#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pwk n SER 2 N 0.00 -5.18 -2.69 7.83 2.88 -1.26 -3.39 113.62 111.82 1pwk n SER 2 Ca 0.00 -0.05 -0.07 0.00 -1.33 0.00 0.00 58.87 57.42 1pwk n SER 2 Cb 0.00 -4.30 0.01 0.00 -0.75 0.00 0.00 64.21 59.17 1pwk n SER 2 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1pwk n ASP 3 N -2.09 -7.25 -3.31 -3.46 9.92 -1.26 -5.04 116.55 104.06 1pwk n ASP 3 Ca -0.17 0.48 -0.19 0.00 -0.53 0.00 0.00 54.79 54.38 1pwk n ASP 3 Cb 0.64 -4.88 -0.08 0.00 -0.64 0.00 0.00 41.12 36.16 1pwk n ASP 3 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1pwk s ARG 4 N -2.41 0.74 0.00 -1.24 0.52 -1.22 -4.91 118.95 110.44 1pwk s ARG 4 Ca 0.22 -1.25 0.00 0.00 -0.52 0.00 0.00 55.73 54.18 1pwk s ARG 4 Cb -0.06 -0.89 0.00 0.00 0.52 0.00 0.00 34.95 34.52 1pwk s ARG 4 CO 0.68 -1.26 0.00 0.36 0.02 0.00 0.00 175.30 175.10 1pwk n LYS 5 N 3.73 0.00 -2.72 3.54 -0.00 -1.26 -4.94 118.16 116.50 1pwk n LYS 5 Ca 0.17 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 58.05 1pwk n LYS 5 Cb 0.46 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.46 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 -0.88 3.49 -0.25 0.58 0.00 -1.26 0.13 121.76 123.57 1pwk s ALA 6 Ca 0.00 0.26 0.03 0.00 0.00 0.00 0.00 51.96 52.25 1pwk s ALA 6 Cb 0.00 -3.42 0.05 0.00 0.00 0.00 0.00 23.12 19.76 1pwk s ALA 6 CO 0.00 -0.72 -0.12 0.08 0.00 0.00 0.00 175.76 175.00 1pwk s VAL 7 N 2.31 2.14 0.20 0.00 1.01 -0.30 -4.91 120.40 120.86 1pwk s VAL 7 Ca 0.45 -1.54 -0.30 0.00 0.00 0.00 0.00 61.98 60.59 1pwk s VAL 7 Cb -0.17 -2.22 -0.08 0.00 0.00 0.00 0.00 36.38 33.91 1pwk s VAL 7 CO 0.14 0.04 1.20 -0.63 0.00 0.00 0.00 175.10 175.85 1pwk s ILE 8 N 1.13 3.51 0.00 2.22 1.01 -1.26 -0.03 121.20 127.78 1pwk s ILE 8 Ca -0.07 1.29 0.00 0.00 0.00 0.00 0.00 60.65 61.87 1pwk s ILE 8 Cb -0.19 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.45 1pwk s ILE 8 CO -0.06 0.22 0.00 0.29 0.00 0.00 0.00 174.94 175.39 1pwk n LYS 9 N 2.36 0.00 -4.34 2.79 4.76 0.02 -4.91 118.16 118.83 1pwk n LYS 9 Ca 0.04 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.24 1pwk n LYS 9 Cb 0.44 -0.23 -0.08 0.00 -1.84 0.00 0.00 35.03 33.32 1pwk n LYS 9 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1pwk s ASN 10 N -2.93 4.20 -0.30 4.39 0.02 -0.38 -4.99 114.94 114.96 1pwk s ASN 10 Ca 0.00 -0.88 -0.16 0.00 -1.02 0.00 0.00 52.86 50.81 1pwk s ASN 10 Cb 0.00 -0.60 0.18 0.00 0.02 0.00 0.00 41.25 40.85 1pwk s ASN 10 CO 0.00 -0.11 1.17 0.00 0.02 0.00 0.00 177.10 178.18 1pwk s ALA 11 N -2.45 -4.44 -0.76 0.60 0.00 -1.26 -1.27 121.76 112.17 1pwk s ALA 11 Ca 0.33 1.43 0.03 0.00 0.00 0.00 0.00 51.96 53.74 1pwk s ALA 11 Cb -0.03 -2.90 0.28 0.00 0.00 0.00 0.00 23.12 20.47 1pwk s ALA 11 CO 0.19 -2.13 1.03 -3.47 0.00 0.00 0.00 175.76 171.38 1pwk n ASP 12 N 5.05 4.78 -3.89 0.00 2.03 -1.13 -5.00 116.55 118.39 1pwk n ASP 12 Ca 0.10 -3.50 -0.13 0.00 0.52 0.00 0.00 54.79 51.78 1pwk n ASP 12 Cb 0.58 -0.83 -0.08 0.00 -0.72 0.00 0.00 41.12 40.08 1pwk n ASP 12 