#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 -0.66 -0.60 7.83 1.04 -1.26 -5.09 113.70 114.96 1pwk s SER 2 Ca 0.00 1.12 0.06 0.00 0.48 0.00 0.00 55.95 57.61 1pwk s SER 2 Cb 0.00 1.10 0.29 0.00 0.10 0.00 0.00 66.02 67.51 1pwk s SER 2 CO 0.00 -0.34 0.83 -0.90 0.98 0.00 0.00 173.24 173.81 1pwk n ASP 3 N 2.20 3.93 -3.73 7.02 5.68 -1.26 -4.96 116.55 125.43 1pwk n ASP 3 Ca -0.15 -3.52 -0.42 0.00 -0.50 0.00 0.00 54.79 50.20 1pwk n ASP 3 Cb 0.56 -0.62 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 1pwk n ASP 3 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1pwk n ARG 4 N 0.40 4.10 -0.02 0.11 1.85 -1.26 -4.59 116.66 117.24 1pwk n ARG 4 Ca 0.30 -3.62 -0.12 0.00 -1.00 0.00 0.00 57.85 53.41 1pwk n ARG 4 Cb 0.41 -2.77 -0.07 0.00 -1.05 0.00 0.00 32.46 28.98 1pwk n ARG 4 CO 0.00 0.00 0.00 1.57 -0.01 0.00 0.00 177.63 179.19 1pwk h LYS 5 N 5.26 0.16 -4.95 2.89 5.09 -1.92 -3.40 116.57 119.70 1pwk h LYS 5 Ca 0.49 -0.04 0.00 0.00 0.09 0.00 0.00 60.65 61.19 1pwk h LYS 5 Cb 0.50 -0.02 0.00 0.00 0.10 0.00 0.00 32.23 32.81 1pwk h LYS 5 CO 1.54 0.35 -0.76 0.00 -2.09 0.00 0.00 179.45 178.48 1pwk n ALA 6 N -2.25 -3.32 -2.98 0.07 0.00 -1.26 -4.66 120.51 106.11 1pwk n ALA 6 Ca -0.06 0.62 -0.11 0.00 0.00 0.00 0.00 53.44 53.89 1pwk n ALA 6 Cb 0.16 -1.62 -0.07 0.00 0.00 0.00 0.00 19.45 17.92 1pwk n ALA 6 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pwk s VAL 7 N -1.75 0.08 0.68 0.00 1.01 0.12 -4.81 120.40 115.74 1pwk s VAL 7 Ca 0.06 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.25 1pwk s VAL 7 Cb -0.02 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.33 1pwk s VAL 7 CO 0.70 -0.37 1.06 -0.63 0.00 0.00 0.00 175.10 175.86 1pwk s ILE 8 N -2.93 3.95 0.00 2.22 1.01 -1.26 -0.03 121.20 124.15 1pwk s ILE 8 Ca -0.02 0.68 0.00 0.00 0.00 0.00 0.00 60.65 61.30 1pwk s ILE 8 Cb 0.00 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 39.11 1pwk s ILE 8 CO -0.06 -0.78 0.00 1.17 0.00 0.00 0.00 174.94 175.27 1pwk n LYS 9 N -2.98 0.00 -4.07 2.79 4.81 -0.54 -4.79 118.16 113.38 1pwk n LYS 9 Ca 0.08 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.39 1pwk n LYS 9 Cb 0.53 -0.41 -0.12 0.00 0.02 0.00 0.00 35.03 35.05 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 -4.89 0.78 -0.30 3.14 3.84 -0.53 -5.01 114.94 111.97 1pwk s ASN 10 Ca 0.00 -0.47 -0.13 0.00 0.21 0.00 0.00 52.86 52.47 1pwk s ASN 10 Cb 0.00 0.02 0.17 0.00 -0.55 0.00 0.00 41.25 40.89 1pwk s ASN 10 CO 0.00 -0.16 0.94 0.00 -2.79 0.00 0.00 177.10 175.09 1pwk s ALA 11 N -1.18 -2.77 -0.43 1.71 0.00 -1.26 -0.49 121.76 117.35 1pwk s ALA 11 Ca -0.08 1.93 0.04 0.00 0.00 0.00 0.00 51.96 53.84 1pwk s ALA 11 Cb -0.09 -2.13 0.17 0.00 0.00 0.00 0.00 23.12 21.06 1pwk s ALA 11 CO 0.00 -1.09 0.34 0.34 0.00 0.00 0.00 175.76 175.35 1pwk s ASP 12 N 2.62 1.87 0.14 0.00 -1.08 -1.13 -5.03 116.67 114.06 1pwk s ASP 12 Ca -0.00 -3.03 -0.14 0.00 -0.52 0.00 0.00 52.55 48.85 1pwk s ASP 12 Cb -0.08 -0.53 