#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 6.09 -1.02 7.83 7.64 -1.26 -4.61 113.62 128.29 1pwk n SER 2 Ca 0.00 -3.61 0.05 0.00 1.01 0.00 0.00 58.87 56.31 1pwk n SER 2 Cb 0.00 -0.98 0.08 0.00 -1.01 0.00 0.00 64.21 62.30 1pwk n SER 2 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1pwk n ASP 3 N 0.26 1.18 -2.32 6.43 8.00 -1.26 -4.97 116.55 123.87 1pwk n ASP 3 Ca 0.37 -2.63 -0.16 0.00 0.71 0.00 0.00 54.79 53.08 1pwk n ASP 3 Cb 0.32 -0.36 -0.01 0.00 -0.02 0.00 0.00 41.12 41.04 1pwk n ASP 3 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1pwk n ARG 4 N -0.16 -1.91 0.00 -1.24 1.74 -1.26 -0.65 116.66 113.18 1pwk n ARG 4 Ca 0.10 0.81 0.00 0.00 -0.77 0.00 0.00 57.85 57.99 1pwk n ARG 4 Cb 0.93 -5.41 0.00 0.00 -1.02 0.00 0.00 32.46 26.96 1pwk n ARG 4 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1pwk n LYS 5 N -2.81 0.00 -1.86 5.56 3.00 -1.26 -3.41 118.16 117.37 1pwk n LYS 5 Ca -0.19 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 57.90 1pwk n LYS 5 Cb 0.64 -1.11 -0.07 0.00 0.00 0.00 0.00 35.03 34.49 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 -1.00 1.26 0.08 3.14 0.00 0.18 -3.69 121.76 121.73 1pwk s ALA 6 Ca 0.00 -1.43 -0.09 0.00 0.00 0.00 0.00 51.96 50.44 1pwk s ALA 6 Cb 0.00 -4.60 0.00 0.00 0.00 0.00 0.00 23.12 18.52 1pwk s ALA 6 CO 0.00 -5.48 0.20 0.08 0.00 0.00 0.00 175.76 170.56 1pwk s VAL 7 N 12.48 0.14 0.71 0.00 1.01 0.99 -4.83 120.40 130.90 1pwk s VAL 7 Ca 0.77 -1.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 1pwk s VAL 7 Cb -0.07 -1.28 0.02 0.00 0.00 0.00 0.00 36.38 35.05 1pwk s VAL 7 CO 0.07 -0.62 1.07 -0.63 0.00 0.00 0.00 175.10 174.99 1pwk s ILE 8 N -3.68 3.78 -0.02 2.22 1.01 -1.26 0.12 121.20 123.37 1pwk s ILE 8 Ca 0.03 0.60 -0.05 0.00 0.00 0.00 0.00 60.65 61.23 1pwk s ILE 8 Cb 0.04 -3.25 -0.02 0.00 0.01 0.00 0.00 42.46 39.24 1pwk s ILE 8 CO -0.10 -0.73 -0.11 1.17 0.00 0.00 0.00 174.94 175.16 1pwk n LYS 9 N -3.15 0.18 -3.58 2.79 4.81 0.66 -4.70 118.16 115.16 1pwk n LYS 9 Ca 0.08 0.07 -0.07 0.00 -0.87 0.00 0.00 58.31 57.52 1pwk n LYS 9 Cb 0.53 -0.81 -0.04 0.00 0.02 0.00 0.00 35.03 34.74 1pwk n LYS 9 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1pwk s ASN 10 N -5.93 -0.26 0.15 3.14 2.47 -0.94 -5.04 114.94 108.54 1pwk s ASN 10 Ca -0.10 0.16 -0.10 0.00 0.42 0.00 0.00 52.86 53.24 1pwk s ASN 10 Cb 0.02 0.24 -0.00 0.00 -1.45 0.00 0.00 41.25 40.06 1pwk s ASN 10 CO 0.14 -0.32 0.30 0.00 -3.72 0.00 0.00 177.10 173.50 1pwk s ALA 11 N -1.84 -0.17 -0.28 1.71 0.00 -1.26 -1.43 121.76 118.49 1pwk s ALA 11 Ca 0.04 -0.74 0.09 0.00 0.00 0.00 0.00 51.96 51.36 1pwk s ALA 11 Cb -0.01 0.79 0.47 0.00 0.00 0.00 0.00 23.12 24.37 1pwk s ALA 11 CO -0.04 -0.64 1.18 -3.47 0.00 0.00 0.00 175.76 172.79 1pwk n ASP 12 N -0.20 4.41 -2.16 0.00 2.03 -0.78 -5.03 116.55 114.82 1pwk n ASP 12 Ca -0.09 -3.51 -0.04 0.00 0.52 0.00 0.00 54.79 51.67 1pwk n ASP 12 Cb 0.63 -0.36 -0.01 0.00 -0.72 0.00 