#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pwk s SER 2 N 0.00 6.18 -0.43 7.83 1.04 -1.26 -4.93 113.70 122.13 1pwk s SER 2 Ca 0.00 -0.91 0.02 0.00 0.48 0.00 0.00 55.95 55.55 1pwk s SER 2 Cb 0.00 -2.22 0.54 0.00 0.10 0.00 0.00 66.02 64.44 1pwk s SER 2 CO 0.00 -0.63 1.84 0.47 0.98 0.00 0.00 173.24 175.90 1pwk n ASP 3 N 5.54 4.41 -0.80 7.02 8.00 -1.26 -4.03 116.55 135.42 1pwk n ASP 3 Ca -0.09 -3.43 0.00 0.00 0.71 0.00 0.00 54.79 51.98 1pwk n ASP 3 Cb 0.46 -0.84 -0.00 0.00 -0.02 0.00 0.00 41.12 40.72 1pwk n ASP 3 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1pwk n ARG 4 N -0.86 0.00 0.00 -1.24 1.85 -1.26 -4.98 116.66 110.18 1pwk n ARG 4 Ca 0.52 -1.03 0.00 0.00 -1.00 0.00 0.00 57.85 56.34 1pwk n ARG 4 Cb 1.34 -0.16 0.00 0.00 -1.05 0.00 0.00 32.46 32.59 1pwk n ARG 4 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1pwk n LYS 5 N 0.12 0.00 -2.35 2.89 3.00 -1.26 -4.19 118.16 116.38 1pwk n LYS 5 Ca -0.02 0.13 -0.38 0.00 -0.00 0.00 0.00 58.31 58.04 1pwk n LYS 5 Cb 0.77 -0.77 -0.03 0.00 0.00 0.00 0.00 35.03 34.99 1pwk n LYS 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pwk s ALA 6 N -3.32 2.42 -0.42 3.14 0.00 -1.25 0.15 121.76 122.49 1pwk s ALA 6 Ca 0.00 -1.43 -0.08 0.00 0.00 0.00 0.00 51.96 50.46 1pwk s ALA 6 Cb 0.00 -4.38 0.09 0.00 0.00 0.00 0.00 23.12 18.83 1pwk s ALA 6 CO 0.00 -3.76 0.26 0.08 0.00 0.00 0.00 175.76 172.34 1pwk s VAL 7 N 7.08 4.02 0.39 0.00 1.01 -0.52 -4.90 120.40 127.48 1pwk s VAL 7 Ca 0.51 -1.59 -0.27 0.00 0.00 0.00 0.00 61.98 60.63 1pwk s VAL 7 Cb -0.07 -3.54 -0.11 0.00 0.00 0.00 0.00 36.38 32.66 1pwk s VAL 7 CO 0.08 -0.58 1.35 -0.38 0.00 0.00 0.00 175.10 175.57 1pwk n ILE 8 N 4.85 2.27 0.01 2.22 5.41 -1.26 -0.65 119.36 132.21 1pwk n ILE 8 Ca -0.08 -0.50 -0.01 0.00 1.00 0.00 0.00 62.75 63.16 1pwk n ILE 8 Cb 0.42 -1.71 -0.00 0.00 -0.71 0.00 0.00 39.64 37.64 1pwk n ILE 8 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1pwk n LYS 9 N 0.27 0.05 -4.13 0.38 0.00 0.58 -4.84 118.16 110.47 1pwk n LYS 9 Ca 0.04 0.02 -0.15 0.00 0.00 0.00 0.00 58.31 58.22 1pwk n LYS 9 Cb 0.39 -0.35 -0.11 0.00 0.00 0.00 0.00 35.03 34.95 1pwk n LYS 9 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1pwk s ASN 10 N -5.24 1.33 -0.30 3.14 3.84 -0.05 -4.98 114.94 112.68 1pwk s ASN 10 Ca -0.03 -0.65 -0.19 0.00 0.21 0.00 0.00 52.86 52.21 1pwk s ASN 10 Cb 0.00 -0.00 0.19 0.00 -0.55 0.00 0.00 41.25 40.89 1pwk s ASN 10 CO 0.04 -0.18 1.25 0.00 -2.79 0.00 0.00 177.10 175.42 1pwk s ALA 11 N -1.66 -2.47 -0.48 1.71 0.00 -1.26 0.11 121.76 117.71 1pwk s ALA 11 Ca -0.03 1.94 0.04 0.00 0.00 0.00 0.00 51.96 53.92 1pwk s ALA 11 Cb -0.08 -1.87 0.17 0.00 0.00 0.00 0.00 23.12 21.34 1pwk s ALA 11 CO 0.01 -0.27 0.37 -0.51 0.00 0.00 0.00 175.76 175.36 1pwk s ASP 12 N 0.81 2.25 0.00 0.00 1.11 -1.11 -5.03 116.67 114.70 1pwk s ASP 12 Ca -0.04 -3.21 0.00 0.00 0.18 0.00 0.00 52.55 49.47 1pwk s ASP 12 Cb -0.03 -0.71 0.00 0.00 1.07 0.00 0.00 42.92 43.25 1pwk s ASP 12 CO -0.12 -0.16 0.00 1.15 1.18 0.00 0.00 175.17 177.23 