#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 7.36 -2.85 3.17 3.41 -1.26 -4.86 113.62 118.59 1pwk n SER 2 Ca 0.00 -3.60 -0.01 0.00 -0.26 0.00 0.00 58.87 55.01 1pwk n SER 2 Cb 0.00 -1.01 0.00 0.00 -0.26 0.00 0.00 64.21 62.94 1pwk n SER 2 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1pwk n ASP 3 N -0.53 -7.08 -3.13 4.04 8.00 -1.26 -5.04 116.55 111.55 1pwk n ASP 3 Ca 0.54 -0.02 0.03 0.00 0.71 0.00 0.00 54.79 56.04 1pwk n ASP 3 Cb 0.61 -4.78 -0.00 0.00 -0.02 0.00 0.00 41.12 36.93 1pwk n ASP 3 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pwk s ARG 4 N -2.96 0.56 0.00 -1.24 1.70 -1.26 -4.99 118.95 110.77 1pwk s ARG 4 Ca 0.02 0.11 0.00 0.00 -0.47 0.00 0.00 55.73 55.39 1pwk s ARG 4 Cb -0.00 0.14 0.00 0.00 -0.57 0.00 0.00 34.95 34.52 1pwk s ARG 4 CO 0.66 -0.91 0.00 0.36 -1.08 0.00 0.00 175.30 174.33 1pwk n LYS 5 N 4.78 0.00 -2.28 3.89 -0.00 -1.26 -4.87 118.16 118.42 1pwk n LYS 5 Ca 0.08 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 58.03 1pwk n LYS 5 Cb 0.57 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 35.56 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 -0.31 2.28 -0.56 0.58 0.00 -1.26 0.13 121.76 122.63 1pwk s ALA 6 Ca 0.00 -1.43 -0.03 0.00 0.00 0.00 0.00 51.96 50.49 1pwk s ALA 6 Cb 0.00 -4.42 0.15 0.00 0.00 0.00 0.00 23.12 18.85 1pwk s ALA 6 CO 0.00 -3.96 0.38 0.08 0.00 0.00 0.00 175.76 172.26 1pwk s VAL 7 N 7.67 3.67 0.09 0.00 1.01 0.12 -4.97 120.40 127.99 1pwk s VAL 7 Ca 0.56 -2.63 -0.30 0.00 0.00 0.00 0.00 61.98 59.60 1pwk s VAL 7 Cb -0.07 -3.42 -0.06 0.00 0.00 0.00 0.00 36.38 32.82 1pwk s VAL 7 CO 0.06 -0.82 1.17 -0.63 0.00 0.00 0.00 175.10 174.88 1pwk s ILE 8 N 0.35 3.98 0.00 2.22 1.01 -1.26 -0.63 121.20 126.87 1pwk s ILE 8 Ca 0.14 1.50 0.00 0.00 0.00 0.00 0.00 60.65 62.29 1pwk s ILE 8 Cb -0.21 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.30 1pwk s ILE 8 CO -0.04 0.16 0.00 0.29 0.00 0.00 0.00 174.94 175.35 1pwk n LYS 9 N 3.46 0.00 -3.53 2.79 4.76 -0.92 -4.90 118.16 119.82 1pwk n LYS 9 Ca 0.07 0.32 -0.14 0.00 -2.87 0.00 0.00 58.31 55.70 1pwk n LYS 9 Cb 0.46 -0.81 -0.05 0.00 -1.84 0.00 0.00 35.03 32.79 1pwk n LYS 9 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1pwk s ASN 10 N -2.44 -0.52 -0.19 4.39 2.47 -1.09 -5.06 114.94 112.50 1pwk s ASN 10 Ca 0.00 0.46 -0.04 0.00 0.42 0.00 0.00 52.86 53.70 1pwk s ASN 10 Cb 0.00 0.44 0.08 0.00 -1.45 0.00 0.00 41.25 40.32 1pwk s ASN 10 CO 0.00 -0.55 0.15 0.00 -3.72 0.00 0.00 177.10 172.99 1pwk s ALA 11 N -1.60 0.10 -1.12 1.71 0.00 -1.26 -2.05 121.76 117.54 1pwk s ALA 11 Ca -0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 51.96 51.80 1pwk s ALA 11 Cb -0.00 -1.19 0.26 0.00 0.00 0.00 0.00 23.12 22.19 1pwk s ALA 11 CO 0.03 -1.21 1.91 -3.47 0.00 0.00 0.00 175.76 173.01 1pwk n ASP 12 N 5.30 7.23 -2.48 0.00 2.03 0.43 -4.94 116.55 124.11 1pwk n ASP 12 Ca -0.06 -3.48 -0.10 0.00 0.52 0.00 0.00 54.79 51.67 1pwk n ASP 12 Cb 0.49 -1.25 -0.03 0.00 -0.72 0.00 0.00 41.12 39.61 1pwk n ASP 12 