0.00 41.12 40.66 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 -0.70 1.50 0.00 -0.67 2.81 -1.26 -4.62 117.12 114.17 1pwk n MET 13 Ca 0.38 -0.49 0.13 0.00 -1.81 0.00 0.00 57.70 55.91 1pwk n MET 13 Cb 0.94 0.18 0.75 0.00 -0.71 0.00 0.00 33.22 34.38 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 -1.38 0.00 0.00 7.83 7.64 -1.26 -4.86 113.62 121.59 1pwk n SER 14 Ca -0.02 -0.86 0.00 0.00 1.01 0.00 0.00 58.87 59.00 1pwk n SER 14 Cb 0.09 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 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 -0.98 0.00 0.19 1.43 1.02 -1.26 -4.81 120.64 116.23 1pwk n GLU 15 Ca 0.19 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.47 1pwk n GLU 15 Cb 0.09 -0.20 0.60 0.00 -0.02 0.00 0.00 31.44 31.91 1pwk n GLU 15 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1pwk h ASP 16 N 0.00 0.00 0.04 1.62 5.19 -1.98 -0.63 116.42 120.65 1pwk h ASP 16 Ca 0.00 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.13 1pwk h ASP 16 Cb 0.00 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 1pwk h ASP 16 CO 0.00 0.00 -1.55 0.23 -3.12 0.00 0.00 179.24 174.80 1pwk n MET 17 N -2.57 0.62 0.27 3.56 2.81 -1.26 -1.81 117.12 118.74 1pwk n MET 17 Ca 0.01 0.47 0.18 0.00 -1.81 0.00 0.00 57.70 56.55 1pwk n MET 17 Cb 0.24 -1.72 0.90 0.00 -0.71 0.00 0.00 33.22 31.93 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 -0.69 0.00 0.00 0.03 3.07 -1.94 1.65 115.11 117.23 1pwk h GLN 18 Ca -0.39 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.33 1pwk h GLN 18 Cb 1.53 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 29.09 1pwk h GLN 18 CO -0.14 0.00 -0.10 0.37 0.09 0.00 0.00 178.83 179.05 1pwk h GLN 19 N 0.00 0.00 0.00 0.06 5.75 -1.18 -2.29 115.11 117.45 1pwk h GLN 19 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1pwk h GLN 19 Cb 0.14 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.69 1pwk h GLN 19 CO 0.00 0.58 0.00 0.38 -2.65 0.00 0.00 178.83 177.14 1pwk h ASP 20 N -1.00 0.00 -0.03 -0.69 3.04 -0.77 -1.80 116.42 115.17 1pwk h ASP 20 Ca -0.02 0.00 -0.04 0.00 -3.24 0.00 0.00 57.03 53.73 1pwk h ASP 20 Cb 0.62 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.91 1pwk h ASP 20 CO -0.01 0.00 -0.13 0.00 -2.04 0.00 0.00 179.24 177.06 1pwk h ALA 21 N 2.14 0.05 0.00 4.15 0.00 0.23 0.26 119.26 126.09 1pwk h ALA 21 Ca 0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 1pwk h ALA 21 Cb 0.48 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1pwk h ALA 21 CO 0.00 -0.03 -0.21 0.28 0.00 0.00 0.00 179.25 179.29 1pwk h VAL 22 N -0.47 1.08 0.21 0.00 2.07 -1.12 0.47 116.25 118.49 1pwk h VAL 22 Ca -0.01 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 1pwk h VAL 22 Cb 0.79 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1pwk h VAL 22 CO 0.03 0.21 -0.10 0.44 0.02 0.00 0.00 177.57 178.17 1pwk h ASP 23 N 0.00 -0.23 0.00 0.57 3.32 -1.24 0.24 116.42 119.08 1pwk h ASP 23 Ca -0.00 