0.05 0.00 -1.46 0.00 0.00 42.92 40.90 1pwk s ASP 12 CO -0.17 -0.18 0.70 1.15 0.52 0.00 0.00 175.17 177.19 1pwk n MET 13 N 2.91 0.47 0.29 4.34 0.00 -1.26 -3.96 117.12 119.90 1pwk n MET 13 Ca 0.27 -1.06 0.18 0.00 0.00 0.00 0.00 57.70 57.09 1pwk n MET 13 Cb 0.46 1.42 0.89 0.00 0.00 0.00 0.00 33.22 35.99 1pwk n MET 13 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 1pwk h SER 14 N 1.36 0.00 0.00 3.17 0.02 -2.03 -3.45 113.55 112.62 1pwk h SER 14 Ca -0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1pwk h SER 14 Cb 0.83 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.37 1pwk h SER 14 CO 0.25 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.32 1pwk n GLU 15 N -3.18 0.00 0.31 3.45 1.02 -1.26 -4.83 120.64 116.14 1pwk n GLU 15 Ca -0.00 0.00 0.18 0.00 -0.02 0.00 0.00 57.16 57.32 1pwk n GLU 15 Cb 0.34 -0.59 1.00 0.00 -0.02 0.00 0.00 31.44 32.16 1pwk n GLU 15 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 1pwk h ASP 16 N 0.00 0.00 0.40 1.62 2.03 -2.00 -0.72 116.42 117.75 1pwk h ASP 16 Ca 0.00 0.00 -0.31 0.00 -0.73 0.00 0.00 57.03 55.99 1pwk h ASP 16 Cb 0.00 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.48 1pwk h ASP 16 CO 0.00 0.02 -1.67 0.24 -1.03 0.00 0.00 179.24 176.80 1pwk h MET 17 N 0.00 0.18 0.00 4.15 2.86 -1.96 -1.91 114.93 118.25 1pwk h MET 17 Ca -0.00 -0.31 -0.01 0.00 -2.06 0.00 0.00 59.70 57.32 1pwk h MET 17 Cb 0.09 0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.86 1pwk h MET 17 CO 0.00 0.97 -0.05 1.96 1.06 0.00 0.00 176.91 180.86 1pwk h GLN 18 N 0.05 0.00 0.00 1.72 4.20 -1.57 1.66 115.11 121.17 1pwk h GLN 18 Ca -0.29 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.37 1pwk h GLN 18 Cb 2.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.79 1pwk h GLN 18 CO 0.12 0.05 -0.30 0.37 -0.67 0.00 0.00 178.83 178.40 1pwk h GLN 19 N 0.00 0.00 0.00 1.46 4.15 -1.27 -2.26 115.11 117.19 1pwk h GLN 19 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1pwk h GLN 19 Cb 0.17 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.86 1pwk h GLN 19 CO 0.01 0.68 0.00 0.22 -1.93 0.00 0.00 178.83 177.81 1pwk h ASP 20 N -1.00 0.00 0.07 -0.69 3.58 -0.88 -1.61 116.42 115.90 1pwk h ASP 20 Ca -0.07 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.21 1pwk h ASP 20 Cb 0.79 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.84 1pwk h ASP 20 CO -0.04 0.00 -0.87 0.00 -2.88 0.00 0.00 179.24 175.45 1pwk h ALA 21 N 2.09 0.07 -0.05 -0.78 0.00 0.24 0.11 119.26 120.94 1pwk h ALA 21 Ca 0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 54.91 54.02 1pwk h ALA 21 Cb 0.28 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1pwk h ALA 21 CO 0.00 0.47 -0.17 0.28 0.00 0.00 0.00 179.25 179.84 1pwk h VAL 22 N -0.61 1.15 0.16 0.00 2.07 -1.07 0.87 116.25 118.82 1pwk h VAL 22 Ca -0.19 -0.69 -0.36 0.00 0.82 0.00 0.00 66.70 66.28 1pwk h VAL 22 Cb 1.46 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 32.53 1pwk h VAL 