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1pwk n MET 13 N 0.85 0.87 0.00 -0.67 2.81 -1.26 -3.56 117.12 116.15 1pwk n MET 13 Ca 0.47 -1.38 0.08 0.00 -1.81 0.00 0.00 57.70 55.06 1pwk n MET 13 Cb 0.28 0.71 0.39 0.00 -0.71 0.00 0.00 33.22 33.88 1pwk n MET 13 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1pwk n SER 14 N -1.78 0.00 0.00 7.83 7.64 -1.26 -4.87 113.62 121.19 1pwk n SER 14 Ca -0.03 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.11 1pwk n SER 14 Cb 0.24 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1pwk n SER 14 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1pwk n GLU 15 N -1.38 0.00 0.14 1.43 1.02 -1.26 -4.79 120.64 115.79 1pwk n GLU 15 Ca 0.06 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.32 1pwk n GLU 15 Cb 0.16 0.00 0.52 0.00 -0.02 0.00 0.00 31.44 32.10 1pwk n GLU 15 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1pwk n ASP 16 N 0.77 0.65 -0.08 1.62 2.03 -1.26 -1.37 116.55 118.91 1pwk n ASP 16 Ca 0.00 0.69 -0.22 0.00 0.52 0.00 0.00 54.79 55.78 1pwk n ASP 16 Cb 0.00 -0.82 -0.12 0.00 -0.72 0.00 0.00 41.12 39.46 1pwk n ASP 16 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1pwk n MET 17 N -2.25 0.62 0.25 -0.67 2.81 -1.26 -1.76 117.12 114.85 1pwk n MET 17 Ca 0.01 0.48 0.17 0.00 -1.81 0.00 0.00 57.70 56.55 1pwk n MET 17 Cb 0.18 -1.72 0.83 0.00 -0.71 0.00 0.00 33.22 31.80 1pwk n MET 17 CO 0.00 0.00 0.00 -0.56 1.51 0.00 0.00 175.97 176.92 1pwk h GLN 18 N -0.72 0.00 0.06 0.03 3.07 -1.91 1.68 115.11 117.32 1pwk h GLN 18 Ca -0.39 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.16 1pwk h GLN 18 Cb 1.51 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 29.06 1pwk h GLN 18 CO -0.15 0.00 -0.99 1.96 0.09 0.00 0.00 178.83 179.75 1pwk h GLN 19 N 0.00 0.13 0.00 0.06 4.20 -1.31 -2.46 115.11 115.73 1pwk h GLN 19 Ca 0.00 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.49 1pwk h GLN 19 Cb 0.17 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1pwk h GLN 19 CO 0.00 1.11 0.00 -0.44 -0.67 0.00 0.00 178.83 178.83 1pwk h ASP 20 N -0.65 0.00 0.04 1.46 5.19 -0.63 -1.62 116.42 120.21 1pwk h ASP 20 Ca -0.23 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.18 1pwk h ASP 20 Cb 1.46 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.97 1pwk h ASP 20 CO -0.01 0.00 -0.02 0.00 -3.12 0.00 0.00 179.24 176.09 1pwk h ALA 21 N 2.01 -0.05 0.00 3.45 0.00 0.24 0.26 119.26 125.17 1pwk h ALA 21 Ca 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1pwk h ALA 21 Cb 0.67 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1pwk h ALA 21 CO 0.00 -0.17 -0.17 0.28 0.00 0.00 0.00 179.25 179.19 1pwk h VAL 22 N -0.77 1.01 0.06 0.00 2.07 -1.35 0.19 116.25 117.45 1pwk h VAL 22 Ca -0.00 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 1pwk h VAL 22 Cb 0.67 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1pwk h VAL 22 CO 0.01 0.17 -0.03 -0.78 0.02 0.00 0.00 177.57 176.96 1pwk h ASP 23 N 0.00 -0.06 0.15 0.57 3.58 -1.26 0.60 116.42 119.99 1pwk