00 32.46 32.51 1pwj n ARG 4 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1pwj n LYS 5 N -1.53 0.18 0.00 -0.14 4.81 -1.26 -4.11 118.16 116.11 1pwj n LYS 5 Ca 0.00 -0.78 0.00 0.00 -0.87 0.00 0.00 58.31 56.66 1pwj n LYS 5 Cb 0.00 0.47 0.00 0.00 0.02 0.00 0.00 35.03 35.52 1pwj n LYS 5 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pwj n ALA 6 N -0.21 0.00 -3.58 3.14 0.00 -1.26 -4.77 120.51 113.83 1pwj n ALA 6 Ca -0.20 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.95 1pwj n ALA 6 Cb 0.62 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.95 1pwj n ALA 6 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pwj s VAL 7 N 0.00 0.71 -0.98 0.00 1.01 -0.52 -4.89 120.40 115.74 1pwj s VAL 7 Ca 0.00 -2.03 -0.23 0.00 0.00 0.00 0.00 61.98 59.72 1pwj s VAL 7 Cb 0.00 -1.51 0.06 0.00 0.00 0.00 0.00 36.38 34.92 1pwj s VAL 7 CO 0.00 -0.93 1.40 -0.63 0.00 0.00 0.00 175.10 174.95 1pwj s ILE 8 N 0.82 3.97 0.67 2.22 1.09 -1.26 -0.73 121.20 127.98 1pwj s ILE 8 Ca 0.17 -0.71 0.42 0.00 -1.10 0.00 0.00 60.65 59.43 1pwj s ILE 8 Cb -0.23 -5.02 0.42 0.00 -1.06 0.00 0.00 42.46 36.57 1pwj s ILE 8 CO -0.02 -1.89 2.30 0.11 -0.10 0.00 0.00 174.94 175.34 1pwj h LYS 9 N 9.74 0.00 0.00 2.79 1.57 -1.95 -3.43 116.57 125.29 1pwj h LYS 9 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1pwj h LYS 9 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.33 1pwj h LYS 9 CO 1.39 0.00 0.00 -1.71 -0.57 0.00 0.00 179.45 178.56 1pwj n ASN 10 N -3.06 0.00 -3.72 0.86 2.85 -1.25 -5.06 115.26 105.88 1pwj n ASN 10 Ca -0.03 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.32 1pwj n ASN 10 Cb 0.13 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 41.02 1pwj n ASN 10 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1pwj s ALA 11 N 0.00 -0.56 0.00 5.20 0.00 -1.26 -0.38 121.76 124.75 1pwj s ALA 11 Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 51.96 52.96 1pwj s ALA 11 Cb 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.43 1pwj s ALA 11 CO 0.00 -0.25 0.35 -0.25 0.00 0.00 0.00 175.76 175.61 1pwj n ASP 12 N 4.37 0.53 -3.68 0.00 8.00 -1.26 -4.89 116.55 119.63 1pwj n ASP 12 Ca -0.23 -1.12 -0.41 0.00 0.71 0.00 0.00 54.79 53.74 1pwj n ASP 12 Cb 0.53 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.64 1pwj n ASP 12 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 1pwj n MET 13 N -0.06 4.91 -2.05 -1.24 1.56 -1.06 -4.88 117.12 114.29 1pwj n MET 13 Ca 0.00 -4.23 0.00 0.00 -0.27 0.00 0.00 57.70 53.20 1pwj n MET 13 Cb 0.22 -2.56 0.00 0.00 2.15 0.00 0.00 33.22 33.03 1pwj n MET 13 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1pwj n SER 14 N 0.98 -7.96 -0.59 6.12 2.88 -1.26 -4.04 113.62 109.75 1pwj n SER 14 Ca 0.47 1.46 0.47 0.00 -1.33 0.00 0.00 58.87 59.94 1pwj n SER 14 Cb 0.28 -4.31 0.76 0.00 -0.75 0.00 0.00 64.21 60.18 1pwj n SER 14 