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 1pwk s MET 13 N -2.86 1.47 0.58 -0.67 1.75 -1.26 -4.07 119.30 114.24 1pwk s MET 13 Ca 0.39 -1.62 0.39 0.00 -1.25 0.00 0.00 55.69 53.61 1pwk s MET 13 Cb 0.15 0.35 1.36 0.00 2.84 0.00 0.00 34.83 39.53 1pwk s MET 13 CO -0.01 -0.55 1.46 1.03 -0.65 0.00 0.00 175.02 176.30 1pwk h SER 14 N 2.39 0.00 0.00 1.11 0.87 -1.96 -3.44 113.55 112.52 1pwk h SER 14 Ca -0.31 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 1pwk h SER 14 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1pwk h SER 14 CO 0.44 0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 176.12 1pwk n GLU 15 N -3.63 0.00 0.18 2.24 1.02 -1.26 -4.84 120.64 114.35 1pwk n GLU 15 Ca 0.34 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.61 1pwk n GLU 15 Cb 1.76 0.00 0.65 0.00 -0.02 0.00 0.00 31.44 33.82 1pwk n GLU 15 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1pwk h ASP 16 N 0.17 0.00 0.10 1.62 3.58 -1.99 -1.51 116.42 118.38 1pwk h ASP 16 Ca 0.00 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.12 1pwk h ASP 16 Cb 0.00 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 1pwk h ASP 16 CO 0.00 0.00 -1.80 0.24 -2.88 0.00 0.00 179.24 174.80 1pwk h MET 17 N 0.00 0.20 0.00 0.28 2.86 -1.92 -1.76 114.93 114.59 1pwk h MET 17 Ca 0.00 -0.35 0.00 0.00 -2.06 0.00 0.00 59.70 57.29 1pwk h MET 17 Cb 0.12 0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.91 1pwk h MET 17 CO 0.00 1.17 0.00 -0.56 1.06 0.00 0.00 176.91 178.58 1pwk h GLN 18 N -0.20 0.00 0.01 1.72 3.07 -1.79 1.50 115.11 119.41 1pwk h GLN 18 Ca -0.40 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.21 1pwk h GLN 18 Cb 1.85 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 29.40 1pwk h GLN 18 CO 0.02 0.00 -0.68 1.96 0.09 0.00 0.00 178.83 180.22 1pwk h GLN 19 N 0.00 0.02 0.00 0.06 4.20 -1.37 -2.40 115.11 115.61 1pwk h GLN 19 Ca 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1pwk h GLN 19 Cb 0.18 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1pwk h GLN 19 CO 0.00 1.01 0.00 0.22 -0.67 0.00 0.00 178.83 179.39 1pwk h ASP 20 N -0.95 0.00 0.00 1.46 3.58 -0.79 -1.91 116.42 117.81 1pwk h ASP 20 Ca -0.18 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.27 1pwk h ASP 20 Cb 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.24 1pwk h ASP 20 CO -0.09 0.00 -0.00 0.00 -2.88 0.00 0.00 179.24 176.26 1pwk h ALA 21 N 2.06 -0.00 -0.02 -0.78 0.00 0.20 0.20 119.26 120.92 1pwk h ALA 21 Ca 0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1pwk h ALA 21 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1pwk h ALA 21 CO 0.00 -0.02 -0.07 0.28 0.00 0.00 0.00 179.25 179.44 1pwk h VAL 22 N -0.96 1.06 0.00 0.00 2.07 -1.30 0.97 116.25 118.09 1pwk h VAL 22 Ca -0.00 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 1pwk h VAL 22 Cb 0.96 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1pwk h VAL 22 CO 0.00 0.08 -0.15 0.44 0.02 0.00 0.00 177.57 177.96 1pwk h ASP 23 N 0.03 0.00 0.18 0.57 5.19 -1.40 0.15 116.42 121.14 1pwk h ASP 