1pwk n MET 13 N 2.69 0.00 0.00 8.23 0.00 -1.26 -4.45 117.12 122.33 1pwk n MET 13 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.97 1pwk n MET 13 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.67 1pwk n MET 13 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1pwk n SER 14 N -0.16 0.43 0.00 3.17 7.64 -1.26 -4.85 113.62 118.60 1pwk n SER 14 Ca 0.00 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 57.90 1pwk n SER 14 Cb 0.00 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 1pwk n SER 14 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1pwk n GLU 15 N -0.28 0.00 0.28 1.43 0.28 -1.26 -4.67 120.64 116.42 1pwk n GLU 15 Ca 0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.13 1pwk n GLU 15 Cb 0.11 -3.61 0.83 0.00 1.43 0.00 0.00 31.44 30.20 1pwk n GLU 15 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1pwk h ASP 16 N 0.00 0.00 0.61 -1.84 3.32 -2.00 -0.12 116.42 116.39 1pwk h ASP 16 Ca 0.00 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.78 1pwk h ASP 16 Cb 0.00 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 1pwk h ASP 16 CO 0.00 0.02 -1.54 0.24 -1.72 0.00 0.00 179.24 176.24 1pwk h MET 17 N 0.00 0.00 0.00 3.56 2.86 -1.97 -2.31 114.93 117.08 1pwk h MET 17 Ca -0.00 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1pwk h MET 17 Cb 0.05 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 1pwk h MET 17 CO 0.00 0.62 -0.12 1.96 1.06 0.00 0.00 176.91 180.44 1pwk h GLN 18 N 0.00 0.00 0.09 1.72 4.20 -1.44 1.74 115.11 121.42 1pwk h GLN 18 Ca -0.22 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.23 1pwk h GLN 18 Cb 1.96 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.73 1pwk h GLN 18 CO 0.09 0.12 -1.35 -0.56 -0.67 0.00 0.00 178.83 176.46 1pwk h GLN 19 N 0.00 0.19 0.00 1.46 3.07 -1.27 -2.49 115.11 116.07 1pwk h GLN 19 Ca -0.00 -0.33 0.00 0.00 0.09 0.00 0.00 58.65 58.41 1pwk h GLN 19 Cb 0.33 0.12 0.00 0.00 0.08 0.00 0.00 27.48 28.01 1pwk h GLN 19 CO 0.02 1.16 0.00 -0.44 0.09 0.00 0.00 178.83 179.65 1pwk h ASP 20 N -0.43 0.00 0.01 0.06 5.19 -1.03 -1.62 116.42 118.61 1pwk h ASP 20 Ca -0.30 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.09 1pwk h ASP 20 Cb 1.66 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.17 1pwk h ASP 20 CO 0.01 0.00 -0.10 0.00 -3.12 0.00 0.00 179.24 176.04 1pwk h ALA 21 N 2.05 -0.01 0.00 3.45 0.00 0.25 0.73 119.26 125.73 1pwk h ALA 21 Ca 0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1pwk h ALA 21 Cb 0.48 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1pwk h ALA 21 CO 0.00 0.03 -0.04 0.28 0.00 0.00 0.00 179.25 179.52 1pwk h VAL 22 N -0.87 0.98 0.16 0.00 2.07 -1.23 1.18 116.25 118.54 1pwk h VAL 22 Ca -0.02 -0.12 -0.33 0.00 0.82 0.00 0.00 66.70 67.05 1pwk h VAL 22 Cb 1.03 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1pwk h VAL 22 CO 0.02 0.03 -1.68 0.44 0.02 0.00 0.00 177.57 176.41 1pwk h ASP 23 N 0.00 0.52 0.60 0.57 3.32 -1.33 -1.67 116.42 118.43 1pwk h ASP 23 Ca -0.00 -0.91 0.00 0.00 0.02 0.00 0.00 57.03 