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1pwj h GLU 15 N 3.35 0.01 -0.81 -1.46 5.08 -1.92 1.20 114.58 120.04 1pwj h GLU 15 Ca 0.00 -0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.51 1pwj h GLU 15 Cb 0.00 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 1pwj h GLU 15 CO 0.00 0.01 0.53 -0.44 -1.00 0.00 0.00 179.01 178.11 1pwj h ASP 16 N 0.01 0.46 0.85 1.42 3.32 -2.00 0.38 116.42 120.86 1pwj h ASP 16 Ca 0.90 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.93 1pwj h ASP 16 Cb 3.31 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 42.79 1pwj h ASP 16 CO -0.22 0.23 -0.24 0.24 -1.72 0.00 0.00 179.24 177.53 1pwj h MET 17 N 0.48 0.00 -0.27 3.56 2.86 0.14 0.59 114.93 122.28 1pwj h MET 17 Ca 0.40 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.88 1pwj h MET 17 Cb 0.86 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.52 1pwj h MET 17 CO -0.15 0.24 -0.46 1.96 1.06 0.00 0.00 176.91 179.56 1pwj h GLN 18 N 0.00 0.80 0.04 1.72 7.50 -0.31 0.66 115.11 125.52 1pwj h GLN 18 Ca -0.00 -0.49 -0.23 0.00 0.50 0.00 0.00 58.65 58.43 1pwj h GLN 18 Cb 0.73 0.05 -0.01 0.00 0.05 0.00 0.00 27.48 28.31 1pwj h GLN 18 CO 0.03 1.12 -1.01 0.37 -1.50 0.00 0.00 178.83 177.84 1pwj h GLN 19 N 0.56 0.22 0.05 1.46 4.15 -1.07 -2.26 115.11 118.21 1pwj h GLN 19 Ca 0.02 -0.29 -0.00 0.00 0.77 0.00 0.00 58.65 59.15 1pwj h GLN 19 Cb 1.07 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.85 1pwj h GLN 19 CO 0.11 1.06 -0.02 -0.44 -1.93 0.00 0.00 178.83 177.60 1pwj h ASP 20 N 0.10 -0.05 -0.06 -0.69 3.32 0.24 -2.23 116.42 117.04 1pwj h ASP 20 Ca -0.07 -0.61 0.01 0.00 0.02 0.00 0.00 57.03 56.38 1pwj h ASP 20 Cb 1.69 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 41.25 1pwj h ASP 20 CO 0.16 0.67 -0.01 0.00 -1.72 0.00 0.00 179.24 178.34 1pwj h ALA 21 N -0.13 0.05 0.14 3.45 0.00 0.20 0.95 119.26 123.91 1pwj h ALA 21 Ca -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1pwj h ALA 21 Cb 0.66 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1pwj h ALA 21 CO 0.01 -0.49 -0.07 0.28 0.00 0.00 0.00 179.25 178.99 1pwj h VAL 22 N 0.01 0.88 0.00 0.00 2.07 -1.54 0.29 116.25 117.96 1pwj h VAL 22 Ca 0.03 -0.04 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 1pwj h VAL 22 Cb 0.04 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1pwj h VAL 22 CO -0.06 0.01 -0.30 -0.78 0.02 0.00 0.00 177.57 176.46 1pwj h ASP 23 N -0.20 0.00 0.39 0.57 3.58 -1.26 0.46 116.42 119.96 1pwj h ASP 23 Ca -0.02 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.29 1pwj h ASP 23 Cb 0.16 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 1pwj h ASP 23 CO 0.03 0.30 -0.58 0.00 -2.88 0.00 0.00 179.24 176.11 1pwj h ALA 25 N 1.24 0.71 0.15 0.00 0.00 0.56 -0.91 119.26 121.01 1pwj h ALA 25 Ca -0.00 -0.40 -0.20 0.00 0.00 0.00 0.00 54.91 54.30 1pwj h ALA 25 Cb 1.07 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.88 