23 Ca 0.01 -0.80 0.00 0.00 -0.62 0.00 0.00 57.03 55.62 1pwk h ASP 23 Cb 0.13 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.64 1pwk h ASP 23 CO 0.01 0.98 0.00 0.00 -3.12 0.00 0.00 179.24 177.11 1pwk h ALA 25 N 2.04 0.48 -0.24 0.00 0.00 0.10 -1.49 119.26 120.16 1pwk h ALA 25 Ca 0.00 -1.36 -0.18 0.00 0.00 0.00 0.00 54.91 53.37 1pwk h ALA 25 Cb 0.09 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1pwk h ALA 25 CO 0.00 1.35 -0.56 1.15 0.00 0.00 0.00 179.25 181.18 1pwk h THR 26 N 0.06 1.29 -0.07 0.00 2.02 0.98 0.11 112.91 117.29 1pwk h THR 26 Ca -0.36 -1.76 -0.23 0.00 0.77 0.00 0.00 66.41 64.82 1pwk h THR 26 Cb 2.03 1.77 0.01 0.00 -1.74 0.00 0.00 68.15 70.22 1pwk h THR 26 CO 0.10 0.56 -0.88 1.56 0.37 0.00 0.00 175.52 177.23 1pwk h GLN 27 N 0.55 0.66 -0.81 6.66 1.08 -0.37 0.07 115.11 122.96 1pwk h GLN 27 Ca -0.00 -0.62 -0.04 0.00 -1.45 0.00 0.00 58.65 56.54 1pwk h GLN 27 Cb 1.18 0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 28.72 1pwk h GLN 27 CO 0.12 1.22 0.33 0.00 -0.95 0.00 0.00 178.83 179.56 1pwk h ALA 28 N 0.58 1.05 0.00 3.87 0.00 -1.22 0.86 119.26 124.39 1pwk h ALA 28 Ca -0.08 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1pwk h ALA 28 Cb 1.51 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1pwk h ALA 28 CO 0.17 0.67 -0.27 1.98 0.00 0.00 0.00 179.25 181.80 1pwk h MET 29 N 1.17 0.00 0.13 0.00 1.85 -0.71 1.78 114.93 119.15 1pwk h MET 29 Ca 0.27 0.00 -0.19 0.00 -0.61 0.00 0.00 59.70 59.17 1pwk h MET 29 Cb 0.20 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.25 1pwk h MET 29 CO -0.02 0.27 -0.90 1.49 -0.40 0.00 0.00 176.91 177.35 1pwk h GLU 30 N 0.00 0.27 0.00 0.39 4.22 -0.05 -3.37 114.58 116.04 1pwk h GLU 30 Ca -0.00 -0.45 -0.19 0.00 0.08 0.00 0.00 59.36 58.80 1pwk h GLU 30 Cb 1.00 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 1pwk h GLU 30 CO 0.03 1.22 -1.44 -0.22 -2.18 0.00 0.00 179.01 176.42 1pwk h LYS 31 N -0.41 0.00 -5.03 1.92 3.64 0.70 -3.46 116.57 113.92 1pwk h LYS 31 Ca -0.17 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.66 1pwk h LYS 31 Cb 1.62 0.00 -0.32 0.00 -0.41 0.00 0.00 32.23 33.12 1pwk h LYS 31 CO 0.12 0.32 -0.83 0.71 -2.27 0.00 0.00 179.45 177.50 1pwk s TYR 32 N -2.88 1.63 -0.12 1.91 2.02 0.60 -5.00 117.35 115.51 1pwk s TYR 32 Ca -0.03 -0.51 0.15 0.00 -0.37 0.00 0.00 57.07 56.31 1pwk s TYR 32 Cb 0.09 -1.12 0.29 0.00 -0.40 0.00 0.00 41.96 40.81 1pwk s TYR 32 CO 0.81 -0.21 1.15 0.09 -1.57 0.00 0.00 175.55 175.82 1pwk n ASN 33 N 3.36 1.86 0.06 2.29 5.03 -1.26 -3.41 115.26 123.19 1pwk n ASN 33 Ca -0.19 -3.08 -0.12 0.00 0.87 0.00 0.00 54.58 52.06 1pwk n ASN 33 Cb 0.53 -0.42 -0.02 0.00 -1.02 0.00 0.00 39.78 38.85 1pwk n ASN 33 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 1pwk h ILE 34 N 1.41 1.40 0.00 2.41 2.04 -1.94 -3.47 117.51 119.35 1pwk h ILE 34 Ca -0.01 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.50 1pwk h ILE 34 Cb 1.09 2.31 0.00 0.00 -0.74 0.00 0.00 36.82 39.48 1pwk h ILE 34 CO 0.00 0.70 0.00 -0.62 0.00 0.00 0.00 