56.14 1pwk h ASP 23 Cb 0.06 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1pwk h ASP 23 CO 0.00 1.75 0.00 0.00 -1.72 0.00 0.00 179.24 179.27 1pwk h ALA 25 N 2.18 0.27 -0.15 0.00 0.00 0.14 -0.95 119.26 120.75 1pwk h ALA 25 Ca 0.00 -1.20 -0.15 0.00 0.00 0.00 0.00 54.91 53.56 1pwk h ALA 25 Cb 0.30 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1pwk h ALA 25 CO 0.00 0.94 -0.55 1.15 0.00 0.00 0.00 179.25 180.78 1pwk h THR 26 N -0.34 1.34 0.04 0.00 2.02 -0.87 -0.95 112.91 114.15 1pwk h THR 26 Ca -0.35 -1.83 -0.25 0.00 0.77 0.00 0.00 66.41 64.76 1pwk h THR 26 Cb 1.75 1.83 0.01 0.00 -1.74 0.00 0.00 68.15 69.99 1pwk h THR 26 CO 0.01 0.56 -1.04 1.56 0.37 0.00 0.00 175.52 176.98 1pwk h GLN 27 N 0.34 0.44 -0.27 6.66 4.20 -0.07 -0.97 115.11 125.43 1pwk h GLN 27 Ca 0.00 -0.52 -0.08 0.00 0.06 0.00 0.00 58.65 58.11 1pwk h GLN 27 Cb 1.08 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 29.00 1pwk h GLN 27 CO 0.10 1.18 -0.16 0.00 -0.67 0.00 0.00 178.83 179.27 1pwk h ALA 28 N 0.63 1.21 0.00 3.87 0.00 -1.04 0.85 119.26 124.78 1pwk h ALA 28 Ca -0.11 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.37 1pwk h ALA 28 Cb 1.70 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 1pwk h ALA 28 CO 0.18 0.51 -0.68 0.52 0.00 0.00 0.00 179.25 179.78 1pwk h MET 29 N 0.44 0.00 0.21 0.00 2.86 -1.12 0.99 114.93 118.30 1pwk h MET 29 Ca 0.08 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.42 1pwk h MET 29 Cb 0.54 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.23 1pwk h MET 29 CO 0.03 0.68 -1.34 1.49 1.06 0.00 0.00 176.91 178.83 1pwk h GLU 30 N 0.00 0.43 0.03 1.72 4.81 -0.60 -3.35 114.58 117.63 1pwk h GLU 30 Ca -0.01 -0.74 -0.27 0.00 -0.13 0.00 0.00 59.36 58.21 1pwk h GLU 30 Cb 1.49 0.28 -0.03 0.00 0.63 0.00 0.00 28.75 31.11 1pwk h GLU 30 CO 0.09 1.36 -1.43 0.87 -0.73 0.00 0.00 179.01 179.17 1pwk h LYS 31 N -0.03 0.06 -5.29 1.92 1.79 0.65 -3.45 116.57 112.21 1pwk h LYS 31 Ca -0.25 -0.11 -0.55 0.00 -2.18 0.00 0.00 60.65 57.57 1pwk h LYS 31 Cb 1.99 0.04 -0.31 0.00 -1.58 0.00 0.00 32.23 32.37 1pwk h LYS 31 CO 0.21 0.83 -0.83 0.71 -1.08 0.00 0.00 179.45 179.29 1pwk s TYR 32 N -2.64 1.61 -0.66 -1.35 1.51 0.34 -5.01 117.35 111.15 1pwk s TYR 32 Ca -0.04 -0.43 0.08 0.00 -1.01 0.00 0.00 57.07 55.67 1pwk s TYR 32 Cb 0.08 -1.08 0.24 0.00 -0.11 0.00 0.00 41.96 41.09 1pwk s TYR 32 CO 0.83 -0.13 1.20 0.09 -1.11 0.00 0.00 175.55 176.42 1pwk n ASN 33 N 3.07 2.74 -2.05 2.29 5.03 -1.26 -3.19 115.26 121.89 1pwk n ASN 33 Ca -0.17 -2.06 0.00 0.00 0.87 0.00 0.00 54.58 53.21 1pwk n ASN 33 Cb 0.53 -0.19 0.00 0.00 -1.02 0.00 0.00 39.78 39.10 1pwk n ASN 33 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1pwk n ILE 34 N 0.19 0.00 0.00 2.41 5.41 -1.26 -5.05 119.36 121.06 1pwk n ILE 34 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.84 1pwk n ILE 34 Cb 0.41 -1.70 0.00 0.00 -0.71 0.00 0.00 39.64 37.64 1pwk n ILE 34 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1pwk n GLU 35 N -0.46 2.54 0.05 0.38 -0.58 -1.26 -4.45 