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1pwk h ASP 23 Cb 0.40 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1pwk h ASP 23 CO 0.03 0.29 0.14 0.00 -1.72 0.00 0.00 179.24 177.97 1pwk h ALA 25 N 1.69 0.35 -0.10 0.00 0.00 -0.75 -1.19 119.26 119.26 1pwk h ALA 25 Ca 0.00 -1.20 -0.06 0.00 0.00 0.00 0.00 54.91 53.65 1pwk h ALA 25 Cb 0.27 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1pwk h ALA 25 CO 0.00 1.21 -0.19 1.15 0.00 0.00 0.00 179.25 181.42 1pwk h THR 26 N 0.06 1.39 -0.09 0.00 2.02 0.33 -1.28 112.91 115.34 1pwk h THR 26 Ca -0.28 -1.47 -0.16 0.00 0.77 0.00 0.00 66.41 65.27 1pwk h THR 26 Cb 2.02 2.12 -0.01 0.00 -1.74 0.00 0.00 68.15 70.54 1pwk h THR 26 CO 0.14 0.42 -0.63 0.06 0.37 0.00 0.00 175.52 175.88 1pwk h GLN 27 N -0.15 0.33 -0.30 6.66 3.07 -0.52 -1.03 115.11 123.17 1pwk h GLN 27 Ca 0.00 -0.24 -0.04 0.00 0.09 0.00 0.00 58.65 58.47 1pwk h GLN 27 Cb 0.77 0.04 -0.02 0.00 0.08 0.00 0.00 27.48 28.35 1pwk h GLN 27 CO 0.04 0.86 0.03 0.00 0.09 0.00 0.00 178.83 179.84 1pwk h ALA 28 N 1.09 1.48 0.00 0.06 0.00 -1.18 0.95 119.26 121.66 1pwk h ALA 28 Ca -0.01 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 1pwk h ALA 28 Cb 1.16 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1pwk h ALA 28 CO 0.10 0.37 -0.70 1.98 0.00 0.00 0.00 179.25 181.01 1pwk h MET 29 N 0.44 0.00 0.21 0.00 1.85 -0.90 0.82 114.93 117.35 1pwk h MET 29 Ca 0.10 0.00 -0.30 0.00 -0.61 0.00 0.00 59.70 58.89 1pwk h MET 29 Cb 0.25 0.00 0.03 0.00 0.43 0.00 0.00 31.60 32.31 1pwk h MET 29 CO 0.00 0.70 -1.37 1.49 -0.40 0.00 0.00 176.91 177.34 1pwk h GLU 30 N 0.00 0.44 0.03 0.39 4.81 -0.17 -3.34 114.58 116.74 1pwk h GLU 30 Ca -0.01 -0.75 -0.25 0.00 -0.13 0.00 0.00 59.36 58.22 1pwk h GLU 30 Cb 1.48 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 -1.30 0.87 -0.73 0.00 0.00 179.01 179.30 1pwk h LYS 31 N -0.02 0.07 -4.97 1.92 1.79 0.84 -3.45 116.57 112.75 1pwk h LYS 31 Ca -0.25 -0.12 -0.48 0.00 -2.18 0.00 0.00 60.65 57.61 1pwk h LYS 31 Cb 2.00 0.05 -0.31 0.00 -1.58 0.00 0.00 32.23 32.39 1pwk h LYS 31 CO 0.21 0.92 -0.81 0.71 -1.08 0.00 0.00 179.45 179.41 1pwk s TYR 32 N -2.66 1.26 -0.64 -1.35 1.51 0.28 -5.02 117.35 110.74 1pwk s TYR 32 Ca -0.03 -0.32 0.09 0.00 -1.01 0.00 0.00 57.07 55.81 1pwk s TYR 32 Cb 0.09 -0.86 0.26 0.00 -0.11 0.00 0.00 41.96 41.34 1pwk s TYR 32 CO 0.83 -0.10 1.21 0.09 -1.11 0.00 0.00 175.55 176.47 1pwk n ASN 33 N 3.12 2.79 -2.09 2.29 5.03 -1.26 -3.23 115.26 121.93 1pwk n ASN 33 Ca -0.17 -2.11 0.00 0.00 0.87 0.00 0.00 54.58 53.16 1pwk n ASN 33 Cb 0.54 -0.21 0.00 0.00 -1.02 0.00 0.00 39.78 39.09 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 0.16 0.00 0.00 2.41 5.41 -1.26 -5.04 119.36 121.04 1pwk n ILE 34 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.85 1pwk n ILE 34 Cb 0.43 -1.82 0.00 0.00 -0.71 0.00 0.00 39.64 37.54 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 -0.82 3.03 0.04 0.38 1.02 -1.26 -4.38 120.64 118.65 1pwk n GLU 35 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.25 1pwk n GLU 35 Cb 0.00 -0.95 0.01 0.00 -0.02 0.00 0.00 31.44 30.47 1pwk n GLU 35 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1pwk n LYS 36 N -1.76 0.41 0.01 3.49 4.81 -1.26 -3.56 118.16 120.30 1pwk n LYS 36 Ca 0.00 0.01 -0.03 0.00 -0.87 0.00 0.00 58.31 57.42 1pwk n LYS 36 Cb 0.36 -1.65 -0.11 0.00 0.02 0.00 0.00 35.03 33.66 1pwk n LYS 36 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1pwk n ASP 37 N -2.18 0.81 0.05 3.14 -0.08 -1.26 -1.58 116.55 115.45 1pwk n ASP 37 Ca 0.01 0.37 -0.06 0.00 -1.51 0.00 0.00 54.79 53.59 1pwk n ASP 37 Cb 0.48 0.15 0.12 0.00 2.34 0.00 0.00 41.12 44.21 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 1.34 0.00 5.18 1.08 -1.77 1.50 117.51 124.84 1pwk h ILE 38 Ca -0.22 -1.79 -0.15 0.00 -0.39 0.00 0.00 64.86 62.31 1pwk h ILE 38 Cb 1.76 1.82 -0.02 0.00 -3.07 0.00 0.00 36.82 37.30 1pwk h ILE 38 CO 0.06 0.54 -1.01 0.00 -0.69 0.00 0.00 178.15 177.05 1pwk h ALA 39 N 1.14 0.63 0.00 1.87 0.00 -1.66 -1.93 119.26 119.31 1pwk h ALA 39 Ca 0.01 -0.72 -0.07 0.00 0.00 0.00 0.00 54.91 54.13 1pwk h ALA 39 Cb 1.03 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1pwk h ALA 39 CO 0.09 0.87 -0.94 0.00 0.00 0.00 0.00 179.25 179.27 1pwk h ALA 40 N 1.39 0.64 0.05 0.00 0.00 -1.01 -1.59 119.26 118.73 1pwk h ALA 40 Ca -0.09 -0.33 -0.30 0.00 0.00 0.00 0.00 54.91 54.19 1pwk h ALA 40 Cb 1.54 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.38 1pwk h ALA 40 CO 0.07 0.37 -1.66 -0.92 0.00 0.00 0.00 179.25 177.11 1pwk h TYR 41 N 0.00 0.21 0.14 0.00 3.20 0.21 -1.21 116.97 119.51 1pwk h TYR 41 Ca -0.05 -0.15 -0.28 0.00 3.14 0.00 0.00 58.73 61.39 1pwk h TYR 41 Cb 1.24 -0.01 0.01 0.00 1.54 0.00 0.00 36.73 39.51 1pwk h TYR 41 CO 0.00 1.25 -1.25 0.82 -1.64 0.00 0.00 178.16 177.34 1pwk h ILE 42 N 0.03 1.43 -0.06 1.81 2.04 -1.46 0.38 117.51 121.69 1pwk h ILE 42 Ca -0.28 -2.88 -0.19 0.00 1.00 0.00 0.00 64.86 62.51 1pwk h ILE 42 Cb 2.00 2.88 -0.01 0.00 -0.74 0.00 0.00 36.82 40.95 1pwk h ILE 42 CO 0.11 0.85 -0.76 0.50 0.00 0.00 0.00 178.15 178.85 1pwk h LYS 43 N 0.12 0.36 0.00 2.37 3.64 -1.41 -2.17 116.57 119.49 1pwk h LYS 43 Ca -0.15 -0.31 -0.14 0.00 -1.27 0.00 0.00 60.65 58.78 1pwk h LYS 43 Cb 1.96 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.83 1pwk h LYS 43 CO 0.21 0.96 -0.67 -0.22 -2.27 0.00 0.00 179.45 177.46 1pwk h LYS 44 N 0.24 0.00 -0.38 1.90 3.64 -1.22 -1.98 116.57 118.77 1pwk h LYS 44 Ca -0.03 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.22 1pwk h LYS 44 Cb 1.34 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.15 1pwk h LYS 44 CO 0.13 0.67 -0.26 1.49 -2.27 0.00 0.00 179.45 179.21 1pwk h GLU 45 N 0.00 0.78 0.08 1.90 4.57 0.00 -1.33 114.58 120.59 1pwk h GLU 45 Ca -0.01 -0.33 -0.21 0.00 -1.18 0.00 0.00 59.36 57.63 1pwk h GLU 45 Cb 1.47 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 