178.15 178.24 1pwk n GLU 35 N -3.77 0.00 0.08 2.37 1.02 -1.26 -4.59 120.64 114.48 1pwk n GLU 35 Ca -0.06 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.20 1pwk n GLU 35 Cb 0.79 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 32.27 1pwk n GLU 35 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 1pwk h LYS 36 N 0.00 0.00 0.00 3.49 2.10 -1.96 -3.21 116.57 116.99 1pwk h LYS 36 Ca 0.00 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.50 1pwk h LYS 36 Cb 0.00 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.30 1pwk h LYS 36 CO 0.00 0.00 -1.40 -3.47 -2.00 0.00 0.00 179.45 172.58 1pwk n ASP 37 N -2.38 0.82 -0.01 7.07 -0.08 -1.26 -1.79 116.55 118.91 1pwk n ASP 37 Ca 0.01 0.35 -0.07 0.00 -1.51 0.00 0.00 54.79 53.57 1pwk n ASP 37 Cb 0.50 0.27 0.11 0.00 2.34 0.00 0.00 41.12 44.33 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 0.00 5.18 1.08 -1.88 1.23 117.51 124.42 1pwk h ILE 38 Ca -0.15 -1.57 -0.23 0.00 -0.39 0.00 0.00 64.86 62.52 1pwk h ILE 38 Cb 1.51 1.56 -0.04 0.00 -3.07 0.00 0.00 36.82 36.78 1pwk h ILE 38 CO 0.04 0.50 -1.22 0.00 -0.69 0.00 0.00 178.15 176.78 1pwk h ALA 39 N 1.10 0.53 0.00 1.87 0.00 -1.64 -2.01 119.26 119.11 1pwk h ALA 39 Ca 0.04 -1.05 -0.02 0.00 0.00 0.00 0.00 54.91 53.88 1pwk h ALA 39 Cb 0.91 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1pwk h ALA 39 CO 0.08 1.29 -0.40 0.00 0.00 0.00 0.00 179.25 180.22 1pwk h ALA 40 N 1.07 0.81 0.05 0.00 0.00 -1.10 -1.98 119.26 118.10 1pwk h ALA 40 Ca -0.11 -0.08 -0.31 0.00 0.00 0.00 0.00 54.91 54.41 1pwk h ALA 40 Cb 1.81 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.57 1pwk h ALA 40 CO 0.10 0.09 -1.73 -0.92 0.00 0.00 0.00 179.25 176.80 1pwk h TYR 41 N 0.00 0.20 -0.01 0.00 3.20 0.15 -1.36 116.97 119.15 1pwk h TYR 41 Ca -0.01 -0.15 -0.22 0.00 3.14 0.00 0.00 58.73 61.50 1pwk h TYR 41 Cb 1.06 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.32 1pwk h TYR 41 CO 0.00 1.27 -0.91 0.82 -1.64 0.00 0.00 178.16 177.70 1pwk h ILE 42 N 0.03 1.40 0.03 1.81 2.04 -1.43 1.27 117.51 122.65 1pwk h ILE 42 Ca -0.31 -2.40 -0.21 0.00 1.00 0.00 0.00 64.86 62.94 1pwk h ILE 42 Cb 2.01 2.37 -0.01 0.00 -0.74 0.00 0.00 36.82 40.45 1pwk h ILE 42 CO 0.10 0.72 -0.96 0.07 0.00 0.00 0.00 178.15 178.07 1pwk h LYS 43 N 0.24 0.17 0.00 2.37 2.10 -1.48 -2.26 116.57 117.72 1pwk h LYS 43 Ca -0.07 -0.22 -0.20 0.00 -2.00 0.00 0.00 60.65 58.16 1pwk h LYS 43 Cb 1.54 0.07 -0.03 0.00 -0.90 0.00 0.00 32.23 32.91 1pwk h LYS 43 CO 0.16 1.01 -0.93 -0.22 -2.00 0.00 0.00 179.45 177.46 1pwk h LYS 44 N 0.08 0.00 -0.34 0.07 3.64 -1.16 -0.44 116.57 118.42 1pwk h LYS 44 Ca -0.05 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.22 1pwk h LYS 44 Cb 1.64 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.44 1pwk h LYS 44 CO 0.15 0.93 -0.24 0.93 -2.27 0.00 0.00 179.45 178.95 1pwk h GLU 45 N 0.00 0.67 0.00 1.90 4.39 0.17 -1.95 114.58 119.76 1pwk h GLU 45 Ca -0.01 -0.27 -0.09 0.00 0.34 0.00 0.00 59.36 59.33 1pwk h GLU 45 Cb 1.69 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.29 