1pwj h ALA 25 CO 0.09 0.51 -0.91 1.15 0.00 0.00 0.00 179.25 180.09 1pwj h THR 26 N 0.00 1.46 0.00 0.00 2.02 0.24 -1.77 112.91 114.86 1pwj h THR 26 Ca -0.03 -2.54 -0.12 0.00 0.77 0.00 0.00 66.41 64.49 1pwj h THR 26 Cb 1.32 3.15 -0.02 0.00 -1.74 0.00 0.00 68.15 70.86 1pwj h THR 26 CO 0.05 0.72 -0.58 1.56 0.37 0.00 0.00 175.52 177.63 1pwj h GLN 27 N -0.34 0.00 0.01 6.66 1.08 -0.44 -0.96 115.11 121.11 1pwj h GLN 27 Ca -0.16 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.04 1pwj h GLN 27 Cb 1.69 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.12 1pwj h GLN 27 CO 0.15 0.58 -0.00 0.00 -0.95 0.00 0.00 178.83 178.61 1pwj h ALA 28 N 1.42 -0.01 0.00 3.87 0.00 -1.24 0.18 119.26 123.48 1pwj h ALA 28 Ca -0.01 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 1pwj h ALA 28 Cb 1.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1pwj h ALA 28 CO 0.08 -0.15 -0.25 1.98 0.00 0.00 0.00 179.25 180.90 1pwj h MET 29 N -0.71 0.00 0.07 0.00 1.85 -1.36 0.67 114.93 115.45 1pwj h MET 29 Ca -0.00 0.00 -0.11 0.00 -0.61 0.00 0.00 59.70 58.98 1pwj h MET 29 Cb 0.70 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.74 1pwj h MET 29 CO 0.00 0.25 -0.48 1.49 -0.40 0.00 0.00 176.91 177.77 1pwj h GLU 30 N 0.00 0.15 0.00 0.39 4.57 -1.19 -3.32 114.58 115.18 1pwj h GLU 30 Ca -0.00 -0.25 -0.07 0.00 -1.18 0.00 0.00 59.36 57.85 1pwj h GLU 30 Cb 0.62 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.29 1pwj h GLU 30 CO 0.03 1.12 -0.35 -0.22 -1.18 0.00 0.00 179.01 178.41 1pwj h LYS 31 N -0.68 0.00 -3.65 1.92 1.63 -0.55 -3.45 116.57 111.79 1pwj h LYS 31 Ca -0.09 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.57 1pwj h LYS 31 Cb 1.34 0.00 -0.19 0.00 -0.60 0.00 0.00 32.23 32.78 1pwj h LYS 31 CO 0.06 0.35 -0.50 0.71 -3.45 0.00 0.00 179.45 176.62 1pwj s TYR 32 N -3.47 0.12 -0.31 1.91 2.02 0.23 -5.05 117.35 112.80 1pwj s TYR 32 Ca 0.01 -0.31 0.18 0.00 -0.37 0.00 0.00 57.07 56.58 1pwj s TYR 32 Cb 0.10 -0.09 0.47 0.00 -0.40 0.00 0.00 41.96 42.04 1pwj s TYR 32 CO 0.68 -0.33 1.03 0.09 -1.57 0.00 0.00 175.55 175.46 1pwj n ASN 33 N 1.12 2.00 0.01 2.29 4.13 -1.26 -3.52 115.26 120.03 1pwj n ASN 33 Ca -0.21 -2.65 0.11 0.00 1.68 0.00 0.00 54.58 53.51 1pwj n ASN 33 Cb 0.57 -0.50 -0.11 0.00 -1.54 0.00 0.00 39.78 38.20 1pwj n ASN 33 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1pwj n ILE 34 N -0.31 0.08 0.00 2.41 5.41 -1.26 -4.99 119.36 120.70 1pwj n ILE 34 Ca 0.13 -0.34 0.00 0.00 1.00 0.00 0.00 62.75 63.54 1pwj n ILE 34 Cb 0.81 0.24 0.00 0.00 -0.71 0.00 0.00 39.64 39.98 1pwj n ILE 34 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1pwj n GLU 35 N -2.06 0.00 0.01 0.38 -0.58 -1.26 -4.39 120.64 112.73 1pwj n GLU 35 Ca -0.01 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.62 1pwj n GLU 35 Cb 0.49 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.27 1pwj n