22 CO 0.03 0.20 -1.86 -2.24 0.02 0.00 0.00 177.57 173.72 1pwk h ASP 23 N 0.08 0.51 0.70 0.57 3.04 -1.40 -1.78 116.42 118.14 1pwk h ASP 23 Ca 0.01 -0.92 0.00 0.00 -3.24 0.00 0.00 57.03 52.89 1pwk h ASP 23 Cb 0.34 -0.17 0.00 0.00 -1.04 0.00 0.00 39.33 38.47 1pwk h ASP 23 CO 0.02 1.80 0.00 0.00 -2.04 0.00 0.00 179.24 179.02 1pwk h ALA 25 N 2.17 0.23 -0.32 0.00 0.00 0.76 -1.08 119.26 121.01 1pwk h ALA 25 Ca 0.00 -1.20 -0.12 0.00 0.00 0.00 0.00 54.91 53.59 1pwk h ALA 25 Cb 0.35 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1pwk h ALA 25 CO 0.00 1.05 -0.28 1.15 0.00 0.00 0.00 179.25 181.17 1pwk h THR 26 N -0.01 1.29 -0.16 0.00 2.02 -0.78 -0.38 112.91 114.89 1pwk h THR 26 Ca -0.36 -1.44 -0.18 0.00 0.77 0.00 0.00 66.41 65.19 1pwk h THR 26 Cb 2.00 1.49 -0.00 0.00 -1.74 0.00 0.00 68.15 69.90 1pwk h THR 26 CO 0.12 0.47 -0.66 1.56 0.37 0.00 0.00 175.52 177.39 1pwk h GLN 27 N 0.53 0.60 -0.82 6.66 7.50 -0.54 0.84 115.11 129.88 1pwk h GLN 27 Ca 0.06 -0.43 -0.00 0.00 0.50 0.00 0.00 58.65 58.77 1pwk h GLN 27 Cb 0.85 0.07 -0.04 0.00 0.05 0.00 0.00 27.48 28.42 1pwk h GLN 27 CO 0.07 1.05 0.51 0.00 -1.50 0.00 0.00 178.83 178.97 1pwk h ALA 28 N 0.84 1.05 0.00 3.87 0.00 -1.06 1.08 119.26 125.03 1pwk h ALA 28 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1pwk h ALA 28 Cb 1.23 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1pwk h ALA 28 CO 0.12 0.50 0.00 0.52 0.00 0.00 0.00 179.25 180.39 1pwk h MET 29 N 1.12 0.00 0.17 0.00 2.86 -0.92 0.93 114.93 119.09 1pwk h MET 29 Ca 0.30 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.59 1pwk h MET 29 Cb -0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.60 1pwk h MET 29 CO -0.06 0.00 -1.75 1.49 1.06 0.00 0.00 176.91 177.65 1pwk h GLU 30 N 0.00 0.35 0.06 1.72 4.81 0.54 -3.38 114.58 118.69 1pwk h GLU 30 Ca 0.00 -0.60 -0.33 0.00 -0.13 0.00 0.00 59.36 58.31 1pwk h GLU 30 Cb 0.86 0.22 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 1pwk h GLU 30 CO 0.00 1.26 -1.83 1.57 -0.73 0.00 0.00 179.01 179.28 1pwk h LYS 31 N 0.10 0.14 -5.25 1.92 2.10 0.11 -3.46 116.57 112.22 1pwk h LYS 31 Ca -0.34 -0.23 -0.63 0.00 -2.00 0.00 0.00 60.65 57.44 1pwk h LYS 31 Cb 2.08 0.09 -0.33 0.00 -0.90 0.00 0.00 32.23 33.17 1pwk h LYS 31 CO 0.16 0.86 -0.86 0.71 -2.00 0.00 0.00 179.45 178.32 1pwk s TYR 32 N -2.58 2.22 -0.83 0.07 2.02 0.32 -5.00 117.35 113.57 1pwk s TYR 32 Ca -0.13 -0.84 0.14 0.00 -0.37 0.00 0.00 57.07 55.87 1pwk s TYR 32 Cb 0.07 -1.50 0.45 0.00 -0.40 0.00 0.00 41.96 40.58 1pwk s TYR 32 CO 0.80 -0.34 1.37 0.09 -1.57 0.00 0.00 175.55 175.91 1pwk n ASN 33 N 3.47 3.52 -1.39 2.29 5.03 -1.26 -3.35 115.26 123.57 1pwk n ASN 33 Ca -0.20 -2.33 0.00 0.00 0.87 0.00 0.00 54.58 52.93 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 0.42 0.00 0.00 2.41 5.41 -1.26 -5.05 119.36 121.28 1pwk n ILE 34 Ca 0.17 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.92 1pwk n ILE 34 Cb 0.63 -1.23 0.00 0.00 -0.71 0.00 