30.03 1pwk h GLU 45 CO 0.09 0.95 -1.05 0.74 -1.18 0.00 0.00 179.01 178.56 1pwk h PHE 46 N 0.67 0.31 0.00 0.92 -1.00 -1.41 -3.26 116.94 113.18 1pwk h PHE 46 Ca 0.09 -0.23 -0.02 0.00 2.81 0.00 0.00 57.97 60.61 1pwk h PHE 46 Cb 0.78 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 40.33 1pwk h PHE 46 CO 0.04 1.41 -0.11 0.38 -1.61 0.00 0.00 178.31 178.42 1pwk h ASP 47 N -0.55 0.00 0.51 2.17 3.04 -1.44 0.69 116.42 120.84 1pwk h ASP 47 Ca -0.23 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.56 1pwk h ASP 47 Cb 1.54 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.83 1pwk h ASP 47 CO 0.02 0.11 -0.20 1.17 -2.04 0.00 0.00 179.24 178.30 1pwk n LYS 48 N -3.46 0.39 -2.72 4.15 4.81 -0.50 -3.99 118.16 116.85 1pwk n LYS 48 Ca -0.01 -0.16 -0.08 0.00 -0.87 0.00 0.00 58.31 57.19 1pwk n LYS 48 Cb 0.27 -1.50 0.11 0.00 0.02 0.00 0.00 35.03 33.93 1pwk n LYS 48 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1pwk n LYS 49 N -1.17 1.12 0.00 1.64 4.81 -0.65 -4.95 118.16 118.96 1pwk n LYS 49 Ca 0.10 -1.89 0.00 0.00 -0.87 0.00 0.00 58.31 55.66 1pwk n LYS 49 Cb 0.31 -0.48 0.00 0.00 0.02 0.00 0.00 35.03 34.88 1pwk n LYS 49 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1pwk n TYR 50 N -0.18 0.00 0.00 5.64 4.19 0.14 -4.87 117.16 122.09 1pwk n TYR 50 Ca 0.01 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.22 1pwk n TYR 50 Cb 0.78 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.61 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 -0.88 0.00 -4.77 2.98 5.03 -1.21 -5.02 115.26 111.39 1pwk n ASN 51 Ca 0.00 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 55.05 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 -2.16 -1.83 0.00 0.00 177.26 173.27 1pwk s PRO 52 N -4.97 3.76 0.02 3.52 0.04 -1.26 -4.61 135.00 131.50 1pwk s PRO 52 Ca 0.00 2.42 -0.07 0.00 0.04 0.00 0.00 61.00 63.39 1pwk s PRO 52 Cb 0.00 -2.70 -0.00 0.00 0.04 0.00 0.00 34.50 31.83 1pwk s PRO 52 CO 0.00 -0.76 0.12 0.99 0.04 0.00 0.00 177.00 177.39 1pwk s THR 53 N -1.20 0.11 0.01 1.26 2.01 -1.13 -4.94 115.64 111.76 1pwk s THR 53 Ca 0.60 -0.87 -0.02 0.00 0.31 0.00 0.00 61.69 61.70 1pwk s THR 53 Cb -0.44 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 1pwk s THR 53 CO 0.57 -0.48 0.18 0.26 -0.69 0.00 0.00 174.62 174.46 1pwk s TRP 54 N -1.99 3.53 -0.80 4.92 0.52 -1.26 -4.22 118.94 119.63 1pwk s TRP 54 Ca -0.10 0.33 -0.00 0.00 0.02 0.00 0.00 56.10 56.35 1pwk s TRP 54 Cb -0.04 -1.81 0.35 0.00 -1.15 0.00 0.00 33.47 30.82 1pwk s TRP 54 CO -0.01 0.63 1.75 0.72 0.02 0.00 0.00 176.95 180.06 1pwk n HIS 55 N 0.82 3.08 -1.78 -1.98 8.25 0.23 -4.89 115.22 118.95 1pwk n HIS 55 Ca -0.10 -2.63 -0.42 0.00 -0.26 0.00 0.00 57.72 54.31 1pwk n HIS 55 Cb 0.52 -0.95 -0.03 0.00 1.12 0.00 0.00 29.99 30.65 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 3.82 2.05 -0.03 0.00 1.01 0.16 -4.80 121.20 123.41 1pwk s ILE 57 Ca 0.82 -2.28 -0.02 0.00 0.00 