h ASP 23 Ca -0.00 -0.56 0.00 0.00 0.42 0.00 0.00 57.03 56.89 1pwk h ASP 23 Cb 0.32 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.39 1pwk h ASP 23 CO 0.02 0.65 0.00 0.00 -2.88 0.00 0.00 179.24 177.03 1pwk h ALA 25 N 2.05 0.36 -0.38 0.00 0.00 -0.49 -1.15 119.26 119.65 1pwk h ALA 25 Ca 0.00 -1.32 -0.06 0.00 0.00 0.00 0.00 54.91 53.53 1pwk h ALA 25 Cb 0.08 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1pwk h ALA 25 CO 0.00 1.23 -0.01 1.15 0.00 0.00 0.00 179.25 181.62 1pwk h THR 26 N 0.08 1.26 -0.19 0.00 2.02 0.21 0.28 112.91 116.57 1pwk h THR 26 Ca -0.40 -1.02 -0.20 0.00 0.77 0.00 0.00 66.41 65.57 1pwk h THR 26 Cb 2.06 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 69.64 1pwk h THR 26 CO 0.12 0.34 -0.67 1.56 0.37 0.00 0.00 175.52 177.24 1pwk h GLN 27 N 0.49 0.73 -0.86 6.66 1.08 -0.45 0.26 115.11 123.03 1pwk h GLN 27 Ca 0.11 -0.54 -0.00 0.00 -1.45 0.00 0.00 58.65 56.77 1pwk h GLN 27 Cb 0.49 0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.97 1pwk h GLN 27 CO 0.02 1.16 0.53 0.00 -0.95 0.00 0.00 178.83 179.59 1pwk h ALA 28 N 0.71 1.32 0.00 3.87 0.00 -0.98 1.12 119.26 125.30 1pwk h ALA 28 Ca -0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1pwk h ALA 28 Cb 1.27 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1pwk h ALA 28 CO 0.14 0.59 -0.11 0.52 0.00 0.00 0.00 179.25 180.39 1pwk h MET 29 N 1.17 0.00 0.18 0.00 2.86 -0.29 0.99 114.93 119.85 1pwk h MET 29 Ca 0.31 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.63 1pwk h MET 29 Cb -0.08 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.60 1pwk h MET 29 CO -0.06 0.11 -1.54 1.49 1.06 0.00 0.00 176.91 177.97 1pwk h GLU 30 N 0.00 0.39 0.09 1.72 4.81 0.50 -3.37 114.58 118.73 1pwk h GLU 30 Ca -0.00 -0.67 -0.30 0.00 -0.13 0.00 0.00 59.36 58.26 1pwk h GLU 30 Cb 1.03 0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 1pwk h GLU 30 CO 0.01 1.32 -1.54 0.87 -0.73 0.00 0.00 179.01 178.94 1pwk h LYS 31 N -0.02 0.20 -5.16 1.92 1.79 0.12 -3.46 116.57 111.97 1pwk h LYS 31 Ca -0.30 -0.34 -0.56 0.00 -2.18 0.00 0.00 60.65 57.26 1pwk h LYS 31 Cb 2.00 0.13 -0.32 0.00 -1.58 0.00 0.00 32.23 32.46 1pwk h LYS 31 CO 0.17 1.03 -0.84 0.71 -1.08 0.00 0.00 179.45 179.45 1pwk s TYR 32 N -2.62 1.73 -0.62 -1.35 2.02 0.34 -5.01 117.35 111.85 1pwk s TYR 32 Ca -0.09 -0.54 0.13 0.00 -0.37 0.00 0.00 57.07 56.21 1pwk s TYR 32 Cb 0.07 -1.18 0.42 0.00 -0.40 0.00 0.00 41.96 40.87 1pwk s TYR 32 CO 0.84 -0.21 1.34 0.09 -1.57 0.00 0.00 175.55 176.05 1pwk n ASN 33 N 3.30 3.42 -1.35 2.29 5.03 -1.26 -3.22 115.26 123.46 1pwk n ASN 33 Ca -0.19 -2.44 0.00 0.00 0.87 0.00 0.00 54.58 52.82 1pwk n ASN 33 Cb 0.53 -0.38 0.00 0.00 -1.02 0.00 0.00 39.78 38.91 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 0.12 0.00 0.00 2.41 5.41 -1.26 -5.05 119.36 120.98 1pwk n ILE 34 Ca 0.16 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.91 1pwk n ILE 34 Cb 0.64 -1.37 0.00 0.00 -0.71 0.00 0.00 39.64 38.21 1pwk n ILE 34 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1pwk