0.00 39.64 38.33 1pwk n ILE 34 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1pwk n GLU 35 N -0.54 0.21 0.05 0.38 2.13 -1.26 -4.35 120.64 117.27 1pwk n GLU 35 Ca 0.00 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.93 1pwk n GLU 35 Cb 0.00 -0.99 -0.06 0.00 0.27 0.00 0.00 31.44 30.66 1pwk n GLU 35 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1pwk n LYS 36 N -1.50 0.59 -0.00 5.31 5.02 -1.26 -3.43 118.16 122.87 1pwk n LYS 36 Ca 0.00 -0.01 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 1pwk n LYS 36 Cb 0.02 -1.69 -0.12 0.00 -0.02 0.00 0.00 35.03 33.22 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 -2.44 0.85 0.03 4.39 9.92 -1.26 -1.15 116.55 126.89 1pwk n ASP 37 Ca -0.01 0.39 -0.08 0.00 -0.53 0.00 0.00 54.79 54.56 1pwk n ASP 37 Cb 0.54 0.04 0.07 0.00 -0.64 0.00 0.00 41.12 41.14 1pwk n ASP 37 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1pwk h ILE 38 N 0.00 1.34 0.00 0.53 1.08 -1.76 1.02 117.51 119.72 1pwk h ILE 38 Ca -0.25 -1.85 -0.18 0.00 -0.39 0.00 0.00 64.86 62.19 1pwk h ILE 38 Cb 1.86 1.84 -0.03 0.00 -3.07 0.00 0.00 36.82 37.43 1pwk h ILE 38 CO 0.07 0.57 -1.09 0.00 -0.69 0.00 0.00 178.15 177.01 1pwk h ALA 39 N 1.03 0.60 0.00 1.87 0.00 -1.66 -1.99 119.26 119.12 1pwk h ALA 39 Ca 0.00 -0.85 -0.09 0.00 0.00 0.00 0.00 54.91 53.97 1pwk h ALA 39 Cb 1.10 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1pwk h ALA 39 CO 0.10 1.03 -0.74 0.00 0.00 0.00 0.00 179.25 179.64 1pwk h ALA 40 N 1.27 0.69 0.11 0.00 0.00 -0.94 -1.16 119.26 119.23 1pwk h ALA 40 Ca -0.10 -0.43 -0.30 0.00 0.00 0.00 0.00 54.91 54.08 1pwk h ALA 40 Cb 1.64 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 1pwk h ALA 40 CO 0.08 0.53 -1.54 -0.92 0.00 0.00 0.00 179.25 177.40 1pwk h TYR 41 N 0.00 0.41 0.00 0.00 3.20 0.11 -0.69 116.97 119.99 1pwk h TYR 41 Ca -0.05 -0.30 -0.19 0.00 3.14 0.00 0.00 58.73 61.33 1pwk h TYR 41 Cb 1.33 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.56 1pwk h TYR 41 CO 0.00 1.36 -0.91 0.82 -1.64 0.00 0.00 178.16 177.79 1pwk h ILE 42 N 0.06 1.64 0.00 1.81 2.04 -1.44 0.94 117.51 122.56 1pwk h ILE 42 Ca -0.24 -3.14 -0.20 0.00 1.00 0.00 0.00 64.86 62.28 1pwk h ILE 42 Cb 2.01 2.70 -0.03 0.00 -0.74 0.00 0.00 36.82 40.76 1pwk h ILE 42 CO 0.15 0.89 -0.98 0.50 0.00 0.00 0.00 178.15 178.71 1pwk h LYS 43 N 0.00 0.00 0.01 2.37 3.64 -1.29 -1.68 116.57 119.62 1pwk h LYS 43 Ca -0.01 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.09 1pwk h LYS 43 Cb 1.63 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.41 1pwk h LYS 43 CO 0.12 0.83 -1.56 -0.22 -2.27 0.00 0.00 179.45 176.35 1pwk h LYS 44 N 0.00 0.02 0.00 1.90 3.11 -1.05 -2.07 116.57 118.48 1pwk h LYS 44 Ca -0.04 -0.04 -0.14 0.00 -2.81 0.00 0.00 60.65 57.62 1pwk h LYS 44 Cb 1.71 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.93 1pwk h LYS 44 CO 0.11 0.66 -0.69 0.93 -2.81 0.00 0.00 179.45 177.65 1pwk h GLU 45 N 0.01 0.00 0.09 1.90 4.39 0.88 -2.07 