120.64 116.85 1pwk n GLU 35 Ca 0.00 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.85 1pwk n GLU 35 Cb 0.00 -0.86 0.02 0.00 -0.57 0.00 0.00 31.44 30.03 1pwk n GLU 35 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1pwk n LYS 36 N -1.67 0.41 0.03 3.49 2.85 -1.26 -3.46 118.16 118.56 1pwk n LYS 36 Ca 0.00 0.03 0.01 0.00 -1.05 0.00 0.00 58.31 57.29 1pwk n LYS 36 Cb 0.36 -1.67 -0.08 0.00 -0.65 0.00 0.00 35.03 32.99 1pwk n LYS 36 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1pwk n ASP 37 N -2.21 0.80 -0.01 -5.58 -0.08 -1.26 -1.56 116.55 106.64 1pwk n ASP 37 Ca 0.01 0.35 -0.08 0.00 -1.51 0.00 0.00 54.79 53.56 1pwk n ASP 37 Cb 0.48 0.27 0.09 0.00 2.34 0.00 0.00 41.12 44.31 1pwk n ASP 37 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1pwk h ILE 38 N 0.00 1.30 0.04 5.18 1.08 -1.78 0.96 117.51 124.29 1pwk h ILE 38 Ca -0.16 -1.61 -0.23 0.00 -0.39 0.00 0.00 64.86 62.47 1pwk h ILE 38 Cb 1.56 1.59 -0.02 0.00 -3.07 0.00 0.00 36.82 36.88 1pwk h ILE 38 CO 0.04 0.51 -1.08 0.00 -0.69 0.00 0.00 178.15 176.93 1pwk h ALA 39 N 1.07 0.27 0.00 1.87 0.00 -1.64 -1.82 119.26 119.01 1pwk h ALA 39 Ca 0.03 -0.90 -0.02 0.00 0.00 0.00 0.00 54.91 54.02 1pwk h ALA 39 Cb 0.94 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1pwk h ALA 39 CO 0.08 1.16 -0.12 0.00 0.00 0.00 0.00 179.25 180.38 1pwk h ALA 40 N 0.86 0.93 0.02 0.00 0.00 -0.94 -0.50 119.26 119.64 1pwk h ALA 40 Ca -0.05 -0.11 -0.28 0.00 0.00 0.00 0.00 54.91 54.48 1pwk h ALA 40 Cb 1.84 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.57 1pwk h ALA 40 CO 0.15 0.15 -1.52 -0.92 0.00 0.00 0.00 179.25 177.11 1pwk h TYR 41 N 0.00 0.07 0.06 0.00 3.20 0.10 -1.97 116.97 118.43 1pwk h TYR 41 Ca -0.00 -0.05 -0.27 0.00 3.14 0.00 0.00 58.73 61.55 1pwk h TYR 41 Cb 1.01 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.26 1pwk h TYR 41 CO 0.00 1.08 -1.33 0.82 -1.64 0.00 0.00 178.16 177.08 1pwk h ILE 42 N 0.01 1.35 0.05 1.81 2.04 -1.31 0.17 117.51 121.64 1pwk h ILE 42 Ca -0.22 -3.04 -0.24 0.00 1.00 0.00 0.00 64.86 62.36 1pwk h ILE 42 Cb 1.95 2.77 0.00 0.00 -0.74 0.00 0.00 36.82 40.81 1pwk h ILE 42 CO 0.10 0.83 -1.06 0.07 0.00 0.00 0.00 178.15 178.10 1pwk h LYS 43 N 0.04 0.37 0.00 2.37 2.10 -1.20 -2.03 116.57 118.21 1pwk h LYS 43 Ca -0.15 -0.47 -0.17 0.00 -2.00 0.00 0.00 60.65 57.86 1pwk h LYS 43 Cb 1.93 0.15 -0.02 0.00 -0.90 0.00 0.00 32.23 33.38 1pwk h LYS 43 CO 0.15 1.15 -0.79 0.87 -2.00 0.00 0.00 179.45 178.83 1pwk h LYS 44 N 0.18 0.00 -0.05 0.07 1.57 -1.41 -1.74 116.57 115.19 1pwk h LYS 44 Ca -0.10 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.55 1pwk h LYS 44 Cb 1.72 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.02 1pwk h LYS 44 CO 0.18 0.79 -0.57 1.49 -0.57 0.00 0.00 179.45 180.77 1pwk h GLU 45 N 0.00 0.15 0.08 3.15 4.57 -0.59 -1.65 114.58 120.29 1pwk h GLU 45 Ca -0.01 -0.10 -0.20 0.00 -1.18 0.00 0.00 59.36 57.87 1pwk h GLU 45 Cb 1.50 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 30.09 1pwk h GLU 45 CO 0.10 0.68 -1.04 0.74 -1.18 0.00 