GLU 35 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1pwj h LYS 36 N 0.00 -0.11 -0.40 3.49 3.64 -1.98 -3.19 116.57 118.03 1pwj h LYS 36 Ca 0.00 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.50 1pwj h LYS 36 Cb 0.00 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1pwj h LYS 36 CO 0.00 0.44 0.30 0.22 -2.27 0.00 0.00 179.45 178.14 1pwj h ASP 37 N -0.83 0.00 0.00 4.20 3.58 -1.99 -1.35 116.42 120.03 1pwj h ASP 37 Ca -0.01 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 1pwj h ASP 37 Cb 0.60 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.65 1pwj h ASP 37 CO 0.02 0.00 -0.00 0.40 -2.88 0.00 0.00 179.24 176.78 1pwj h ILE 38 N 0.00 1.00 0.00 2.25 1.08 -1.88 -0.55 117.51 119.41 1pwj h ILE 38 Ca 0.19 -0.01 -0.00 0.00 -0.39 0.00 0.00 64.86 64.65 1pwj h ILE 38 Cb 0.79 1.00 -0.00 0.00 -3.07 0.00 0.00 36.82 35.54 1pwj h ILE 38 CO -0.00 0.00 -0.01 0.00 -0.69 0.00 0.00 178.15 177.45 1pwj h ALA 39 N 0.99 1.08 0.21 1.87 0.00 -1.24 -0.98 119.26 121.19 1pwj h ALA 39 Ca -0.00 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 1pwj h ALA 39 Cb 0.01 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.82 1pwj h ALA 39 CO 0.00 0.01 -1.56 0.00 0.00 0.00 0.00 179.25 177.70 1pwj h ALA 40 N 1.99 -0.01 0.00 0.00 0.00 -1.14 -0.76 119.26 119.35 1pwj h ALA 40 Ca -0.00 -0.98 -0.07 0.00 0.00 0.00 0.00 54.91 53.86 1pwj h ALA 40 Cb 0.09 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1pwj h ALA 40 CO 0.00 0.82 -0.34 -0.92 0.00 0.00 0.00 179.25 178.82 1pwj h TYR 41 N 0.07 0.00 0.08 0.00 3.20 -0.42 0.59 116.97 120.50 1pwj h TYR 41 Ca -0.29 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.40 1pwj h TYR 41 Cb 2.09 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.36 1pwj h TYR 41 CO 0.12 0.34 -0.90 0.82 -1.64 0.00 0.00 178.16 176.90 1pwj h ILE 42 N 0.00 1.33 -0.59 1.81 2.04 -1.28 -0.91 117.51 119.91 1pwj h ILE 42 Ca -0.00 -2.40 -0.05 0.00 1.00 0.00 0.00 64.86 63.40 1pwj h ILE 42 Cb 0.80 2.95 -0.03 0.00 -0.74 0.00 0.00 36.82 39.80 1pwj h ILE 42 CO 0.04 0.63 0.15 0.50 0.00 0.00 0.00 178.15 179.48 1pwj h LYS 43 N -0.57 0.91 -0.01 2.37 3.64 -1.06 -2.25 116.57 119.60 1pwj h LYS 43 Ca -0.19 -0.19 -0.18 0.00 -1.27 0.00 0.00 60.65 58.82 1pwj h LYS 43 Cb 1.49 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 33.16 1pwj h LYS 43 CO 0.04 0.80 -0.80 0.87 -2.27 0.00 0.00 179.45 178.09 1pwj h LYS 44 N 0.87 0.14 0.81 1.90 1.79 0.11 -1.49 116.57 120.70 1pwj h LYS 44 Ca 0.19 -0.14 -0.04 0.00 -2.18 0.00 0.00 60.65 58.49 1pwj h LYS 44 Cb 0.30 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1pwj h LYS 44 CO -0.00 0.86 -0.44 1.49 -1.08 0.00 0.00 179.45 180.28 1pwj h GLU 45 N 0.08 -1.11 -0.03 3.15 4.57 -0.59 0.15 114.58 120.80 1pwj h GLU 45 Ca -0.03 0.08 -0.11 0.00 -1.18 0.00 0.00 59.36 58.12 1pwj h GLU 45 Cb 1.40 0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 