n GLU 35 N -0.27 1.99 0.02 0.38 0.28 -1.26 -4.39 120.64 117.38 1pwk n GLU 35 Ca 0.00 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.07 1pwk n GLU 35 Cb 0.00 -0.82 -0.10 0.00 1.43 0.00 0.00 31.44 31.95 1pwk n GLU 35 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1pwk n LYS 36 N -1.17 0.64 0.02 3.44 5.02 -1.26 -3.41 118.16 121.43 1pwk n LYS 36 Ca 0.00 -0.01 -0.02 0.00 -2.02 0.00 0.00 58.31 56.26 1pwk n LYS 36 Cb 0.00 -1.66 -0.10 0.00 -0.02 0.00 0.00 35.03 33.25 1pwk n LYS 36 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1pwk n ASP 37 N -2.55 0.84 0.05 4.39 8.00 -1.26 -1.54 116.55 124.47 1pwk n ASP 37 Ca -0.07 0.38 -0.09 0.00 0.71 0.00 0.00 54.79 55.71 1pwk n ASP 37 Cb 0.68 0.13 0.05 0.00 -0.02 0.00 0.00 41.12 41.96 1pwk n ASP 37 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1pwk h ILE 38 N 0.00 1.37 0.00 0.53 1.08 -1.77 1.39 117.51 120.11 1pwk h ILE 38 Ca -0.20 -2.05 -0.16 0.00 -0.39 0.00 0.00 64.86 62.06 1pwk h ILE 38 Cb 1.70 2.03 -0.02 0.00 -3.07 0.00 0.00 36.82 37.45 1pwk h ILE 38 CO 0.05 0.62 -0.84 0.00 -0.69 0.00 0.00 178.15 177.29 1pwk h ALA 39 N 0.98 0.55 0.00 1.87 0.00 -1.65 -1.94 119.26 119.07 1pwk h ALA 39 Ca -0.02 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1pwk h ALA 39 Cb 1.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1pwk h ALA 39 CO 0.12 0.95 -0.74 0.00 0.00 0.00 0.00 179.25 179.58 1pwk h ALA 40 N 1.27 0.63 0.02 0.00 0.00 -1.05 -1.54 119.26 118.59 1pwk h ALA 40 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.60 1pwk h ALA 40 Cb 1.59 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.34 1pwk h ALA 40 CO 0.09 0.00 -1.49 -0.92 0.00 0.00 0.00 179.25 176.93 1pwk h TYR 41 N 0.00 0.09 0.07 0.00 5.03 0.19 -1.51 116.97 120.83 1pwk h TYR 41 Ca 0.00 -0.06 -0.29 0.00 2.58 0.00 0.00 58.73 60.96 1pwk h TYR 41 Cb 1.00 -0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.25 1pwk h TYR 41 CO 0.00 1.09 -1.50 0.82 -1.32 0.00 0.00 178.16 177.26 1pwk h ILE 42 N 0.01 1.16 0.03 1.81 2.04 -1.44 -0.27 117.51 120.85 1pwk h ILE 42 Ca -0.21 -2.87 -0.22 0.00 1.00 0.00 0.00 64.86 62.56 1pwk h ILE 42 Cb 1.95 2.68 -0.00 0.00 -0.74 0.00 0.00 36.82 40.70 1pwk h ILE 42 CO 0.11 0.77 -0.99 0.50 0.00 0.00 0.00 178.15 178.54 1pwk h LYS 43 N 0.04 0.26 0.00 2.37 3.64 -1.39 -2.23 116.57 119.26 1pwk h LYS 43 Ca -0.22 -0.33 -0.14 0.00 -1.27 0.00 0.00 60.65 58.69 1pwk h LYS 43 Cb 1.97 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 33.87 1pwk h LYS 43 CO 0.13 1.06 -0.82 0.87 -2.27 0.00 0.00 179.45 178.42 1pwk h LYS 44 N 0.13 0.00 -0.30 1.90 1.57 -1.36 0.17 116.57 118.67 1pwk h LYS 44 Ca -0.07 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.56 1pwk h LYS 44 Cb 1.65 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.95 1pwk h LYS 44 CO 0.16 0.54 -0.40 1.49 -0.57 0.00 0.00 179.45 180.66 1pwk h GLU 45 N 0.00 0.74 0.05 3.15 4.57 -0.98 -2.11 114.58 120.00 1pwk h GLU 45 Ca -0.05 -0.39 -0.29 0.00 -1.18 0.00 0.00 59.36 57.45 1pwk h