#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 -0.83 -0.54 7.83 0.15 -1.26 -5.03 113.70 114.01 1pwk s SER 2 Ca 0.00 -0.36 -0.02 0.00 0.70 0.00 0.00 55.95 56.27 1pwk s SER 2 Cb 0.00 1.11 0.23 0.00 -1.71 0.00 0.00 66.02 65.66 1pwk s SER 2 CO 0.00 -0.10 2.29 0.47 1.20 0.00 0.00 173.24 177.10 1pwk n ASP 3 N 4.13 6.94 -1.80 5.45 8.00 -1.26 -4.38 116.55 133.64 1pwk n ASP 3 Ca 0.08 -3.42 -0.11 0.00 0.71 0.00 0.00 54.79 52.05 1pwk n ASP 3 Cb 0.60 -1.11 0.07 0.00 -0.02 0.00 0.00 41.12 40.66 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 0.10 2.57 0.00 -1.24 5.12 -1.26 -4.66 116.66 117.30 1pwk n ARG 4 Ca 0.48 -3.70 0.01 0.00 -1.93 0.00 0.00 57.85 52.71 1pwk n ARG 4 Cb 0.51 -1.85 -0.00 0.00 -1.16 0.00 0.00 32.46 29.96 1pwk n ARG 4 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 1pwk n LYS 5 N -0.70 3.35 -1.55 5.56 -0.00 -1.26 -5.02 118.16 118.54 1pwk n LYS 5 Ca 0.29 -0.28 -0.49 0.00 -0.00 0.00 0.00 58.31 57.83 1pwk n LYS 5 Cb 0.89 -0.80 -0.06 0.00 -0.00 0.00 0.00 35.03 35.07 1pwk n LYS 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pwk n ALA 6 N -0.55 1.05 -3.91 0.58 0.00 -1.26 -3.79 120.51 112.63 1pwk n ALA 6 Ca 0.01 0.03 -0.34 0.00 0.00 0.00 0.00 53.44 53.15 1pwk n ALA 6 Cb 0.05 -2.58 -0.15 0.00 0.00 0.00 0.00 19.45 16.77 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 6.37 2.49 0.31 0.00 1.01 -0.26 -4.96 120.40 125.36 1pwk s VAL 7 Ca 1.03 -1.06 -0.13 0.00 0.00 0.00 0.00 61.98 61.83 1pwk s VAL 7 Cb -0.74 -2.21 -0.08 0.00 0.00 0.00 0.00 36.38 33.35 1pwk s VAL 7 CO 0.49 0.30 0.69 -0.63 0.00 0.00 0.00 175.10 175.95 1pwk s ILE 8 N 1.29 4.77 -0.04 2.22 1.01 -1.26 0.28 121.20 129.46 1pwk s ILE 8 Ca 0.01 0.75 -0.06 0.00 0.00 0.00 0.00 60.65 61.35 1pwk s ILE 8 Cb -0.16 -3.63 -0.02 0.00 0.01 0.00 0.00 42.46 38.66 1pwk s ILE 8 CO -0.08 -0.21 -0.12 1.17 0.00 0.00 0.00 174.94 175.70 1pwk n LYS 9 N -0.47 0.18 -3.94 2.79 3.00 -0.66 -4.90 118.16 114.16 1pwk n LYS 9 Ca 0.02 0.07 -0.09 0.00 -0.00 0.00 0.00 58.31 58.32 1pwk n LYS 9 Cb 0.53 -0.73 -0.08 0.00 0.00 0.00 0.00 35.03 34.75 1pwk n LYS 9 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1pwk s ASN 10 N -5.27 0.20 -0.27 3.14 2.47 -1.09 -5.04 114.94 109.07 1pwk s ASN 10 Ca -0.10 -0.79 -0.02 0.00 0.42 0.00 0.00 52.86 52.37 1pwk s ASN 10 Cb 0.01 0.32 0.16 0.00 -1.45 0.00 0.00 41.25 40.30 1pwk s ASN 10 CO 0.15 -0.72 0.51 0.00 -3.72 0.00 0.00 177.10 173.31 1pwk s ALA 11 N -3.90 -1.76 -0.57 1.71 0.00 -1.26 -1.11 121.76 114.87 1pwk s ALA 11 Ca 0.08 1.48 -0.02 0.00 0.00 0.00 0.00 51.96 53.50 1pwk s ALA 11 Cb 0.06 -1.94 0.38 0.00 0.00 0.00 0.00 23.12 21.62 1pwk s ALA 11 CO -0.08 -1.28 2.03 -3.47 0.00 0.00 0.00 175.76 172.96 1pwk n ASP 12 N 5.40 7.37 -4.67 0.00 -0.08 0.34 -4.93 116.55 119.98 1pwk n ASP 12 Ca -0.03 -3.58 -0.26 0.00 -1.51 0.00 0.00 54.79 49.41 1pwk n ASP 12 Cb 0.51 -1.00 -0.09 0.00 2.34 0.00 0.00 41.12 42.87 1pwk n ASP 12 