1pwk h GLU 45 CO 0.12 0.85 -0.49 0.74 -1.16 0.00 0.00 179.01 179.07 1pwk h PHE 46 N 0.59 0.00 -0.81 4.33 0.04 -1.42 -3.35 116.94 116.33 1pwk h PHE 46 Ca 0.08 0.00 0.21 0.00 2.80 0.00 0.00 57.97 61.06 1pwk h PHE 46 Cb 0.72 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.82 1pwk h PHE 46 CO 0.03 1.16 0.56 0.22 -0.60 0.00 0.00 178.31 179.68 1pwk h ASP 47 N -1.00 0.17 0.34 2.17 3.58 -1.13 0.48 116.42 121.03 1pwk h ASP 47 Ca -0.13 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.33 1pwk h ASP 47 Cb 1.09 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.13 1pwk h ASP 47 CO -0.08 0.07 0.00 2.29 -2.88 0.00 0.00 179.24 178.64 1pwk n LYS 48 N -4.39 0.16 0.00 0.28 -0.00 -0.73 -4.23 118.16 109.24 1pwk n LYS 48 Ca 0.16 0.17 0.00 0.00 -0.00 0.00 0.00 58.31 58.65 1pwk n LYS 48 Cb 0.76 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 34.29 1pwk n LYS 48 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1pwk n LYS 49 N -1.34 0.00 0.00 -1.58 3.00 0.22 -5.02 118.16 113.44 1pwk n LYS 49 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 1pwk n LYS 49 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.16 1pwk n LYS 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1pwk n TYR 50 N 0.00 0.00 0.00 5.64 4.02 0.14 -4.99 117.16 121.97 1pwk n TYR 50 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1pwk n TYR 50 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1pwk n TYR 50 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1pwk n ASN 51 N -1.28 0.00 -4.65 7.72 5.03 -1.24 -5.01 115.26 115.82 1pwk n ASN 51 Ca 0.00 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.10 1pwk n ASN 51 Cb 0.00 0.00 0.10 0.00 -1.02 0.00 0.00 39.78 38.86 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 0.43 0.00 3.52 -0.02 -1.26 -4.32 135.00 133.34 1pwk n PRO 52 Ca 0.00 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1pwk n PRO 52 Cb 0.00 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 1pwk n PRO 52 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1pwk n THR 53 N -2.78 0.22 -1.58 3.45 -1.04 -1.26 -4.89 114.28 106.39 1pwk n THR 53 Ca 0.13 -0.46 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 1pwk n THR 53 Cb 0.50 1.09 0.00 0.00 -1.82 0.00 0.00 70.33 70.10 1pwk n THR 53 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1pwk n TRP 54 N -0.11 -3.86 -2.55 -1.42 7.02 -1.26 -4.77 117.44 110.49 1pwk n TRP 54 Ca 0.00 2.07 -0.22 0.00 -1.02 0.00 0.00 57.50 58.32 1pwk n TRP 54 Cb 0.15 -3.14 0.01 0.00 -2.42 0.00 0.00 31.31 25.90 1pwk n TRP 54 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 1pwk n HIS 55 N -1.48 2.84 -1.95 -5.99 8.25 0.35 -4.92 115.22 112.31 1pwk n HIS 55 Ca 0.00 -3.08 -0.42 0.00 -0.26 0.00 0.00 57.72 53.95 1pwk n HIS 55 Cb 0.15 -0.18 -0.03 0.00 1.12 0.00 0.00 29.99 31.05 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 7.31 2.91 0.02 0.00 1.01 -0.82 -4.48 121.20 127.16 1pwk s ILE 57 Ca 0.81 -1.82 0.03 0.00 0.00 0.00 0.00 60.65 59.67 1pwk s ILE 57 