GLU 45 Cb 1.51 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 30.09 1pwk h GLU 45 CO 0.07 1.01 -1.60 1.19 -1.18 0.00 0.00 179.01 178.50 1pwk n PHE 46 N -4.04 1.10 -0.19 0.92 3.72 -0.84 -3.49 117.46 114.64 1pwk n PHE 46 Ca -0.02 0.36 -0.04 0.00 -0.05 0.00 0.00 57.45 57.70 1pwk n PHE 46 Cb 0.54 -1.13 0.06 0.00 -0.94 0.00 0.00 39.48 38.01 1pwk n PHE 46 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 1pwk h ASP 47 N -0.55 0.46 -0.36 4.37 1.82 -1.07 0.42 116.42 121.52 1pwk h ASP 47 Ca -0.39 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.27 1pwk h ASP 47 Cb 1.62 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 41.57 1pwk h ASP 47 CO -0.09 0.31 0.00 0.29 -1.61 0.00 0.00 179.24 178.14 1pwk n LYS 48 N -4.83 2.23 -0.33 0.28 5.02 -0.79 -3.38 118.16 116.35 1pwk n LYS 48 Ca 0.05 -1.46 0.00 0.00 -2.02 0.00 0.00 58.31 54.88 1pwk n LYS 48 Cb 0.13 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 1pwk n LYS 48 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pwk n LYS 49 N 0.54 0.00 0.00 1.97 5.02 -0.78 -4.96 118.16 119.96 1pwk n LYS 49 Ca 0.13 -0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 1pwk n LYS 49 Cb 0.45 -0.19 0.00 0.00 -0.02 0.00 0.00 35.03 35.26 1pwk n LYS 49 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1pwk n TYR 50 N 0.00 -0.74 0.00 2.13 4.02 0.14 -4.94 117.16 117.77 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 0.55 0.29 0.00 0.00 -0.02 0.00 0.00 39.34 40.16 1pwk n TYR 50 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1pwk n ASN 51 N -2.08 0.00 -4.74 7.72 2.04 -1.02 -5.03 115.26 112.14 1pwk n ASN 51 Ca 0.00 0.00 -0.40 0.00 -0.44 0.00 0.00 54.58 53.74 1pwk n ASN 51 Cb 0.00 0.00 -0.05 0.00 -2.53 0.00 0.00 39.78 37.20 1pwk n ASN 51 CO 0.00 0.00 0.00 -2.16 -0.44 0.00 0.00 177.26 174.66 1pwk s PRO 52 N -1.36 4.63 0.01 -0.53 0.04 -1.22 -4.12 135.00 132.45 1pwk s PRO 52 Ca 0.00 1.30 -0.05 0.00 0.04 0.00 0.00 61.00 62.29 1pwk s PRO 52 Cb 0.00 -3.35 -0.01 0.00 0.04 0.00 0.00 34.50 31.18 1pwk s PRO 52 CO 0.00 0.29 0.08 0.99 0.04 0.00 0.00 177.00 178.40 1pwk s THR 53 N -0.22 0.09 0.43 1.26 2.01 -1.26 -4.96 115.64 112.99 1pwk s THR 53 Ca 0.43 -0.74 -0.00 0.00 0.31 0.00 0.00 61.69 61.68 1pwk s THR 53 Cb -0.23 -0.36 -0.01 0.00 0.01 0.00 0.00 72.50 71.91 1pwk s THR 53 CO 0.27 -0.41 0.66 0.26 -0.69 0.00 0.00 174.62 174.72 1pwk s TRP 54 N -1.35 3.31 -0.35 4.92 0.52 -1.26 -4.41 118.94 120.31 1pwk s TRP 54 Ca -0.15 0.32 0.12 0.00 0.02 0.00 0.00 56.10 56.41 1pwk s TRP 54 Cb -0.08 -2.23 0.45 0.00 -1.15 0.00 0.00 33.47 30.46 1pwk s TRP 54 CO 0.01 -0.26 1.07 0.72 0.02 0.00 0.00 176.95 178.51 1pwk n HIS 55 N -2.05 2.29 -1.66 -1.98 8.25 0.28 -4.89 115.22 115.47 1pwk n HIS 55 Ca 0.00 -2.74 -0.42 0.00 -0.26 0.00 0.00 57.72 54.30 1pwk n HIS 55 Cb 0.57 -0.24 -0.03 0.00 1.12 0.00 0.00 29.99 31.41 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 8.77 4.07 -0.01 0.00 1.01 0.88 -4.45 121.20 131.47 1pwk s ILE 57 Ca 0.97 -1.45 0.05 0.00 0.00 0.00 0.00 