114.58 119.78 1pwk h GLU 45 Ca -0.23 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.15 1pwk h GLU 45 Cb 1.96 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.59 1pwk h GLU 45 CO 0.09 0.69 -1.76 0.74 -1.16 0.00 0.00 179.01 177.61 1pwk h PHE 46 N 0.00 0.36 -0.33 4.33 -1.00 -1.41 -3.30 116.94 115.58 1pwk h PHE 46 Ca -0.01 -0.26 -0.08 0.00 2.81 0.00 0.00 57.97 60.44 1pwk h PHE 46 Cb 1.33 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.86 1pwk h PHE 46 CO 0.00 1.70 -0.09 -0.44 -1.61 0.00 0.00 178.31 177.87 1pwk h ASP 47 N -0.24 0.65 -0.37 2.17 5.19 -1.48 -0.30 116.42 122.05 1pwk h ASP 47 Ca -0.40 -0.37 -0.14 0.00 -0.62 0.00 0.00 57.03 55.51 1pwk h ASP 47 Cb 1.82 -0.18 -0.08 0.00 0.18 0.00 0.00 39.33 41.07 1pwk h ASP 47 CO 0.01 0.87 0.17 0.29 -3.12 0.00 0.00 179.24 177.46 1pwk n LYS 48 N -4.42 2.04 -1.00 3.56 5.02 -0.78 -3.03 118.16 119.55 1pwk n LYS 48 Ca -0.02 -1.36 -0.03 0.00 -2.02 0.00 0.00 58.31 54.87 1pwk n LYS 48 Cb 0.34 -1.65 -0.02 0.00 -0.02 0.00 0.00 35.03 33.68 1pwk n LYS 48 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1pwk n LYS 49 N -0.02 0.12 0.02 1.97 3.00 -1.13 -4.96 118.16 117.16 1pwk n LYS 49 Ca 0.21 -0.56 0.00 0.00 -0.00 0.00 0.00 58.31 57.96 1pwk n LYS 49 Cb 0.88 0.45 0.00 0.00 0.00 0.00 0.00 35.03 36.37 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 -0.14 -1.61 0.00 5.64 9.36 -0.15 -4.87 117.16 125.40 1pwk n TYR 50 Ca -0.14 0.14 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1pwk n TYR 50 Cb 0.53 0.59 0.00 0.00 -0.63 0.00 0.00 39.34 39.83 1pwk n TYR 50 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1pwk n ASN 51 N -2.41 0.00 -4.78 2.98 5.03 -1.04 -5.02 115.26 110.03 1pwk n ASN 51 Ca 0.00 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 55.08 1pwk n ASN 51 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 38.72 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 -4.26 4.29 0.07 3.52 0.04 -1.26 -4.43 135.00 132.97 1pwk s PRO 52 Ca 0.00 1.57 0.02 0.00 0.04 0.00 0.00 61.00 62.63 1pwk s PRO 52 Cb 0.00 -2.71 -0.03 0.00 0.04 0.00 0.00 34.50 31.80 1pwk s PRO 52 CO 0.00 -0.04 -0.07 0.99 0.04 0.00 0.00 177.00 177.92 1pwk s THR 53 N -1.53 0.61 -0.15 1.26 2.01 -1.22 -5.01 115.64 111.61 1pwk s THR 53 Ca 0.54 -1.47 -0.01 0.00 0.31 0.00 0.00 61.69 61.05 1pwk s THR 53 Cb -0.24 -1.11 -0.02 0.00 0.01 0.00 0.00 72.50 71.14 1pwk s THR 53 CO 0.31 -0.61 -0.10 0.26 -0.69 0.00 0.00 174.62 173.79 1pwk s TRP 54 N -2.41 2.88 -0.26 4.92 0.52 -1.26 -4.37 118.94 118.96 1pwk s TRP 54 Ca 0.00 -0.59 -0.04 0.00 0.02 0.00 0.00 56.10 55.49 1pwk s TRP 54 Cb -0.03 -1.90 -0.02 0.00 -1.15 0.00 0.00 33.47 30.37 1pwk s TRP 54 CO -0.02 -0.20 2.84 0.72 0.02 0.00 0.00 176.95 180.31 1pwk n HIS 55 N 3.66 0.97 -1.89 -1.98 8.25 0.96 -4.77 115.22 120.42 1pwk n HIS 55 Ca -0.18 -1.74 -0.42 0.00 -0.26 0.00 0.00 57.72 55.12 1pwk n HIS 55 Cb 0.52 -1.30 -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 3.18 1.28 -0.03 