Cb -0.22 -2.90 -0.02 0.00 0.01 0.00 0.00 42.46 39.33 1pwk s ILE 57 CO 0.33 -0.21 -0.10 -0.69 0.00 0.00 0.00 174.94 174.27 1pwk s VAL 58 N -2.45 0.78 0.00 2.92 1.01 -1.26 -0.58 120.40 120.81 1pwk s VAL 58 Ca 0.36 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1pwk s VAL 58 Cb -0.02 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.64 1pwk s VAL 58 CO 0.21 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.88 1pwk n GLY 59 N 2.13 3.33 2.51 4.51 0.00 0.29 -4.96 105.19 113.01 1pwk n GLY 59 Ca -0.18 -1.13 -0.25 0.00 0.00 0.00 0.00 46.02 44.46 1pwk n GLY 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pwk s ARG 60 N -0.44 0.67 -1.69 1.61 0.52 -1.26 -0.64 118.95 117.72 1pwk s ARG 60 Ca 0.00 -1.43 -0.18 0.00 -0.52 0.00 0.00 55.73 53.59 1pwk s ARG 60 Cb 0.00 -1.17 0.16 0.00 0.52 0.00 0.00 34.95 34.46 1pwk s ARG 60 CO 0.00 -1.26 0.81 -1.13 0.02 0.00 0.00 175.30 173.74 1pwk n SER 61 N 3.73 -3.48 -0.33 0.23 3.41 -1.26 -4.81 113.62 111.10 1pwk n SER 61 Ca 0.17 -0.98 0.05 0.00 -0.26 0.00 0.00 58.87 57.84 1pwk n SER 61 Cb 0.42 -2.84 0.18 0.00 -0.26 0.00 0.00 64.21 61.70 1pwk n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pwk n GLY 62 N -1.40 -0.17 2.91 5.00 0.00 -1.26 -4.92 105.19 105.34 1pwk n GLY 62 Ca 0.08 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 1pwk n GLY 62 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1pwk n ASN 63 N -0.01 -6.30 -2.21 1.61 4.05 -1.26 -4.98 115.26 106.16 1pwk n ASN 63 Ca 0.08 -0.38 -0.03 0.00 0.45 0.00 0.00 54.58 54.70 1pwk n ASN 63 Cb 0.17 -4.53 0.05 0.00 1.23 0.00 0.00 39.78 36.70 1pwk n ASN 63 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 177.26 176.43 1pwk n PHE 64 N -2.43 1.17 -0.07 1.20 1.16 -1.26 -4.81 117.46 112.42 1pwk n PHE 64 Ca -0.04 -1.75 -0.05 0.00 -1.87 0.00 0.00 57.45 53.74 1pwk n PHE 64 Cb 0.56 -0.24 -0.14 0.00 -1.61 0.00 0.00 39.48 38.06 1pwk n PHE 64 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1pwk n GLY 65 N -0.43 -0.85 0.74 4.97 0.00 -1.26 -4.45 105.19 103.92 1pwk n GLY 65 Ca 0.15 -0.31 0.03 0.00 0.00 0.00 0.00 46.02 45.89 1pwk n GLY 65 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pwk n SER 66 N -2.55 2.29 -0.25 1.61 2.88 -1.26 -4.51 113.62 111.83 1pwk n SER 66 Ca -0.24 -3.64 0.00 0.00 -1.33 0.00 0.00 58.87 53.66 1pwk n SER 66 Cb 0.96 -0.55 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1pwk n SER 66 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1pwk n TYR 67 N -1.11 0.00 0.66 0.66 4.02 -1.26 -4.80 117.16 115.33 1pwk n TYR 67 Ca 0.24 -0.01 0.08 0.00 -0.01 0.00 0.00 57.90 58.19 1pwk n TYR 67 Cb 0.83 -0.03 0.05 0.00 -0.02 0.00 0.00 39.34 40.17 1pwk n TYR 67 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1pwk n VAL 68 N -0.02 0.00 0.00 -0.72 0.31 -1.26 -4.70 118.33 111.94 1pwk n VAL 68 Ca 0.00 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 1pwk n VAL 68 Cb 0.60 1.29 0.00 0.00 -0.91 0.00 0.00 33.84 34.83 1pwk n VAL 68 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1pwk n THR 69 