60.65 60.22 1pwk s ILE 57 Cb -0.29 -3.28 -0.01 0.00 0.01 0.00 0.00 42.46 38.89 1pwk s ILE 57 CO 0.33 -0.30 -0.17 -0.69 0.00 0.00 0.00 174.94 174.11 1pwk s VAL 58 N -2.21 1.35 0.00 2.92 1.01 -1.26 -0.50 120.40 121.72 1pwk s VAL 58 Ca 0.35 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1pwk s VAL 58 Cb -0.07 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.18 1pwk s VAL 58 CO 0.25 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.32 1pwk n GLY 59 N 2.61 2.80 0.58 4.51 0.00 -0.24 -4.94 105.19 110.52 1pwk n GLY 59 Ca -0.15 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1pwk n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pwk n ARG 60 N 0.00 0.00 -2.90 1.61 1.74 -1.26 1.00 116.66 116.85 1pwk n ARG 60 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 1pwk n ARG 60 Cb 0.00 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1pwk n ARG 60 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1pwk n SER 61 N -1.44 1.46 -1.66 0.55 2.88 -1.26 -4.49 113.62 109.66 1pwk n SER 61 Ca 0.00 -2.93 0.03 0.00 -1.33 0.00 0.00 58.87 54.63 1pwk n SER 61 Cb 0.00 -0.57 0.30 0.00 -0.75 0.00 0.00 64.21 63.20 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 0.06 2.84 3.13 0.46 0.00 -1.26 -4.93 105.19 105.49 1pwk n GLY 62 Ca 0.18 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 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 0.35 -6.71 -1.03 1.61 4.05 -1.26 -4.96 115.26 107.31 1pwk n ASN 63 Ca 0.25 -0.53 0.05 0.00 0.45 0.00 0.00 54.58 54.80 1pwk n ASN 63 Cb 1.06 -5.03 0.09 0.00 1.23 0.00 0.00 39.78 37.14 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 -2.81 0.00 0.01 1.20 1.16 -1.26 -4.78 117.46 110.98 1pwk n PHE 64 Ca -0.05 -0.85 -0.04 0.00 -1.87 0.00 0.00 57.45 54.64 1pwk n PHE 64 Cb 0.59 -0.18 -0.11 0.00 -1.61 0.00 0.00 39.48 38.17 1pwk n PHE 64 CO 0.00 0.00 0.00 0.78 -1.87 0.00 0.00 176.76 175.67 1pwk h GLY 65 N 0.88 0.00 -3.05 4.97 0.00 -1.99 -3.36 103.07 100.52 1pwk h GLY 65 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.88 1pwk h GLY 65 CO 0.05 0.00 0.28 -1.26 0.00 0.00 0.00 176.54 175.62 1pwk n SER 66 N -2.98 3.30 -0.00 0.19 2.88 -1.26 -4.30 113.62 111.44 1pwk n SER 66 Ca -0.13 -3.63 0.00 0.00 -1.33 0.00 0.00 58.87 53.78 1pwk n SER 66 Cb 0.94 -0.73 -0.01 0.00 -0.75 0.00 0.00 64.21 63.65 1pwk n SER 66 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pwk n TYR 67 N -1.03 0.00 -0.29 0.66 4.19 -1.26 -4.66 117.16 114.76 1pwk n TYR 67 Ca 0.46 0.00 0.34 0.00 3.31 0.00 0.00 57.90 62.01 1pwk n TYR 67 Cb 1.35 -0.06 0.67 0.00 0.49 0.00 0.00 39.34 41.79 1pwk n TYR 67 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 1pwk h VAL 68 N 0.00 0.18 0.42 2.97 2.07 -1.75 -1.14 116.25 119.00 1pwk h VAL 68 Ca -0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1pwk h VAL 68 Cb 0.54 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1pwk h VAL 68 CO 0.00 0.00 -0.20 0.74 0.02 0.00 0.00 177.57 178.13 1pwk h THR 69 N 0.00 0.00 -1.19 2.57 2.02 -1.89 -3.45 112.91 