0.00 179.01 178.31 1pwk h PHE 46 N 0.12 0.30 0.00 0.92 -1.00 -1.33 -3.36 116.94 112.58 1pwk h PHE 46 Ca -0.00 -0.22 -0.05 0.00 2.81 0.00 0.00 57.97 60.52 1pwk h PHE 46 Cb 1.03 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.58 1pwk h PHE 46 CO 0.01 1.40 -0.22 0.38 -1.61 0.00 0.00 178.31 178.28 1pwk h ASP 47 N -0.57 0.00 -0.18 2.17 3.04 -1.40 -1.90 116.42 117.59 1pwk h ASP 47 Ca -0.23 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.55 1pwk h ASP 47 Cb 1.52 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.81 1pwk h ASP 47 CO 0.01 0.22 0.01 0.29 -2.04 0.00 0.00 179.24 177.73 1pwk n LYS 48 N -3.38 2.16 -1.13 4.15 5.02 -0.62 -3.72 118.16 120.63 1pwk n LYS 48 Ca 0.00 -0.95 -0.00 0.00 -2.02 0.00 0.00 58.31 55.34 1pwk n LYS 48 Cb 0.42 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1pwk n LYS 48 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1pwk n LYS 49 N 0.18 0.06 0.00 1.97 -0.00 -1.10 -5.01 118.16 114.26 1pwk n LYS 49 Ca 0.09 -0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 1pwk n LYS 49 Cb 0.55 0.23 0.00 0.00 -0.00 0.00 0.00 35.03 35.81 1pwk n LYS 49 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1pwk n TYR 50 N -0.06 -0.59 0.00 5.58 4.19 -0.73 -4.99 117.16 120.55 1pwk n TYR 50 Ca -0.02 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.19 1pwk n TYR 50 Cb 0.42 0.14 0.00 0.00 0.49 0.00 0.00 39.34 40.39 1pwk n TYR 50 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 1pwk n ASN 51 N -1.78 0.00 -4.56 2.98 5.03 -1.24 -5.04 115.26 110.64 1pwk n ASN 51 Ca 0.00 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.04 1pwk n ASN 51 Cb 0.00 0.00 0.01 0.00 -1.02 0.00 0.00 39.78 38.77 1pwk n ASN 51 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 1pwk n PRO 52 N 0.00 1.04 -4.02 3.52 -0.02 -1.25 -4.71 135.00 129.55 1pwk n PRO 52 Ca 0.00 0.38 -0.08 0.00 -2.02 0.00 0.00 63.50 61.77 1pwk n PRO 52 Cb 0.00 -1.87 -0.11 0.00 -0.02 0.00 0.00 33.50 31.51 1pwk n PRO 52 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1pwk s THR 53 N -1.36 0.15 -0.13 3.45 2.01 -1.26 -5.01 115.64 113.50 1pwk s THR 53 Ca 0.64 -1.27 -0.01 0.00 0.31 0.00 0.00 61.69 61.37 1pwk s THR 53 Cb -0.56 -0.78 -0.02 0.00 0.01 0.00 0.00 72.50 71.15 1pwk s THR 53 CO 0.56 -0.70 -0.11 0.26 -0.69 0.00 0.00 174.62 173.95 1pwk s TRP 54 N -2.47 2.86 -1.08 4.92 0.52 -1.26 -4.23 118.94 118.20 1pwk s TRP 54 Ca -0.07 -0.48 -0.02 0.00 0.02 0.00 0.00 56.10 55.54 1pwk s TRP 54 Cb -0.03 -1.84 0.29 0.00 -1.15 0.00 0.00 33.47 30.74 1pwk s TRP 54 CO -0.05 -0.11 1.82 0.72 0.02 0.00 0.00 176.95 179.36 1pwk n HIS 55 N 3.35 2.63 -2.05 -1.98 8.25 0.14 -4.68 115.22 120.87 1pwk n HIS 55 Ca -0.18 -2.60 -0.42 0.00 -0.26 0.00 0.00 57.72 54.27 1pwk n HIS 55 Cb 0.53 -1.31 -0.03 0.00 1.12 0.00 0.00 29.99 30.30 1pwk n HIS 55 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pwk s ILE 57 N 7.37 3.33 0.14 0.00 1.01 0.74 -4.58 121.20 129.21 1pwk s ILE 57 Ca 0.74 -1.79 0.08 0.00 0.00 0.00 0.00 60.65 59.67 1pwk s ILE 57 Cb -0.18 