30.23 1pwj h GLU 45 CO 0.12 -0.74 -0.49 0.74 -1.18 0.00 0.00 179.01 177.46 1pwj h PHE 46 N -1.16 0.08 -0.29 0.92 0.04 -1.55 -2.94 116.94 112.05 1pwj h PHE 46 Ca -0.11 -0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.58 1pwj h PHE 46 Cb 0.91 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 39.03 1pwj h PHE 46 CO -0.06 0.54 -0.07 0.22 -0.60 0.00 0.00 178.31 178.35 1pwj h ASP 47 N 0.05 0.45 -0.51 2.17 3.58 -1.09 0.41 116.42 121.49 1pwj h ASP 47 Ca -0.00 -0.10 -0.27 0.00 0.42 0.00 0.00 57.03 57.08 1pwj h ASP 47 Cb 0.89 -0.12 -0.16 0.00 1.72 0.00 0.00 39.33 41.66 1pwj h ASP 47 CO 0.07 0.57 0.34 1.17 -2.88 0.00 0.00 179.24 178.51 1pwj n LYS 48 N -4.25 1.65 0.00 0.28 3.00 0.02 -2.35 118.16 116.52 1pwj n LYS 48 Ca 0.01 -1.55 0.00 0.00 -0.00 0.00 0.00 58.31 56.77 1pwj n LYS 48 Cb 0.28 -1.61 0.00 0.00 0.00 0.00 0.00 35.03 33.70 1pwj n LYS 48 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1pwj n LYS 49 N -0.32 0.00 -0.01 1.64 5.02 -0.87 -4.93 118.16 118.69 1pwj n LYS 49 Ca 0.31 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.64 1pwj n LYS 49 Cb 1.08 -0.12 0.04 0.00 -0.02 0.00 0.00 35.03 36.02 1pwj n LYS 49 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1pwj n TYR 50 N -1.85 0.02 -1.32 2.13 4.02 0.14 -5.11 117.16 115.18 1pwj n TYR 50 Ca 0.00 -0.02 0.11 0.00 -0.01 0.00 0.00 57.90 57.97 1pwj n TYR 50 Cb 0.00 -0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.26 1pwj n TYR 50 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1pwj n ASN 51 N 0.49 -7.16 -3.99 7.72 4.13 -0.99 -4.91 115.26 110.55 1pwj n ASN 51 Ca 0.05 1.43 -0.28 0.00 1.68 0.00 0.00 54.58 57.46 1pwj n ASN 51 Cb 0.23 -4.44 0.21 0.00 -1.54 0.00 0.00 39.78 34.24 1pwj n ASN 51 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1pwj n PRO 52 N -3.58 -2.55 -4.87 3.52 -0.04 -1.26 -4.78 135.00 121.43 1pwj n PRO 52 Ca -0.06 -0.74 -0.33 0.00 -0.04 0.00 0.00 63.50 62.34 1pwj n PRO 52 Cb 0.56 -1.78 -0.16 0.00 -0.04 0.00 0.00 33.50 32.08 1pwj n PRO 52 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1pwj s THR 53 N -2.21 2.43 0.00 0.52 2.01 -1.26 -4.95 115.64 112.18 1pwj s THR 53 Ca 0.56 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 61.69 1pwj s THR 53 Cb -0.13 -1.98 0.00 0.00 0.01 0.00 0.00 72.50 70.40 1pwj s THR 53 CO 0.57 0.54 0.00 0.79 -0.69 0.00 0.00 174.62 175.83 1pwj n TRP 54 N 3.73 -0.09 -2.70 4.92 7.02 -1.26 -0.68 117.44 128.38 1pwj n TRP 54 Ca -0.19 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.23 1pwj n TRP 54 Cb 0.52 0.00 0.09 0.00 -2.42 0.00 0.00 31.31 29.50 1pwj n TRP 54 CO 0.00 0.00 0.00 1.58 -2.02 0.00 0.00 177.69 177.25 1pwj n HIS 55 N -0.03 -1.80 -1.57 -5.99 -0.00 -0.49 -4.92 115.22 100.42 1pwj n HIS 55 Ca 0.00 -1.37 -0.46 0.00 0.46 0.00 0.00 57.72 56.35 1pwj n HIS 55 Cb 0.00 1.38 -0.02 0.00 -0.12 0.00 0.00 29.99 31.23 1pwj n HIS 55 