0.00 0.00 60.65 59.17 1pwk s ILE 57 Cb -0.41 -2.23 0.01 0.00 0.01 0.00 0.00 42.46 39.85 1pwk s ILE 57 CO 0.37 -0.46 0.07 -0.69 0.00 0.00 0.00 174.94 174.22 1pwk s VAL 58 N -2.77 -0.01 0.05 2.92 1.01 -1.26 -0.51 120.40 119.83 1pwk s VAL 58 Ca 0.27 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 62.22 1pwk s VAL 58 Cb -0.02 -0.10 0.02 0.00 0.00 0.00 0.00 36.38 36.28 1pwk s VAL 58 CO 0.11 0.01 0.26 0.61 0.00 0.00 0.00 175.10 176.09 1pwk n GLY 59 N 3.19 1.21 2.77 4.51 0.00 -0.38 -5.00 105.19 111.50 1pwk n GLY 59 Ca -0.14 -0.99 -0.37 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.18 3.86 -4.13 1.61 1.74 -1.26 -0.08 116.66 118.21 1pwk n ARG 60 Ca -0.01 -4.62 -0.31 0.00 -0.77 0.00 0.00 57.85 52.14 1pwk n ARG 60 Cb 0.15 -2.41 -0.04 0.00 -1.02 0.00 0.00 32.46 29.14 1pwk n ARG 60 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1pwk n SER 61 N 0.97 -1.22 -0.03 0.55 7.64 -1.26 -4.81 113.62 115.45 1pwk n SER 61 Ca 0.29 -1.06 0.11 0.00 1.01 0.00 0.00 58.87 59.22 1pwk n SER 61 Cb 0.35 -2.66 0.63 0.00 -1.01 0.00 0.00 64.21 61.53 1pwk n SER 61 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pwk n GLY 62 N -1.84 -0.93 3.19 0.23 0.00 -1.26 -4.91 105.19 99.67 1pwk n GLY 62 Ca -0.16 -0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.77 -5.75 -0.62 1.61 4.05 -1.26 -4.94 115.26 107.57 1pwk n ASN 63 Ca 0.16 -0.66 0.07 0.00 0.45 0.00 0.00 54.58 54.60 1pwk n ASN 63 Cb 0.09 -4.98 0.18 0.00 1.23 0.00 0.00 39.78 36.30 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 -3.27 0.56 -0.41 1.20 1.16 -1.26 -4.51 117.46 110.93 1pwk n PHE 64 Ca -0.10 -0.69 0.05 0.00 -1.87 0.00 0.00 57.45 54.84 1pwk n PHE 64 Cb 0.62 -0.15 0.11 0.00 -1.61 0.00 0.00 39.48 38.45 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 -0.17 3.47 1.05 4.97 0.00 -1.26 -4.33 105.19 108.92 1pwk n GLY 65 Ca 0.14 -0.48 -0.02 0.00 0.00 0.00 0.00 46.02 45.67 1pwk n GLY 65 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pwk n SER 66 N -0.42 2.40 0.00 1.61 7.64 -1.26 -4.64 113.62 118.94 1pwk n SER 66 Ca 0.09 -3.76 0.00 0.00 1.01 0.00 0.00 58.87 56.21 1pwk n SER 66 Cb 0.47 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 1pwk n SER 66 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pwk n TYR 67 N -1.11 0.00 0.45 1.43 4.19 -1.26 -4.90 117.16 115.96 1pwk n TYR 67 Ca 0.30 0.00 0.06 0.00 3.31 0.00 0.00 57.90 61.57 1pwk n TYR 67 Cb 0.97 0.00 0.27 0.00 0.49 0.00 0.00 39.34 41.07 1pwk n TYR 67 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 1pwk n VAL 68 N -0.70 1.08 0.12 2.97 0.31 -1.26 -3.39 118.33 117.47 1pwk n VAL 68 Ca 0.00 0.27 -0.14 0.00 -0.01 0.00 0.00 64.34 64.46 1pwk n VAL 68 Cb 0.00 -1.06 -0.07 0.00 -0.91 0.00 0.00 33.84 31.80 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 0.00 0.22 -0.57 2.52 2.02 -1.91 -3.45 112.91 111.75 1pwk h THR 69 Ca 0.00 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 1pwk h THR 69 Cb 0.19 