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 1pwk s ILE 57 CO 0.30 -0.29 -0.17 0.54 0.00 0.00 0.00 174.94 175.31 1pwk s VAL 58 N -2.36 1.62 0.14 2.92 0.11 -1.26 0.09 120.40 121.67 1pwk s VAL 58 Ca 0.34 -1.77 -0.24 0.00 -2.93 0.00 0.00 61.98 57.38 1pwk s VAL 58 Cb -0.05 -1.67 0.07 0.00 -1.53 0.00 0.00 36.38 33.20 1pwk s VAL 58 CO 0.21 -0.30 0.76 -0.83 -3.33 0.00 0.00 175.10 171.61 1pwk s GLY 59 N -2.44 -0.41 -0.87 6.54 0.00 0.38 -4.95 107.32 105.57 1pwk s GLY 59 Ca 0.11 0.39 0.01 0.00 0.00 0.00 0.00 44.72 45.24 1pwk s GLY 59 CO 0.05 0.13 1.15 0.54 0.00 0.00 0.00 173.10 174.96 1pwk n ARG 60 N -0.38 3.59 -4.35 2.90 3.00 -1.26 0.69 116.66 120.85 1pwk n ARG 60 Ca -0.10 -4.62 -0.39 0.00 -0.01 0.00 0.00 57.85 52.73 1pwk n ARG 60 Cb 0.62 -2.39 -0.06 0.00 0.00 0.00 0.00 32.46 30.63 1pwk n ARG 60 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1pwk n SER 61 N 1.06 -2.07 0.00 0.55 2.88 -1.26 -4.86 113.62 109.93 1pwk n SER 61 Ca 0.28 -1.09 0.00 0.00 -1.33 0.00 0.00 58.87 56.73 1pwk n SER 61 Cb 0.37 -1.78 0.00 0.00 -0.75 0.00 0.00 64.21 62.04 1pwk n SER 61 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pwk n GLY 62 N -1.08 -0.80 0.00 0.46 0.00 -1.26 -4.98 105.19 97.53 1pwk n GLY 62 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1pwk n GLY 62 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1pwk n ASN 63 N -1.68 0.00 -2.43 1.61 2.04 -1.26 -5.05 115.26 108.48 1pwk n ASN 63 Ca 0.00 0.00 -0.26 0.00 -0.44 0.00 0.00 54.58 53.88 1pwk n ASN 63 Cb 0.00 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 1pwk n ASN 63 CO 0.00 0.00 0.00 2.22 -0.44 0.00 0.00 177.26 179.04 1pwk n PHE 64 N 0.00 3.29 -0.88 -2.53 -1.74 -1.26 -4.62 117.46 109.72 1pwk n PHE 64 Ca 0.00 -3.01 0.00 0.00 -0.56 0.00 0.00 57.45 53.88 1pwk n PHE 64 Cb 0.00 -0.12 0.00 0.00 1.52 0.00 0.00 39.48 40.88 1pwk n PHE 64 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1pwk n GLY 65 N -0.50 -0.80 0.49 4.97 0.00 -1.26 -4.61 105.19 103.48 1pwk n GLY 65 Ca 0.39 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.48 1pwk n GLY 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pwk n SER 66 N -0.03 2.70 -0.03 1.61 3.41 -1.26 -4.69 113.62 115.33 1pwk n SER 66 Ca 0.00 -3.26 0.00 0.00 -0.26 0.00 0.00 58.87 55.35 1pwk n SER 66 Cb 0.35 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 1pwk n SER 66 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pwk n TYR 67 N -1.11 0.00 1.44 7.33 4.11 -1.26 -4.97 117.16 122.71 1pwk n TYR 67 Ca 0.20 0.00 0.14 0.00 -0.00 0.00 0.00 57.90 58.24 1pwk n TYR 67 Cb 0.76 0.10 0.57 0.00 -0.00 0.00 0.00 39.34 40.77 1pwk n TYR 67 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 1pwk n VAL 68 N 0.00 0.00 0.18 -3.48 0.31 -1.26 -4.21 118.33 109.87 1pwk n VAL 68 Ca 0.00 -0.11 -0.17 0.00 -0.01 0.00 0.00 64.34 64.05 1pwk n VAL 68 Cb 0.08 0.12 -0.09 0.00 -0.91 0.00 0.00 33.84 33.04 1pwk n VAL 68 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1pwk h THR 69 N 1.06 0.04 -1.06 2.52 2.02 -1.93 -3.45 112.91 112.11 1pwk