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 1pwk s MET 13 N -3.26 2.08 0.18 -0.67 -1.94 -1.26 -3.84 119.30 110.60 1pwk s MET 13 Ca 0.55 -1.97 -0.13 0.00 -1.71 0.00 0.00 55.69 52.43 1pwk s MET 13 Cb 0.43 -1.81 0.15 0.00 2.01 0.00 0.00 34.83 35.62 1pwk s MET 13 CO -0.01 -0.07 1.74 1.03 -0.01 0.00 0.00 175.02 177.70 1pwk h SER 14 N 1.62 0.12 0.00 3.03 0.87 -1.99 -3.47 113.55 113.74 1pwk h SER 14 Ca -0.43 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1pwk h SER 14 Cb 1.25 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1pwk h SER 14 CO 0.75 0.10 0.00 -1.84 -0.53 0.00 0.00 176.83 175.31 1pwk n GLU 15 N -5.04 0.00 0.12 2.24 0.28 -1.26 -4.95 120.64 112.04 1pwk n GLU 15 Ca 0.04 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.15 1pwk n GLU 15 Cb 0.20 0.00 0.48 0.00 1.43 0.00 0.00 31.44 33.54 1pwk n GLU 15 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1pwk n ASP 16 N 0.00 0.52 -0.05 -1.84 9.92 -1.26 -1.36 116.55 122.48 1pwk n ASP 16 Ca 0.00 0.68 -0.22 0.00 -0.53 0.00 0.00 54.79 54.72 1pwk n ASP 16 Cb 0.00 -0.77 -0.13 0.00 -0.64 0.00 0.00 41.12 39.58 1pwk n ASP 16 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1pwk n MET 17 N -2.13 0.66 0.23 -1.24 2.81 -1.26 -1.51 117.12 114.68 1pwk n MET 17 Ca 0.01 0.42 0.16 0.00 -1.81 0.00 0.00 57.70 56.48 1pwk n MET 17 Cb 0.13 -1.72 0.76 0.00 -0.71 0.00 0.00 33.22 31.68 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 -0.49 0.00 0.05 0.03 3.07 -1.85 1.39 115.11 117.31 1pwk h GLN 18 Ca -0.40 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.10 1pwk h GLN 18 Cb 1.66 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 29.20 1pwk h GLN 18 CO -0.08 0.00 -1.27 1.96 0.09 0.00 0.00 178.83 179.54 1pwk h GLN 19 N 0.00 0.11 0.00 0.06 1.08 -1.30 -2.47 115.11 112.59 1pwk h GLN 19 Ca 0.00 -0.20 0.00 0.00 -1.45 0.00 0.00 58.65 57.00 1pwk h GLN 19 Cb 0.23 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 1pwk h GLN 19 CO 0.00 1.09 0.00 -0.44 -0.95 0.00 0.00 178.83 178.53 1pwk h ASP 20 N -0.63 0.00 0.01 1.46 5.19 -0.77 -1.84 116.42 119.84 1pwk h ASP 20 Ca -0.31 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.10 1pwk h ASP 20 Cb 1.52 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.03 1pwk h ASP 20 CO -0.06 0.00 -0.01 0.00 -3.12 0.00 0.00 179.24 176.05 1pwk h ALA 21 N 2.00 -0.01 -0.02 3.45 0.00 0.18 0.52 119.26 125.37 1pwk h ALA 21 Ca 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1pwk h ALA 21 Cb 0.67 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1pwk h ALA 21 CO 0.00 -0.05 -0.02 0.28 0.00 0.00 0.00 179.25 179.46 1pwk h VAL 22 N -0.93 1.03 0.08 0.00 2.07 -1.39 0.83 116.25 117.95 1pwk h VAL 22 Ca -0.00 -0.14 -0.16 0.00 0.82 0.00 0.00 66.70 67.22 1pwk h VAL 22 Cb 0.81 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1pwk h VAL 22 CO 0.00 0.04 -0.77 -0.78 0.02 0.00 0.00 177.57 176.09 1pwk h ASP 23 N 0.03 0.27 0.31 0.57 1.82 -1.37 0.79 116.42 118.85 1pwk h