0.00 1.01 0.11 -4.74 121.20 122.01 1pwk s ILE 57 Ca 0.76 -2.09 -0.02 0.00 0.00 0.00 0.00 60.65 59.31 1pwk s ILE 57 Cb -0.39 -1.89 0.01 0.00 0.01 0.00 0.00 42.46 40.19 1pwk s ILE 57 CO 0.33 -0.71 0.07 -0.69 0.00 0.00 0.00 174.94 173.94 1pwk s VAL 58 N -3.26 -0.02 0.00 2.92 1.01 -1.26 -0.53 120.40 119.26 1pwk s VAL 58 Ca 0.18 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1pwk s VAL 58 Cb 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 36.38 36.29 1pwk s VAL 58 CO 0.02 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1pwk n GLY 59 N 3.36 1.11 2.39 4.51 0.00 -0.46 -4.96 105.19 111.15 1pwk n GLY 59 Ca -0.16 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.12 3.73 -3.61 1.61 1.74 -1.26 0.18 116.66 118.93 1pwk n ARG 60 Ca 0.00 -2.43 -0.22 0.00 -0.77 0.00 0.00 57.85 54.43 1pwk n ARG 60 Cb 0.00 -2.84 0.06 0.00 -1.02 0.00 0.00 32.46 28.67 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 3.63 -3.12 0.00 0.55 2.88 -1.26 -4.94 113.62 111.36 1pwk n SER 61 Ca 0.73 -0.68 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1pwk n SER 61 Cb 0.25 -4.64 0.00 0.00 -0.75 0.00 0.00 64.21 59.07 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 -1.52 -1.24 2.72 0.46 0.00 -1.26 -4.88 105.19 99.47 1pwk n GLY 62 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.96 -2.11 0.00 1.61 2.04 -1.26 -4.98 115.26 108.60 1pwk n ASN 63 Ca 0.00 -3.27 0.06 0.00 -0.44 0.00 0.00 54.58 50.93 1pwk n ASN 63 Cb 0.00 1.75 0.37 0.00 -2.53 0.00 0.00 39.78 39.37 1pwk n ASN 63 CO 0.00 0.00 0.00 0.49 -0.44 0.00 0.00 177.26 177.31 1pwk n PHE 64 N 0.45 0.00 -1.10 -2.53 3.01 -1.26 -4.82 117.46 111.21 1pwk n PHE 64 Ca 0.04 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.46 1pwk n PHE 64 Cb 0.71 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.16 1pwk n PHE 64 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pwk n GLY 65 N 0.22 0.45 3.71 1.37 0.00 -1.26 -2.86 105.19 106.82 1pwk n GLY 65 Ca 0.09 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.74 -2.88 0.00 1.61 3.41 -1.26 -4.28 113.62 109.48 1pwk n SER 66 Ca -0.04 -0.92 0.00 0.00 -0.26 0.00 0.00 58.87 57.66 1pwk n SER 66 Cb 0.42 -3.71 0.00 0.00 -0.26 0.00 0.00 64.21 60.65 1pwk n SER 66 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1pwk n TYR 67 N -4.18 0.00 0.04 7.33 4.01 -1.18 -4.96 117.16 118.22 1pwk n TYR 67 Ca -0.21 0.00 0.21 0.00 -0.16 0.00 0.00 57.90 57.74 1pwk n TYR 67 Cb 0.64 0.00 0.62 0.00 -0.31 0.00 0.00 39.34 40.29 1pwk n TYR 67 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1pwk h VAL 68 N 0.00 0.19 -0.83 -0.72 2.07 -1.71 -1.30 116.25 113.95 1pwk h VAL 68 Ca 0.00 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.70 1pwk h VAL 68 Cb 0.00 0.41 -0.16 0.00 -1.52 0.00 0.00 31.29 30.03 1pwk h VAL 68 CO 0.00 0.00 -0.14 0.74 0.02 0.00 0.00 177.57 178.19 1pwk h THR 69 N 0.00 0.19 0.00 2.57 2.02 -1.93 -3.44 112.91 112.32 1pwk h THR 69 Ca 0.25 