h THR 69 Ca 0.00 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.03 1pwk h THR 69 Cb 0.39 0.04 -0.06 0.00 -1.74 0.00 0.00 68.15 66.78 1pwk h THR 69 CO 0.00 0.00 -0.14 1.41 0.37 0.00 0.00 175.52 177.16 1pwk n HIS 70 N -5.51 -0.36 -2.81 3.16 8.25 -1.26 -0.35 115.22 116.33 1pwk n HIS 70 Ca -0.10 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.27 1pwk n HIS 70 Cb 0.43 -1.94 0.05 0.00 1.12 0.00 0.00 29.99 29.65 1pwk n HIS 70 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1pwk n GLU 71 N -1.04 -3.63 0.12 -0.41 4.71 -1.26 -4.97 120.64 114.16 1pwk n GLU 71 Ca -0.07 0.45 -0.13 0.00 -0.01 0.00 0.00 57.16 57.39 1pwk n GLU 71 Cb 0.31 -4.29 -0.08 0.00 -1.01 0.00 0.00 31.44 26.37 1pwk n GLU 71 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1pwk h THR 72 N -1.08 0.85 -0.23 2.62 1.03 -0.92 -3.46 112.91 111.73 1pwk h THR 72 Ca -0.31 -0.53 -0.10 0.00 -0.01 0.00 0.00 66.41 65.46 1pwk h THR 72 Cb 1.18 1.16 -0.04 0.00 -1.07 0.00 0.00 68.15 69.38 1pwk h THR 72 CO 0.27 0.12 -0.09 0.29 -0.01 0.00 0.00 175.52 176.10 1pwk n LYS 73 N -5.10 -1.12 0.00 0.00 4.01 -1.26 -4.71 118.16 109.98 1pwk n LYS 73 Ca -0.09 0.55 0.00 0.00 -0.51 0.00 0.00 58.31 58.26 1pwk n LYS 73 Cb 0.22 -4.52 0.00 0.00 -0.51 0.00 0.00 35.03 30.22 1pwk n LYS 73 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 1pwk n HIS 74 N -2.47 0.00 -3.73 2.13 -0.00 -1.26 -5.09 115.22 104.80 1pwk n HIS 74 Ca -0.05 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.13 1pwk n HIS 74 Cb 0.35 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.22 1pwk n HIS 74 CO 0.00 0.00 0.00 1.97 0.46 0.00 0.00 176.34 178.77 1pwk n PHE 75 N 0.00 -0.20 -3.77 1.57 -1.74 -1.26 -2.09 117.46 109.97 1pwk n PHE 75 Ca 0.00 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.79 1pwk n PHE 75 Cb 0.00 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 40.93 1pwk n PHE 75 CO 0.00 0.00 0.00 -1.50 -0.56 0.00 0.00 176.76 174.70 1pwk s ILE 76 N -2.22 0.10 -0.20 1.97 2.07 0.19 -2.74 121.20 120.38 1pwk s ILE 76 Ca 0.00 -0.83 -0.04 0.00 -1.41 0.00 0.00 60.65 58.37 1pwk s ILE 76 Cb 0.00 -1.09 0.10 0.00 0.13 0.00 0.00 42.46 41.59 1pwk s ILE 76 CO 0.00 -0.46 0.31 -0.47 -1.91 0.00 0.00 174.94 172.41 1pwk s TYR 77 N -3.16 -0.57 0.06 3.50 5.04 0.30 -1.45 117.35 121.07 1pwk s TYR 77 Ca -0.01 0.80 0.03 0.00 -2.44 0.00 0.00 57.07 55.45 1pwk s TYR 77 Cb 0.01 -0.06 -0.03 0.00 0.35 0.00 0.00 41.96 42.23 1pwk s TYR 77 CO -0.07 -0.56 -0.09 -0.59 -1.34 0.00 0.00 175.55 172.89 1pwk s PHE 78 N 2.46 0.87 0.16 4.97 -0.12 -0.60 -0.31 117.98 125.41 1pwk s PHE 78 Ca 0.06 -0.55 0.04 0.00 -0.05 0.00 0.00 56.93 56.43 1pwk s PHE 78 Cb -0.14 -0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 41.71 1pwk s PHE 78 CO -0.12 -0.05 0.24 0.71 -0.05 0.00 0.00 175.22 175.95 1pwk s TYR 79 N -1.69 3.38 -0.59 3.49 2.02 0.17 -1.04 117.35 123.10 1pwk s TYR 79 Ca -0.04 0.06 0.05 0.00 -0.37 0.00 0.00 57.07 56.77 1pwk s TYR 79 Cb -0.08 -1.61 0.18 0.00 -0.40 0.00 0.00 41.96 40.06 1pwk s TYR 79 CO 0.00 0.51 0.48 