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1pwj s ILE 57 N -0.79 3.02 -0.41 0.00 -1.09 0.80 -4.95 121.20 117.77 1pwj s ILE 57 Ca 0.64 -0.81 0.05 0.00 -2.23 0.00 0.00 60.65 58.30 1pwj s ILE 57 Cb -0.77 -2.20 0.19 0.00 -1.58 0.00 0.00 42.46 38.11 1pwj s ILE 57 CO 0.57 0.54 0.42 0.52 -1.23 0.00 0.00 174.94 175.76 1pwj n VAL 58 N 2.16 -1.01 0.01 2.92 0.31 -1.26 -2.00 118.33 119.46 1pwj n VAL 58 Ca -0.17 -3.46 0.00 0.00 -0.01 0.00 0.00 64.34 60.70 1pwj n VAL 58 Cb 0.52 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 1pwj n VAL 58 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pwj n GLY 59 N 2.41 -1.93 0.00 2.92 0.00 0.12 -4.93 105.19 103.79 1pwj n GLY 59 Ca 0.27 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.95 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 -2.06 0.00 -0.38 1.61 1.74 -1.19 -2.07 116.66 114.32 1pwj n ARG 60 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1pwj n ARG 60 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 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 -0.91 0.00 0.31 0.55 2.04 -1.26 -4.64 115.26 111.35 1pwj n ASN 61 Ca 0.00 -0.95 0.15 0.00 -0.44 0.00 0.00 54.58 53.34 1pwj n ASN 61 Cb 0.00 0.00 0.78 0.00 -2.53 0.00 0.00 39.78 38.03 1pwj n ASN 61 CO 0.00 0.00 0.00 2.19 -0.44 0.00 0.00 177.26 179.01 1pwj h PHE 62 N 0.00 0.00 0.82 -2.53 -0.00 -1.97 -2.54 116.94 110.71 1pwj h PHE 62 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 57.93 1pwj h PHE 62 Cb 0.95 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.90 1pwj h PHE 62 CO -0.22 0.00 -0.47 0.78 -0.00 0.00 0.00 178.31 178.40 1pwj h GLY 63 N 0.00 -1.32 -3.09 6.09 0.00 -1.94 -3.45 103.07 99.37 1pwj h GLY 63 Ca 0.02 0.52 -0.20 0.00 0.00 0.00 0.00 47.33 47.67 1pwj h GLY 63 CO -0.00 -0.45 -0.23 -1.14 0.00 0.00 0.00 176.54 174.71 1pwj n SER 64 N -5.44 -3.11 -2.22 0.19 3.41 -0.96 -4.82 113.62 100.68 1pwj n SER 64 Ca -0.15 0.25 -0.29 0.00 -0.26 0.00 0.00 58.87 58.42 1pwj n SER 64 Cb 0.49 -2.79 0.04 0.00 -0.26 0.00 0.00 64.21 61.69 1pwj n SER 64 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1pwj n TYR 65 N -2.64 2.99 0.00 7.33 4.01 -1.26 -4.72 117.16 122.87 1pwj n TYR 65 Ca -0.11 -2.59 0.00 0.00 -0.16 0.00 0.00 57.90 55.04 1pwj n TYR 65 Cb 0.49 -0.76 0.00 0.00 -0.31 0.00 0.00 39.34 38.76 1pwj n TYR 65 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1pwj n VAL 66 N -0.76 0.00 0.11 -0.72 0.31 -1.26 -3.93 118.33 112.08 1pwj n VAL 66 Ca 0.51 0.66 -0.02 0.00 -0.01 0.00 0.00 64.34 65.47 1pwj n VAL 66 Cb 0.79 -1.55 0.04 0.00 -0.91 0.00 0.00 33.84 32.21 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 1.39 -0.06 2.52 2.02 -1.87 -2.69 112.91 114.23 1pwj h THR 67 Ca 0.00 -2.63 0.02 0.00 0.77 0.00 0.00 66.41 64.56 1pwj h THR 67 Cb 0.00 2.47 -0.00 0.00 -1.74 0.00 0.00 68.15 68.88 1pwj h THR 67 CO 0.00 0.72 0.28 -0.74 0.37 0.00 