N 0.65 0.00 -1.54 2.52 -1.04 -1.26 -4.67 114.28 108.94 1pwk n THR 69 Ca 0.09 0.99 -0.03 0.00 -2.04 0.00 0.00 64.05 63.06 1pwk n THR 69 Cb 0.38 -1.87 -0.01 0.00 -1.82 0.00 0.00 70.33 67.01 1pwk n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pwk n HIS 70 N -1.46 -1.20 -2.87 -1.42 1.44 -1.26 0.59 115.22 109.04 1pwk n HIS 70 Ca 0.00 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.61 1pwk n HIS 70 Cb 0.00 -1.33 0.04 0.00 0.12 0.00 0.00 29.99 28.82 1pwk n HIS 70 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1pwk n GLU 71 N -1.63 -3.73 0.12 -1.40 1.02 -1.26 -4.96 120.64 108.79 1pwk n GLU 71 Ca -0.03 0.44 -0.14 0.00 -0.02 0.00 0.00 57.16 57.42 1pwk n GLU 71 Cb 0.23 -4.26 -0.08 0.00 -0.02 0.00 0.00 31.44 27.31 1pwk n GLU 71 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pwk h THR 72 N -1.16 0.87 -1.16 2.62 1.03 -0.12 -3.49 112.91 111.51 1pwk h THR 72 Ca -0.30 -0.36 0.00 0.00 -0.01 0.00 0.00 66.41 65.74 1pwk h THR 72 Cb 1.18 1.08 0.00 0.00 -1.07 0.00 0.00 68.15 69.35 1pwk h THR 72 CO 0.27 0.08 0.00 0.29 -0.01 0.00 0.00 175.52 176.15 1pwk n LYS 73 N -5.13 0.00 -0.33 0.00 4.76 -1.24 -4.08 118.16 112.14 1pwk n LYS 73 Ca -0.09 0.19 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 1pwk n LYS 73 Cb 0.19 -0.46 0.00 0.00 -1.84 0.00 0.00 35.03 32.92 1pwk n LYS 73 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1pwk n HIS 74 N -0.07 0.00 -3.64 2.13 8.25 -1.26 -4.35 115.22 116.28 1pwk n HIS 74 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1pwk n HIS 74 Cb 0.00 -1.23 0.00 0.00 1.12 0.00 0.00 29.99 29.88 1pwk n HIS 74 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 1pwk n PHE 75 N 1.15 -0.58 -3.48 4.41 1.16 -1.26 -1.10 117.46 117.76 1pwk n PHE 75 Ca 0.00 -0.24 -0.13 0.00 -1.87 0.00 0.00 57.45 55.21 1pwk n PHE 75 Cb 0.00 0.12 -0.04 0.00 -1.61 0.00 0.00 39.48 37.95 1pwk n PHE 75 CO 0.00 0.00 0.00 -1.50 -1.87 0.00 0.00 176.76 173.39 1pwk s ILE 76 N -2.36 0.00 -0.08 1.97 2.07 0.11 -2.84 121.20 120.07 1pwk s ILE 76 Ca 0.06 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.26 1pwk s ILE 76 Cb -0.00 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.63 1pwk s ILE 76 CO 0.01 0.00 0.16 -0.47 -1.91 0.00 0.00 174.94 172.73 1pwk s TYR 77 N -2.57 -0.18 0.13 3.50 5.04 -0.40 -0.87 117.35 122.01 1pwk s TYR 77 Ca -0.02 0.60 -0.10 0.00 -2.44 0.00 0.00 57.07 55.11 1pwk s TYR 77 Cb -0.01 -0.22 0.00 0.00 0.35 0.00 0.00 41.96 42.08 1pwk s TYR 77 CO -0.04 -0.25 0.27 -0.59 -1.34 0.00 0.00 175.55 173.60 1pwk s PHE 78 N 2.09 0.22 0.29 4.97 -0.12 -0.83 -0.80 117.98 123.80 1pwk s PHE 78 Ca 0.01 -0.61 0.08 0.00 -0.05 0.00 0.00 56.93 56.36 1pwk s PHE 78 Cb -0.12 -0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.23 1pwk s PHE 78 CO -0.06 -0.66 0.15 0.71 -0.05 0.00 0.00 175.22 175.31 1pwk s TYR 79 N -3.91 2.86 -0.50 3.49 2.02 0.96 -0.01 117.35 122.27 1pwk s TYR 79 Ca 0.11 -0.25 0.04 0.00 -0.37 0.00 0.00 57.07 56.60 1pwk s TYR 79 Cb 0.04 -1.49 0.17 0.00 -0.40 0.00 0.00 41.96 40.28 1pwk s TYR 79 