1.28 -1.57 0.00 0.00 175.55 176.25 1pwk n LEU 80 N -0.57 1.81 0.00 -1.29 4.32 0.71 -1.44 117.00 120.55 1pwk n LEU 80 Ca -0.08 -4.94 0.00 0.00 -0.02 0.00 0.00 56.01 50.97 1pwk n LEU 80 Cb 0.54 -0.24 0.00 0.00 -1.62 0.00 0.00 43.42 42.11 1pwk n LEU 80 CO 0.47 1.85 0.00 0.61 -1.22 0.00 0.00 177.39 179.09 1pwk n GLY 81 N 2.06 0.91 0.00 -0.72 0.00 0.41 -1.81 105.19 106.04 1pwk n GLY 81 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1pwk n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pwk n GLN 82 N 0.00 3.09 -2.81 1.61 10.64 -1.26 -4.94 117.38 123.71 1pwk n GLN 82 Ca 0.00 0.00 -0.25 0.00 -1.83 0.00 0.00 57.00 54.92 1pwk n GLN 82 Cb 0.00 -0.39 0.01 0.00 -0.86 0.00 0.00 30.24 29.00 1pwk n GLN 82 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1pwk s VAL 83 N -0.54 4.48 -0.18 -0.39 1.01 -0.75 -4.20 120.40 119.82 1pwk s VAL 83 Ca 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 1pwk s VAL 83 Cb 0.00 -3.69 0.06 0.00 0.00 0.00 0.00 36.38 32.75 1pwk s VAL 83 CO 0.00 -0.60 0.04 0.00 0.00 0.00 0.00 175.10 174.54 1pwk s ALA 84 N -2.67 0.89 -0.00 5.51 0.00 0.22 -0.21 121.76 125.50 1pwk s ALA 84 Ca 0.47 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.85 1pwk s ALA 84 Cb -0.10 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 1pwk s ALA 84 CO 0.42 -1.11 0.03 0.42 0.00 0.00 0.00 175.76 175.52 1pwk s ILE 85 N 1.91 4.37 -0.08 0.00 1.01 -0.20 -0.47 121.20 127.74 1pwk s ILE 85 Ca -0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 60.65 60.08 1pwk s ILE 85 Cb -0.16 -2.97 0.04 0.00 0.01 0.00 0.00 42.46 39.37 1pwk s ILE 85 CO -0.08 0.36 0.07 -1.48 0.00 0.00 0.00 174.94 173.81 1pwk s LEU 86 N -1.64 0.24 -0.23 2.97 2.34 0.11 -1.57 118.68 120.91 1pwk s LEU 86 Ca 0.21 -0.15 -0.05 0.00 0.06 0.00 0.00 54.13 54.20 1pwk s LEU 86 Cb -0.12 -0.19 -0.02 0.00 -0.56 0.00 0.00 46.19 45.30 1pwk s LEU 86 CO 0.12 -0.28 0.00 -0.22 -1.06 0.00 0.00 176.35 174.91 1pwk s LEU 87 N 2.14 3.11 0.09 1.48 0.20 -0.53 -0.18 118.68 124.99 1pwk s LEU 87 Ca 0.04 -0.31 -0.01 0.00 0.69 0.00 0.00 54.13 54.54 1pwk s LEU 87 Cb -0.13 -1.81 -0.04 0.00 -0.43 0.00 0.00 46.19 43.78 1pwk s LEU 87 CO -0.05 -0.02 -0.00 0.72 -0.29 0.00 0.00 176.35 176.71 1pwk s PHE 88 N 1.49 0.69 -0.36 5.38 -0.12 -1.25 0.54 117.98 124.34 1pwk s PHE 88 Ca 0.06 -1.12 -0.05 0.00 -0.05 0.00 0.00 56.93 55.77 1pwk s PHE 88 Cb -0.15 -0.44 0.07 0.00 -0.63 0.00 0.00 43.02 41.87 1pwk s PHE 88 CO -0.00 -0.41 0.13 0.21 -0.05 0.00 0.00 175.22 175.10 1pwk s LYS 89 N -3.96 2.41 -0.14 1.99 2.47 -0.89 0.23 119.74 121.85 1pwk s LYS 89 Ca 0.14 -1.42 0.01 0.00 -1.56 0.00 0.00 55.97 53.14 1pwk s LYS 89 Cb 0.08 -3.49 0.21 0.00 -1.46 0.00 0.00 37.83 33.17 1pwk s LYS 89 CO -0.05 -0.82 1.30 -1.13 0.16 0.00 0.00 175.35 174.82 1pwk n SER 90 N 4.73 3.28 -0.31 1.43 3.41 -1.26 -4.48 113.62 120.42 1pwk n SER 90 Ca -0.10 -2.52 0.15 0.00 -0.26 0.00 0.00 58.87 56.15 1pwk n SER 90 Cb 0.43 -0.61 0.67 0.00 -0.26 0.00 0.00 64.21 64.44 1pwk n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49