0.00 175.52 176.15 1pwj h HIS 68 N 0.00 0.00 0.00 3.16 6.17 -1.85 -3.14 115.15 119.49 1pwj h HIS 68 Ca -0.01 0.00 -0.11 0.00 0.71 0.00 0.00 60.37 60.96 1pwj h HIS 68 Cb 1.41 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 31.33 1pwj h HIS 68 CO 0.00 0.00 -1.11 -0.85 0.71 0.00 0.00 177.93 176.68 1pwj n GLU 69 N -3.08 0.28 0.00 5.26 0.28 -1.20 -5.11 120.64 117.08 1pwj n GLU 69 Ca -0.01 0.12 0.00 0.00 -0.16 0.00 0.00 57.16 57.11 1pwj n GLU 69 Cb 0.35 -0.98 0.00 0.00 1.43 0.00 0.00 31.44 32.24 1pwj n GLU 69 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1pwj n THR 70 N -3.81 0.00 0.00 3.84 -1.04 -1.02 -4.48 114.28 107.77 1pwj n THR 70 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1pwj n THR 70 Cb 0.47 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 1pwj n THR 70 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1pwj n LYS 71 N 0.00 0.00 -3.08 -2.82 -0.00 -1.24 -4.30 118.16 106.71 1pwj n LYS 71 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.95 1pwj n LYS 71 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.01 1pwj n LYS 71 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1pwj n HIS 72 N 0.00 2.88 -3.50 5.58 8.25 -1.26 -4.90 115.22 122.27 1pwj n HIS 72 Ca 0.00 -3.17 -0.12 0.00 -0.26 0.00 0.00 57.72 54.16 1pwj n HIS 72 Cb 0.00 -0.97 0.01 0.00 1.12 0.00 0.00 29.99 30.15 1pwj n HIS 72 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 1pwj n PHE 73 N 0.87 -1.49 -3.15 4.41 -1.74 -1.26 -2.26 117.46 112.84 1pwj n PHE 73 Ca 0.30 -1.17 0.05 0.00 -0.56 0.00 0.00 57.45 56.07 1pwj n PHE 73 Cb 0.35 -0.25 -0.01 0.00 1.52 0.00 0.00 39.48 41.09 1pwj n PHE 73 CO 0.00 0.00 0.00 -1.50 -0.56 0.00 0.00 176.76 174.70 1pwj s ILE 74 N -1.24 -0.52 0.04 1.97 2.07 0.19 -2.58 121.20 121.14 1pwj s ILE 74 Ca 0.20 0.00 -0.19 0.00 -1.41 0.00 0.00 60.65 59.26 1pwj s ILE 74 Cb -0.02 -0.96 -0.06 0.00 0.13 0.00 0.00 42.46 41.55 1pwj s ILE 74 CO 0.13 0.00 0.55 -0.31 -1.91 0.00 0.00 174.94 173.40 1pwj s TYR 75 N 2.93 3.77 -0.30 3.50 2.02 0.48 -1.80 117.35 127.95 1pwj s TYR 75 Ca 0.07 1.21 -0.08 0.00 -0.37 0.00 0.00 57.07 57.90 1pwj s TYR 75 Cb -0.11 -2.49 0.18 0.00 -0.40 0.00 0.00 41.96 39.14 1pwj s TYR 75 CO -0.15 0.54 0.83 -0.59 -1.57 0.00 0.00 175.55 174.61 1pwj s PHE 76 N -0.90 -1.06 -0.13 2.71 -0.71 -0.10 -3.90 117.98 113.89 1pwj s PHE 76 Ca 0.28 1.26 -0.18 0.00 -1.04 0.00 0.00 56.93 57.25 1pwj s PHE 76 Cb -0.19 0.42 -0.04 0.00 -1.21 0.00 0.00 43.02 42.00 1pwj s PHE 76 CO 0.18 -0.57 0.48 -0.47 -1.34 0.00 0.00 175.22 173.50 1pwj s TYR 77 N 2.84 3.50 -0.06 3.49 6.14 0.09 -1.68 117.35 131.66 1pwj s TYR 77 Ca 0.07 0.87 0.05 0.00 0.64 0.00 0.00 57.07 58.71 1pwj s TYR 77 Cb -0.12 -2.56 -0.01 0.00 0.42 0.00 0.00 41.96 39.69 1pwj s TYR 77 CO -0.17 0.14 -0.24 -0.51 0.64 0.00 0.00 175.55 175.42 1pwj s LEU 78 N 0.73 2.15 0.00 6.97 1.43 0.23 -1.43 118.68 128.76 