ASP 23 Ca 0.01 -0.90 0.00 0.00 -0.39 0.00 0.00 57.03 55.75 1pwk h ASP 23 Cb 0.06 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 39.98 1pwk h ASP 23 CO 0.00 1.34 0.00 0.00 -1.61 0.00 0.00 179.24 178.98 1pwk h ALA 25 N 2.07 0.39 -0.59 0.00 0.00 0.72 -1.59 119.26 120.25 1pwk h ALA 25 Ca 0.00 -1.35 -0.10 0.00 0.00 0.00 0.00 54.91 53.45 1pwk h ALA 25 Cb 0.16 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1pwk h ALA 25 CO 0.00 1.25 -0.04 1.15 0.00 0.00 0.00 179.25 181.62 1pwk h THR 26 N 0.04 1.27 -0.01 0.00 2.02 0.37 0.83 112.91 117.43 1pwk h THR 26 Ca -0.41 -1.20 -0.23 0.00 0.77 0.00 0.00 66.41 65.34 1pwk h THR 26 Cb 2.02 0.84 0.02 0.00 -1.74 0.00 0.00 68.15 69.29 1pwk h THR 26 CO 0.09 0.43 -0.90 1.56 0.37 0.00 0.00 175.52 177.08 1pwk h GLN 27 N 0.97 0.62 0.00 6.66 1.08 -0.33 -1.44 115.11 122.67 1pwk h GLN 27 Ca 0.16 -0.66 -0.08 0.00 -1.45 0.00 0.00 58.65 56.62 1pwk h GLN 27 Cb 0.60 0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 28.21 1pwk h GLN 27 CO 0.04 1.26 -0.40 0.00 -0.95 0.00 0.00 178.83 178.78 1pwk h ALA 28 N 0.38 1.25 0.00 3.87 0.00 -1.14 0.63 119.26 124.26 1pwk h ALA 28 Ca -0.11 -0.37 -0.21 0.00 0.00 0.00 0.00 54.91 54.22 1pwk h ALA 28 Cb 1.57 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 1pwk h ALA 28 CO 0.18 0.50 -1.04 0.52 0.00 0.00 0.00 179.25 179.41 1pwk h MET 29 N 0.00 0.00 0.16 0.00 2.86 0.71 0.27 114.93 118.93 1pwk h MET 29 Ca -0.00 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.30 1pwk h MET 29 Cb 0.75 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.41 1pwk h MET 29 CO 0.05 0.95 -1.70 1.05 1.06 0.00 0.00 176.91 178.32 1pwk h GLU 30 N 0.00 0.34 0.00 1.72 4.11 -1.01 -3.33 114.58 116.41 1pwk h GLU 30 Ca -0.03 -0.57 -0.19 0.00 0.07 0.00 0.00 59.36 58.64 1pwk h GLU 30 Cb 1.78 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 31.22 1pwk h GLU 30 CO 0.12 1.23 -0.86 -0.22 0.07 0.00 0.00 179.01 179.35 1pwk h LYS 31 N 0.09 0.06 -4.21 1.06 3.64 0.18 -3.44 116.57 113.96 1pwk h LYS 31 Ca -0.32 -0.07 -0.36 0.00 -1.27 0.00 0.00 60.65 58.63 1pwk h LYS 31 Cb 2.07 0.02 -0.31 0.00 -0.41 0.00 0.00 32.23 33.61 1pwk h LYS 31 CO 0.17 0.88 -0.76 0.71 -2.27 0.00 0.00 179.45 178.18 1pwk s TYR 32 N -3.11 0.58 -0.73 1.91 2.02 0.95 -5.02 117.35 113.95 1pwk s TYR 32 Ca -0.01 -0.12 0.09 0.00 -0.37 0.00 0.00 57.07 56.66 1pwk s TYR 32 Cb 0.11 -0.45 0.26 0.00 -0.40 0.00 0.00 41.96 41.48 1pwk s TYR 32 CO 0.81 -0.08 1.22 0.09 -1.57 0.00 0.00 175.55 176.02 1pwk n ASN 33 N 3.41 2.81 -2.01 2.29 5.03 -1.26 -3.44 115.26 122.09 1pwk n ASN 33 Ca -0.19 -2.05 0.00 0.00 0.87 0.00 0.00 54.58 53.21 1pwk n ASN 33 Cb 0.55 -0.21 0.00 0.00 -1.02 0.00 0.00 39.78 39.10 1pwk n ASN 33 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1pwk n ILE 34 N 0.28 0.00 0.00 2.41 5.41 -1.26 -5.05 119.36 121.15 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 0.42 -1.67 0.00 0.00 -0.71 0.00 0.00 39.64 37.68 