CO -0.05 0.43 0.38 -0.51 -1.57 0.00 0.00 175.55 174.23 1pwk s LEU 80 N -3.83 2.45 0.00 -1.29 1.02 0.12 -1.15 118.68 116.00 1pwk s LEU 80 Ca 0.35 -3.26 0.00 0.00 0.02 0.00 0.00 54.13 51.25 1pwk s LEU 80 Cb -0.06 -0.81 0.00 0.00 0.02 0.00 0.00 46.19 45.34 1pwk s LEU 80 CO 0.23 -0.15 0.00 0.61 0.02 0.00 0.00 176.35 177.06 1pwk n GLY 81 N 2.65 1.16 0.00 -3.19 0.00 0.34 -1.63 105.19 104.52 1pwk n GLY 81 Ca 0.26 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 0.12 -3.84 1.61 0.00 -1.26 -4.97 117.38 109.04 1pwk n GLN 82 Ca 0.00 -0.10 -0.24 0.00 0.00 0.00 0.00 57.00 56.66 1pwk n GLN 82 Cb 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 30.24 29.68 1pwk n GLN 82 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1pwk s VAL 83 N -0.05 5.25 -0.13 -0.39 1.01 -0.65 -4.35 120.40 121.09 1pwk s VAL 83 Ca 0.00 -0.72 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 1pwk s VAL 83 Cb 0.00 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.61 1pwk s VAL 83 CO 0.00 -0.26 -0.08 0.00 0.00 0.00 0.00 175.10 174.76 1pwk s ALA 84 N -1.93 1.46 0.08 5.51 0.00 0.19 0.15 121.76 127.21 1pwk s ALA 84 Ca 0.36 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.67 1pwk s ALA 84 Cb -0.10 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 21.99 1pwk s ALA 84 CO 0.30 -0.49 0.08 0.42 0.00 0.00 0.00 175.76 176.06 1pwk s ILE 85 N 1.65 4.53 -0.33 0.00 1.01 0.99 0.11 121.20 129.16 1pwk s ILE 85 Ca 0.04 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.93 1pwk s ILE 85 Cb -0.13 -3.18 0.14 0.00 0.01 0.00 0.00 42.46 39.30 1pwk s ILE 85 CO -0.09 0.13 0.28 -1.48 0.00 0.00 0.00 174.94 173.78 1pwk s LEU 86 N -2.37 0.22 0.33 2.97 2.34 0.25 -1.97 118.68 120.44 1pwk s LEU 86 Ca 0.29 -1.45 -0.09 0.00 0.06 0.00 0.00 54.13 52.94 1pwk s LEU 86 Cb -0.12 0.19 -0.06 0.00 -0.56 0.00 0.00 46.19 45.63 1pwk s LEU 86 CO 0.22 -0.33 0.66 -0.22 -1.06 0.00 0.00 176.35 175.61 1pwk s LEU 87 N 1.70 3.99 0.00 1.48 0.20 -0.05 -1.94 118.68 124.06 1pwk s LEU 87 Ca 0.14 0.98 0.00 0.00 0.69 0.00 0.00 54.13 55.94 1pwk s LEU 87 Cb -0.17 -3.81 0.00 0.00 -0.43 0.00 0.00 46.19 41.78 1pwk s LEU 87 CO -0.16 -0.25 0.00 2.22 -0.29 0.00 0.00 176.35 177.87 1pwk n PHE 88 N -0.87 0.00 -3.61 5.38 -1.74 -1.25 -0.71 117.46 114.66 1pwk n PHE 88 Ca 0.01 0.00 -0.40 0.00 -0.56 0.00 0.00 57.45 56.50 1pwk n PHE 88 Cb 0.54 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.45 1pwk n PHE 88 CO 0.00 0.00 0.00 0.21 -0.56 0.00 0.00 176.76 176.41 1pwk s LYS 89 N -2.00 2.42 -0.30 3.97 2.47 -0.26 0.13 119.74 126.18 1pwk s LYS 89 Ca 0.00 -1.90 0.03 0.00 -1.56 0.00 0.00 55.97 52.55 1pwk s LYS 89 Cb 0.00 -3.85 0.46 0.00 -1.46 0.00 0.00 37.83 32.99 1pwk s LYS 89 CO 0.00 -1.17 1.61 -1.13 0.16 0.00 0.00 175.35 174.82 1pwk n SER 90 N 4.64 3.57 0.00 1.43 3.41 -1.26 -3.72 113.62 121.68 1pwk n SER 90 Ca -0.04 -3.06 0.00 0.00 -0.26 0.00 0.00 58.87 55.51 1pwk n SER 90 Cb 0.41 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 1pwk n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49