0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 66.78 1pwk h THR 69 CO 0.00 0.00 -0.10 1.41 0.37 0.00 0.00 175.52 177.20 1pwk n HIS 70 N -5.45 -0.16 -1.86 3.16 8.25 -1.22 0.04 115.22 117.98 1pwk n HIS 70 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1pwk n HIS 70 Cb 0.36 -1.86 0.00 0.00 1.12 0.00 0.00 29.99 29.61 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 -0.39 0.00 -0.34 -0.41 1.02 -1.26 -4.97 120.64 114.29 1pwk n GLU 71 Ca -0.05 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.23 1pwk n GLU 71 Cb 0.35 -1.90 0.35 0.00 -0.02 0.00 0.00 31.44 30.22 1pwk n GLU 71 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1pwk h THR 72 N 0.00 0.70 0.00 2.62 2.02 -0.72 -3.46 112.91 114.08 1pwk h THR 72 Ca 0.00 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1pwk h THR 72 Cb 0.75 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1pwk h THR 72 CO 0.00 0.13 0.00 1.17 0.37 0.00 0.00 175.52 177.19 1pwk n LYS 73 N -4.73 0.00 -4.40 6.66 3.00 -1.26 -4.61 118.16 112.82 1pwk n LYS 73 Ca 0.23 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.28 1pwk n LYS 73 Cb 0.59 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 35.49 1pwk n LYS 73 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 1pwk s HIS 74 N -0.80 1.99 0.00 5.64 3.76 -1.26 -4.94 115.29 119.68 1pwk s HIS 74 Ca 0.00 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 54.51 1pwk s HIS 74 Cb 0.00 -1.10 0.00 0.00 1.11 0.00 0.00 32.58 32.59 1pwk s HIS 74 CO 0.00 0.23 0.00 1.97 -0.85 0.00 0.00 174.74 176.09 1pwk n PHE 75 N 1.16 0.00 -4.05 1.40 1.16 -1.26 -3.56 117.46 112.31 1pwk n PHE 75 Ca -0.19 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.29 1pwk n PHE 75 Cb 0.53 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.29 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 0.32 -0.06 1.97 1.10 0.17 -1.87 121.20 120.83 1pwk s ILE 76 Ca 0.00 -1.26 -0.02 0.00 -0.51 0.00 0.00 60.65 58.86 1pwk s ILE 76 Cb 0.00 -0.78 0.03 0.00 0.15 0.00 0.00 42.46 41.87 1pwk s ILE 76 CO 0.00 -0.61 0.05 -0.31 -2.11 0.00 0.00 174.94 171.96 1pwk s TYR 77 N -2.18 0.21 -0.04 3.50 1.51 -0.51 -1.96 117.35 117.87 1pwk s TYR 77 Ca -0.06 0.11 -0.03 0.00 -1.01 0.00 0.00 57.07 56.07 1pwk s TYR 77 Cb -0.05 -0.57 0.02 0.00 -0.11 0.00 0.00 41.96 41.25 1pwk s TYR 77 CO -0.03 -0.25 0.10 -0.59 -1.11 0.00 0.00 175.55 173.67 1pwk s PHE 78 N 2.12 -0.11 0.30 2.71 -0.12 -0.68 -0.25 117.98 121.95 1pwk s PHE 78 Ca 0.05 0.30 -0.13 0.00 -0.05 0.00 0.00 56.93 57.10 1pwk s PHE 78 Cb -0.12 -0.03 -0.08 0.00 -0.63 0.00 0.00 43.02 42.15 1pwk s PHE 78 CO -0.04 -0.09 0.67 0.71 -0.05 0.00 0.00 175.22 176.42 1pwk s TYR 79 N 0.49 3.40 -0.49 3.49 2.02 0.33 -1.67 117.35 124.91 1pwk s TYR 79 Ca -0.04 1.08 0.04 0.00 -0.37 0.00 0.00 57.07 57.79 1pwk s TYR 79 Cb -0.05 -2.43 0.17 0.00 -0.40 0.00 0.00 41.96 39.25 1pwk s TYR 79 CO -0.02 0.14 0.39 -0.11 -1.57 0.00 0.00 175.55 174.39 1pwk n LEU 80 N -0.36 0.55 -3.42 -1.29 7.94 0.93 -0.00 117.00 121.35 1pwk n LEU 80 Ca 0.02 -4.63 -0.14 0.00 -1.11 0.00 0.00 56.01 50.16 1pwk n LEU 80 Cb 0.53 0.18 0.01 0.00 0.53 0.00 0.00 43.42 44.67 1pwk n LEU 80 CO 0.43 1.84 0.07 0.61 -1.11 0.00 0.00 177.39 179.23 1pwk n GLY 81 N 2.53 -1.22 3.16 -3.96 0.00 -1.22 -2.08 105.19 102.40 1pwk n GLY 81 Ca 0.27 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.81 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 -2.53 0.00 -3.02 1.61 1.13 -1.26 -4.93 117.38 108.38 1pwk n GLN 82 Ca -0.13 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 54.62 1pwk n GLN 82 Cb 0.59 -0.64 -0.04 0.00 0.11 0.00 0.00 30.24 30.25 1pwk n GLN 82 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1pwk s VAL 83 N -1.27 4.76 -0.22 5.09 1.01 -0.88 -4.07 120.40 124.82 1pwk s VAL 83 Ca 0.00 0.72 0.01 0.00 0.00 0.00 0.00 61.98 62.71 1pwk s VAL 83 Cb 0.00 -3.68 0.05 0.00 0.00 0.00 0.00 36.38 32.75 1pwk s VAL 83 CO 0.00 -0.36 -0.11 0.00 0.00 0.00 0.00 175.10 174.64 1pwk s ALA 84 N -2.18 2.18 0.00 5.51 0.00 0.89 -0.05 121.76 128.11 1pwk s ALA 84 Ca 0.52 -1.37 0.05 0.00 0.00 0.00 0.00 51.96 51.16 1pwk s ALA 84 Cb -0.10 -1.37 -0.03 0.00 0.00 0.00 0.00 23.12 21.62 1pwk s ALA 84 CO 0.25 -0.92 -0.14 0.42 0.00 0.00 0.00 175.76 175.38 1pwk s ILE 85 N 1.31 3.11 0.27 0.00 1.01 -0.67 -1.25 121.20 124.97 1pwk s ILE 85 Ca -0.03 -0.93 0.07 0.00 0.00 0.00 0.00 60.65 59.76 1pwk s ILE 85 Cb -0.17 -2.29 -0.06 0.00 0.01 0.00 0.00 42.46 39.95 1pwk s ILE 85 CO -0.08 0.43 -0.07 -0.76 0.00 0.00 0.00 174.94 174.46 1pwk s LEU 86 N -1.21 2.49 -0.30 2.97 1.43 0.33 -1.69 118.68 122.71 1pwk s LEU 86 Ca 0.14 -1.16 -0.14 0.00 -1.03 0.00 0.00 54.13 51.94 1pwk s LEU 86 Cb -0.11 -0.65 0.16 0.00 0.03 0.00 0.00 46.19 45.63 1pwk s LEU 86 CO 0.04 -0.31 0.95 -0.22 0.23 0.00 0.00 176.35 177.04 1pwk s LEU 87 N -3.42 -0.64 0.34 1.79 0.20 -0.83 0.37 118.68 116.49 1pwk s LEU 87 Ca 0.28 0.88 -0.08 0.00 0.69 0.00 0.00 54.13 55.91 1pwk s LEU 87 Cb 0.03 1.73 0.02 0.00 -0.43 0.00 0.00 46.19 47.54 1pwk s LEU 87 CO 0.11 -0.12 0.56 0.72 -0.29 0.00 0.00 176.35 177.33 1pwk s PHE 88 N 2.49 0.70 -0.30 5.38 -0.12 -1.26 0.44 117.98 125.31 1pwk s PHE 88 Ca -0.03 -1.07 0.00 0.00 -0.05 0.00 0.00 56.93 55.78 1pwk s PHE 88 Cb -0.07 0.20 0.09 0.00 -0.63 0.00 0.00 43.02 42.62 1pwk s PHE 88 CO -0.18 -1.23 0.06 0.21 -0.05 0.00 0.00 175.22 174.04 1pwk s LYS 89 N -3.01 0.99 -0.30 1.99 2.47 -1.23 0.77 119.74 121.42 1pwk s LYS 89 Ca 0.25 -1.21 0.03 0.00 -1.56 0.00 0.00 55.97 53.49 1pwk s LYS 89 Cb -0.02 -2.35 0.47 0.00 -1.46 0.00 0.00 37.83 34.48 1pwk s LYS 89 CO 0.16 -0.91 1.62 -1.13 0.16 0.00 0.00 175.35 175.25 1pwk n SER 90 N 4.70 3.59 0.00 1.43 3.41 -1.26 -4.40 113.62 121.09 1pwk n SER 90 Ca -0.02 -3.08 0.00 0.00 -0.26 0.00 0.00 58.87 55.51 1pwk n SER 90 Cb 0.43 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1pwk n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49