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.43 1pwk h THR 69 Cb 1.66 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 1pwk h THR 69 CO -0.00 0.00 0.00 1.57 0.37 0.00 0.00 175.52 177.46 1pwk n HIS 70 N -5.50 0.00 0.00 3.16 -0.00 -0.49 -2.09 115.22 110.30 1pwk n HIS 70 Ca 0.14 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.32 1pwk n HIS 70 Cb 0.47 -0.05 0.00 0.00 -0.12 0.00 0.00 29.99 30.29 1pwk n HIS 70 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 1pwk n GLU 71 N -0.52 0.00 0.00 1.57 0.28 -1.26 -5.12 120.64 115.60 1pwk n GLU 71 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1pwk n GLU 71 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1pwk n GLU 71 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1pwk n THR 72 N 0.00 0.00 0.00 3.84 5.66 -0.89 -4.94 114.28 117.96 1pwk n THR 72 Ca 0.00 0.36 0.00 0.00 -3.05 0.00 0.00 64.05 61.36 1pwk n THR 72 Cb 0.00 -1.15 0.00 0.00 -1.55 0.00 0.00 70.33 67.63 1pwk n THR 72 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1pwk n LYS 73 N 0.00 0.00 -4.28 1.09 5.02 -1.26 -5.10 118.16 113.64 1pwk n LYS 73 Ca 0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 1pwk n LYS 73 Cb 0.00 -0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 1pwk n LYS 73 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1pwk s HIS 74 N -1.01 1.42 -0.28 2.13 -3.43 -1.26 -5.10 115.29 107.76 1pwk s HIS 74 Ca 0.00 -1.29 -0.26 0.00 -0.80 0.00 0.00 55.06 52.70 1pwk s HIS 74 Cb 0.00 -0.77 0.17 0.00 -1.43 0.00 0.00 32.58 30.55 1pwk s HIS 74 CO 0.00 -0.49 1.29 -0.59 -2.00 0.00 0.00 174.74 172.95 1pwk s PHE 75 N -3.86 -0.18 0.25 0.38 -0.71 -1.25 -3.68 117.98 108.91 1pwk s PHE 75 Ca 0.38 0.41 0.10 0.00 -1.04 0.00 0.00 56.93 56.78 1pwk s PHE 75 Cb 0.07 0.45 -0.04 0.00 -1.21 0.00 0.00 43.02 42.29 1pwk s PHE 75 CO 0.14 -0.11 -0.10 -1.50 -1.34 0.00 0.00 175.22 172.31 1pwk s ILE 76 N -0.25 3.02 -0.29 -4.49 1.10 0.46 -2.85 121.20 117.91 1pwk s ILE 76 Ca 0.06 -2.01 -0.16 0.00 -0.51 0.00 0.00 60.65 58.03 1pwk s ILE 76 Cb -0.04 -2.57 0.11 0.00 0.15 0.00 0.00 42.46 40.12 1pwk s ILE 76 CO -0.10 -0.30 0.84 -0.47 -2.11 0.00 0.00 174.94 172.79 1pwk s TYR 77 N -2.19 -0.81 0.02 3.50 6.14 0.35 -1.99 117.35 122.38 1pwk s TYR 77 Ca 0.29 1.62 -0.11 0.00 0.64 0.00 0.00 57.07 59.50 1pwk s TYR 77 Cb -0.07 0.49 0.01 0.00 0.42 0.00 0.00 41.96 42.81 1pwk s TYR 77 CO 0.17 -0.40 0.24 -0.59 0.64 0.00 0.00 175.55 175.60 1pwk s PHE 78 N 1.50 -0.04 0.09 4.97 -0.71 0.23 -1.46 117.98 122.56 1pwk s PHE 78 Ca -0.09 -0.08 0.06 0.00 -1.04 0.00 0.00 56.93 55.78 1pwk s PHE 78 Cb -0.04 0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.75 1pwk s PHE 78 CO -0.17 -0.42 -0.09 0.71 -1.34 0.00 0.00 175.22 173.91 1pwk s TYR 79 N -2.15 2.78 -0.61 3.49 1.51 0.95 -0.18 117.35 123.14 1pwk s TYR 79 Ca -0.08 -0.13 0.05 0.00 -1.01 0.00 0.00 57.07 55.90 1pwk s TYR 79 Cb -0.03 -1.47 0.20 0.00 -0.11 0.00 0.00 41.96 40.55 1pwk s TYR 79 CO -0.01 0.42 0.54 -0.11 -1.11 0.00 0.00 175.55 175.27 1pwk n LEU 80 N 0.84 2.33 0.00 -1.29 7.94 0.74 0.12 117.00 127.68 1pwk n LEU 80 Ca -0.13 -5.08 0.00 0.00 -1.11 0.00 0.00 56.01 49.69 1pwk n LEU 80 Cb 0.52 -0.37 0.00 0.00 0.53 0.00 0.00 43.42 44.11 1pwk n LEU 80 CO 0.33 1.89 0.00 0.61 -1.11 0.00 0.00 177.39 179.11 1pwk n GLY 81 N 1.76 1.81 0.00 -3.96 0.00 -1.26 -2.21 105.19 101.33 1pwk n GLY 81 Ca 0.24 0.22 0.02 0.00 0.00 0.00 0.00 46.02 46.51 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 4.71 -3.38 1.61 1.13 -1.26 -4.32 117.38 115.87 1pwk n GLN 82 Ca 0.00 -0.01 -0.25 0.00 -1.94 0.00 0.00 57.00 54.81 1pwk n GLN 82 Cb 0.00 -0.76 -0.01 0.00 0.11 0.00 0.00 30.24 29.57 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 -1.54 5.10 -0.14 5.09 1.01 -0.94 -4.09 120.40 124.90 1pwk s VAL 83 Ca 0.01 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 1pwk s VAL 83 Cb 0.03 -3.84 0.05 0.00 0.00 0.00 0.00 36.38 32.62 1pwk s VAL 83 CO 0.17 -0.51 0.09 0.00 0.00 0.00 0.00 175.10 174.84 1pwk s ALA 84 N -2.27 0.33 0.01 5.51 0.00 0.47 -0.19 121.76 125.63 1pwk s ALA 84 Ca 0.40 -0.14 0.03 0.00 0.00 0.00 0.00 51.96 52.26 1pwk s ALA 84 Cb -0.10 -0.93 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 1pwk s ALA 84 CO 0.35 -0.99 -0.06 0.42 0.00 0.00 0.00 175.76 175.49 1pwk s ILE 85 N 2.16 3.72 0.19 0.00 1.01 0.74 -1.36 121.20 127.66 1pwk s ILE 85 Ca 0.03 -0.78 -0.01 0.00 0.00 0.00 0.00 60.65 59.89 1pwk s ILE 85 Cb -0.15 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 1pwk s ILE 85 CO -0.08 0.37 0.10 -1.48 0.00 0.00 0.00 174.94 173.85 1pwk s LEU 86 N -1.51 1.41 -0.29 2.97 0.05 0.31 -0.60 118.68 121.03 1pwk s LEU 86 Ca 0.18 -1.33 -0.16 0.00 0.05 0.00 0.00 54.13 52.87 1pwk s LEU 86 Cb -0.11 0.30 0.15 0.00 -2.05 0.00 0.00 46.19 44.48 1pwk s LEU 86 CO 0.09 -0.79 1.00 -0.22 -0.55 0.00 0.00 176.35 175.88 1pwk s LEU 87 N -3.15 -0.49 0.32 1.48 0.20 -0.84 0.10 118.68 116.30 1pwk s LEU 87 Ca 0.34 0.75 -0.19 0.00 0.69 0.00 0.00 54.13 55.73 1pwk s LEU 87 Cb 0.07 1.68 0.04 0.00 -0.43 0.00 0.00 46.19 47.55 1pwk s LEU 87 CO 0.09 -0.12 0.78 0.72 -0.29 0.00 0.00 176.35 177.54 1pwk s PHE 88 N 1.55 -0.03 -0.29 5.38 -0.12 -1.26 -0.41 117.98 122.81 1pwk s PHE 88 Ca -0.08 -0.53 -0.01 0.00 -0.05 0.00 0.00 56.93 56.27 1pwk s PHE 88 Cb -0.04 0.77 0.05 0.00 -0.63 0.00 0.00 43.02 43.17 1pwk s PHE 88 CO -0.15 -1.37 -0.02 0.21 -0.05 0.00 0.00 175.22 173.84 1pwk s LYS 89 N -3.03 2.38 -0.31 1.99 2.47 -1.24 -0.03 119.74 121.96 1pwk s LYS 89 Ca 0.14 -1.29 0.09 0.00 -1.56 0.00 0.00 55.97 53.34 1pwk s LYS 89 Cb -0.05 -3.13 0.56 0.00 -1.46 0.00 0.00 37.83 33.75 1pwk s LYS 89 CO 0.09 -0.62 1.57 0.43 0.16 0.00 0.00 175.35 176.98 1pwk n SER 90 N 4.58 3.00 0.00 1.43 7.64 -1.26 -4.01 113.62 125.00 1pwk n SER 90 Ca -0.13 -3.64 0.00 0.00 1.01 0.00 0.00 58.87 56.11 1pwk n SER 90 Cb 0.43 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 1pwk n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64