110.96 1pwk h THR 69 Ca 0.55 -0.08 -0.14 0.00 0.77 0.00 0.00 66.41 67.52 1pwk h THR 69 Cb 2.59 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 68.95 1pwk h THR 69 CO -0.01 0.00 -0.12 1.57 0.37 0.00 0.00 175.52 177.33 1pwk n HIS 70 N -3.72 -0.44 -3.13 3.16 -0.00 -0.43 -0.15 115.22 110.52 1pwk n HIS 70 Ca -0.07 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 57.92 1pwk n HIS 70 Cb 0.22 -1.83 0.05 0.00 -0.12 0.00 0.00 29.99 28.30 1pwk n HIS 70 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1pwk n GLU 71 N -1.10 -5.20 0.00 1.57 4.71 -1.26 -5.01 120.64 114.36 1pwk n GLU 71 Ca -0.07 0.70 0.00 0.00 -0.01 0.00 0.00 57.16 57.78 1pwk n GLU 71 Cb 0.27 -5.22 0.00 0.00 -1.01 0.00 0.00 31.44 25.48 1pwk n GLU 71 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 1pwk n THR 72 N -4.40 0.00 0.00 2.62 5.66 0.79 -5.09 114.28 113.87 1pwk n THR 72 Ca -0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 1pwk n THR 72 Cb 0.57 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.35 1pwk n THR 72 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1pwk n LYS 73 N 0.00 0.00 -4.03 1.09 0.00 -1.26 -5.06 118.16 108.90 1pwk n LYS 73 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 58.31 58.05 1pwk n LYS 73 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 34.98 1pwk n LYS 73 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.40 174.02 1pwk s HIS 74 N -0.85 3.26 0.00 5.64 -3.43 -1.26 -4.98 115.29 113.67 1pwk s HIS 74 Ca 0.00 0.03 0.00 0.00 -0.80 0.00 0.00 55.06 54.29 1pwk s HIS 74 Cb 0.00 -1.57 0.00 0.00 -1.43 0.00 0.00 32.58 29.58 1pwk s HIS 74 CO 0.00 0.52 0.00 1.97 -2.00 0.00 0.00 174.74 175.23 1pwk n PHE 75 N -0.37 0.00 -3.93 0.38 1.16 -1.23 -4.15 117.46 109.32 1pwk n PHE 75 Ca -0.08 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.41 1pwk n PHE 75 Cb 0.54 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.33 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 -2.00 0.15 -0.29 1.97 2.07 0.12 -0.43 121.20 122.79 1pwk s ILE 76 Ca 0.00 -1.22 -0.16 0.00 -1.41 0.00 0.00 60.65 57.86 1pwk s ILE 76 Cb 0.00 -1.13 0.13 0.00 0.13 0.00 0.00 42.46 41.58 1pwk s ILE 76 CO 0.00 -0.67 0.88 -0.72 -1.91 0.00 0.00 174.94 172.51 1pwk s TYR 77 N -3.20 -0.76 0.17 3.50 1.13 -0.87 0.25 117.35 117.56 1pwk s TYR 77 Ca -0.00 1.49 -0.01 0.00 -1.41 0.00 0.00 57.07 57.14 1pwk s TYR 77 Cb 0.02 0.46 -0.04 0.00 -1.10 0.00 0.00 41.96 41.30 1pwk s TYR 77 CO -0.07 -0.38 0.10 -0.59 -2.51 0.00 0.00 175.55 172.10 1pwk s PHE 78 N 1.60 1.00 0.17 -3.49 -0.12 0.41 -2.16 117.98 115.38 1pwk s PHE 78 Ca -0.09 -1.30 0.11 0.00 -0.05 0.00 0.00 56.93 55.61 1pwk s PHE 78 Cb -0.05 -0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 41.79 1pwk s PHE 78 CO -0.17 -0.58 -0.24 0.71 -0.05 0.00 0.00 175.22 174.89 1pwk s TYR 79 N -4.10 2.34 -0.50 3.49 1.51 0.19 -0.11 117.35 120.17 1pwk s TYR 79 Ca 0.31 -0.35 0.04 0.00 -1.01 0.00 0.00 57.07 56.06 1pwk s TYR 79 Cb 0.07 -1.20 0.16 0.00 -0.11 0.00 0.00 41.96 40.88 1pwk s