1pwj s LEU 78 Ca 0.26 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 1pwj s LEU 78 Cb -0.15 -1.40 0.00 0.00 0.03 0.00 0.00 46.19 44.67 1pwj s LEU 78 CO 0.10 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.53 1pwj n GLY 79 N 2.98 0.86 1.39 -3.19 0.00 -1.26 -0.59 105.19 105.37 1pwj n GLY 79 Ca -0.18 0.64 -0.01 0.00 0.00 0.00 0.00 46.02 46.47 1pwj n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pwj n GLN 80 N 0.00 1.52 -3.80 1.61 -0.00 -1.26 -4.83 117.38 110.62 1pwj n GLN 80 Ca 0.00 -3.12 -0.13 0.00 -0.00 0.00 0.00 57.00 53.75 1pwj n GLN 80 Cb 0.00 -1.28 -0.12 0.00 -0.00 0.00 0.00 30.24 28.84 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 -2.64 0.00 -0.11 -0.39 1.01 0.24 -5.09 120.40 113.43 1pwj s VAL 81 Ca 0.38 -0.04 -0.16 0.00 0.00 0.00 0.00 61.98 62.15 1pwj s VAL 81 Cb 0.38 -0.32 -0.05 0.00 0.00 0.00 0.00 36.38 36.39 1pwj s VAL 81 CO -0.07 -0.02 0.42 0.00 0.00 0.00 0.00 175.10 175.42 1pwj s ALA 82 N 0.02 3.54 -0.06 5.51 0.00 -0.88 -0.60 121.76 129.30 1pwj s ALA 82 Ca -0.01 -0.26 0.03 0.00 0.00 0.00 0.00 51.96 51.72 1pwj s ALA 82 Cb -0.02 -2.54 0.01 0.00 0.00 0.00 0.00 23.12 20.57 1pwj s ALA 82 CO 0.00 0.10 -0.15 0.42 0.00 0.00 0.00 175.76 176.14 1pwj s ILE 83 N 0.30 1.28 -0.09 0.00 1.01 -0.68 0.12 121.20 123.15 1pwj s ILE 83 Ca 0.23 -0.60 -0.04 0.00 0.00 0.00 0.00 60.65 60.25 1pwj s ILE 83 Cb -0.15 -1.13 0.05 0.00 0.01 0.00 0.00 42.46 41.24 1pwj s ILE 83 CO 0.09 0.38 0.19 -1.48 0.00 0.00 0.00 174.94 174.12 1pwj s LEU 84 N 0.36 0.39 -0.06 2.97 2.34 -0.84 -0.92 118.68 122.91 1pwj s LEU 84 Ca -0.10 0.41 0.00 0.00 0.06 0.00 0.00 54.13 54.50 1pwj s LEU 84 Cb -0.14 0.50 -0.03 0.00 -0.56 0.00 0.00 46.19 45.96 1pwj s LEU 84 CO 0.03 -0.18 -0.04 -0.22 -1.06 0.00 0.00 176.35 174.88 1pwj s LEU 85 N 1.51 3.33 0.05 1.48 2.96 -0.75 -0.14 118.68 127.13 1pwj s LEU 85 Ca -0.06 0.02 -0.24 0.00 -0.22 0.00 0.00 54.13 53.62 1pwj s LEU 85 Cb -0.11 -1.78 0.06 0.00 0.50 0.00 0.00 46.19 44.85 1pwj s LEU 85 CO -0.07 0.35 0.57 0.72 -1.32 0.00 0.00 176.35 176.60 1pwj s PHE 86 N -0.89 -0.50 0.03 5.38 -0.71 -1.26 0.54 117.98 120.57 1pwj s PHE 86 Ca 0.14 0.60 -0.01 0.00 -1.04 0.00 0.00 56.93 56.62 1pwj s PHE 86 Cb -0.11 0.40 -0.03 0.00 -1.21 0.00 0.00 43.02 42.08 1pwj s PHE 86 CO 0.03 -0.68 -0.02 -1.59 -1.34 0.00 0.00 175.22 171.63 1pwj s LYS 87 N -2.42 0.45 -1.33 1.99 0.00 -0.96 -1.40 119.74 116.07 1pwj s LYS 87 Ca -0.05 -0.85 -0.16 0.00 0.00 0.00 0.00 55.97 54.91 1pwj s LYS 87 Cb -0.01 0.16 0.08 0.00 0.00 0.00 0.00 37.83 38.06 1pwj s LYS 87 CO -0.01 -0.08 1.85 -1.13 0.00 0.00 0.00 175.35 175.98 1pwj n SER 88 N 0.96 4.68 0.00 0.03 3.41 0.14 -4.07 113.62 118.78 1pwj n SER 88 Ca -0.20 -2.91 0.00 0.00 -0.26 0.00 0.00 58.87 55.50 1pwj n SER 88 Cb 0.58 -1.70 0.00 0.00 -0.26 0.00 0.00 64.21 62.83 1pwj n SER 88 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49