TYR 79 CO 0.07 0.44 0.35 -0.51 -1.11 0.00 0.00 175.55 174.79 1pwk s LEU 80 N -2.45 2.63 0.00 -1.29 1.02 0.11 -0.70 118.68 118.01 1pwk s LEU 80 Ca 0.19 -3.12 0.00 0.00 0.02 0.00 0.00 54.13 51.22 1pwk s LEU 80 Cb -0.09 -0.91 0.00 0.00 0.02 0.00 0.00 46.19 45.21 1pwk s LEU 80 CO 0.09 -0.18 0.00 0.61 0.02 0.00 0.00 176.35 176.89 1pwk n GLY 81 N 2.86 1.42 0.00 -3.19 0.00 0.36 -2.20 105.19 104.44 1pwk n GLY 81 Ca 0.21 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1pwk n GLY 81 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pwk n GLN 82 N 0.00 2.24 -2.63 1.61 3.00 -1.26 -5.03 117.38 115.31 1pwk n GLN 82 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.72 1pwk n GLN 82 Cb 0.00 -0.80 0.01 0.00 0.00 0.00 0.00 30.24 29.45 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 -1.26 4.63 -0.23 5.09 1.01 -0.93 -4.13 120.40 124.57 1pwk s VAL 83 Ca 0.00 0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.06 1pwk s VAL 83 Cb 0.00 -3.77 0.11 0.00 0.00 0.00 0.00 36.38 32.73 1pwk s VAL 83 CO 0.00 -0.74 0.28 0.00 0.00 0.00 0.00 175.10 174.64 1pwk s ALA 84 N -2.77 -0.53 -0.16 5.51 0.00 0.28 0.10 121.76 124.19 1pwk s ALA 84 Ca 0.48 0.30 -0.13 0.00 0.00 0.00 0.00 51.96 52.61 1pwk s ALA 84 Cb -0.10 -1.52 -0.05 0.00 0.00 0.00 0.00 23.12 21.45 1pwk s ALA 84 CO 0.44 -1.34 0.27 0.42 0.00 0.00 0.00 175.76 175.56 1pwk s ILE 85 N 2.39 5.31 -0.22 0.00 1.01 0.84 -1.08 121.20 129.46 1pwk s ILE 85 Ca 0.09 0.51 0.01 0.00 0.00 0.00 0.00 60.65 61.26 1pwk s ILE 85 Cb -0.15 -3.61 0.05 0.00 0.01 0.00 0.00 42.46 38.76 1pwk s ILE 85 CO -0.18 0.41 -0.08 -0.76 0.00 0.00 0.00 174.94 174.33 1pwk s LEU 86 N 0.35 2.52 -0.11 2.97 1.02 0.35 -0.44 118.68 125.33 1pwk s LEU 86 Ca 0.16 -1.06 -0.04 0.00 0.02 0.00 0.00 54.13 53.21 1pwk s LEU 86 Cb -0.13 -1.24 -0.04 0.00 0.02 0.00 0.00 46.19 44.80 1pwk s LEU 86 CO 0.04 -0.19 0.03 -0.22 0.02 0.00 0.00 176.35 176.03 1pwk s LEU 87 N 1.36 3.75 -0.28 1.79 0.20 0.14 -0.08 118.68 125.57 1pwk s LEU 87 Ca -0.04 0.19 -0.27 0.00 0.69 0.00 0.00 54.13 54.70 1pwk s LEU 87 Cb -0.18 -1.88 0.18 0.00 -0.43 0.00 0.00 46.19 43.88 1pwk s LEU 87 CO -0.07 0.35 1.33 0.72 -0.29 0.00 0.00 176.35 178.39 1pwk s PHE 88 N -0.70 -0.11 -0.09 5.38 -0.71 -1.26 0.10 117.98 120.59 1pwk s PHE 88 Ca 0.12 0.24 0.04 0.00 -1.04 0.00 0.00 56.93 56.28 1pwk s PHE 88 Cb -0.12 0.48 -0.01 0.00 -1.21 0.00 0.00 43.02 42.16 1pwk s PHE 88 CO 0.02 -0.08 -0.21 0.21 -1.34 0.00 0.00 175.22 173.83 1pwk s LYS 89 N -0.50 2.89 -0.16 1.99 2.20 -1.26 -0.55 119.74 124.35 1pwk s LYS 89 Ca 0.07 -0.82 0.07 0.00 -0.36 0.00 0.00 55.97 54.92 1pwk s LYS 89 Cb -0.03 -2.34 0.46 0.00 -1.51 0.00 0.00 37.83 34.42 1pwk s LYS 89 CO -0.10 0.31 1.27 0.43 -0.36 0.00 0.00 175.35 176.90 1pwk n SER 90 N 3.18 3.69 0.00 1.43 7.64 -1.26 -4.54 113.62 123.76 1pwk n SER 90 Ca -0.18 -2.60 0.00 0.00 1.01 0.00 0.00 58.87 57.10 1pwk n SER 90 Cb 0.52 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 1pwk n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64