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 -0.30 2.46 0.09 0.38 0.28 -1.26 -4.42 120.64 117.86 1pwk n GLU 35 Ca 0.00 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.11 1pwk n GLU 35 Cb 0.00 -0.89 -0.02 0.00 1.43 0.00 0.00 31.44 31.96 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 -1.48 0.60 -0.00 3.44 4.76 -1.26 -3.19 118.16 121.04 1pwk n LYS 36 Ca 0.00 0.08 -0.05 0.00 -2.87 0.00 0.00 58.31 55.47 1pwk n LYS 36 Cb 0.24 -1.78 -0.12 0.00 -1.84 0.00 0.00 35.03 31.53 1pwk n LYS 36 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1pwk n ASP 37 N -2.61 0.83 0.04 4.39 9.92 -1.26 -1.35 116.55 126.52 1pwk n ASP 37 Ca -0.00 0.38 -0.09 0.00 -0.53 0.00 0.00 54.79 54.54 1pwk n ASP 37 Cb 0.55 0.09 0.05 0.00 -0.64 0.00 0.00 41.12 41.17 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 1.36 0.00 0.53 1.08 -1.77 1.09 117.51 119.79 1pwk h ILE 38 Ca -0.24 -2.02 -0.14 0.00 -0.39 0.00 0.00 64.86 62.07 1pwk h ILE 38 Cb 1.83 2.01 -0.02 0.00 -3.07 0.00 0.00 36.82 37.57 1pwk h ILE 38 CO 0.06 0.61 -0.90 0.00 -0.69 0.00 0.00 178.15 177.23 1pwk h ALA 39 N 0.98 0.64 0.00 1.87 0.00 -1.65 -1.60 119.26 119.50 1pwk h ALA 39 Ca -0.02 -0.65 -0.07 0.00 0.00 0.00 0.00 54.91 54.17 1pwk h ALA 39 Cb 1.22 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1pwk h ALA 39 CO 0.12 0.79 -0.99 0.00 0.00 0.00 0.00 179.25 179.17 1pwk h ALA 40 N 1.43 0.63 0.00 0.00 0.00 -1.04 -1.55 119.26 118.73 1pwk h ALA 40 Ca -0.07 -0.36 -0.24 0.00 0.00 0.00 0.00 54.91 54.24 1pwk h ALA 40 Cb 1.50 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.33 1pwk h ALA 40 CO 0.06 0.40 -1.60 0.98 0.00 0.00 0.00 179.25 179.10 1pwk n TYR 41 N -2.86 0.98 0.03 0.00 4.19 0.37 -1.64 117.16 118.23 1pwk n TYR 41 Ca -0.03 0.34 -0.13 0.00 3.31 0.00 0.00 57.90 61.39 1pwk n TYR 41 Cb 0.67 -1.14 -0.14 0.00 0.49 0.00 0.00 39.34 39.22 1pwk n TYR 41 CO 0.00 0.00 0.00 0.82 0.91 0.00 0.00 176.86 178.59 1pwk h ILE 42 N 0.00 1.05 -0.00 2.97 2.04 -1.40 -0.55 117.51 121.62 1pwk h ILE 42 Ca -0.24 -2.79 -0.25 0.00 1.00 0.00 0.00 64.86 62.58 1pwk h ILE 42 Cb 1.84 2.62 0.02 0.00 -0.74 0.00 0.00 36.82 40.56 1pwk h ILE 42 CO 0.06 0.73 -0.97 0.50 0.00 0.00 0.00 178.15 178.48 1pwk h LYS 43 N 0.04 0.67 0.00 2.37 3.64 -1.42 -2.20 116.57 119.67 1pwk h LYS 43 Ca -0.25 -0.71 -0.15 0.00 -1.27 0.00 0.00 60.65 58.27 1pwk h LYS 43 Cb 1.98 0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 33.98 1pwk h LYS 43 CO 0.12 1.30 -0.69 -0.22 -2.27 0.00 0.00 179.45 177.68 1pwk h LYS 44 N 0.33 0.00 -0.29 1.90 1.63 -1.42 0.13 116.57 118.84 1pwk h LYS 44 Ca -0.12 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.54 1pwk h LYS 44 Cb 1.63 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.25 1pwk h LYS 44 CO 0.19 0.69 -0.38 1.49 -3.45 0.00 0.00 179.45 178.00 1pwk h GLU 45 N 0.00 0.68 0.13 1.90 4.57 -1.05 -1.81 114.58 119.00 1pwk h GLU 45 Ca -0.01 -0.34 -0.36 0.00 -1.18 0.00 0.00 59.36 57.47 1pwk h GLU 45 Cb 1.25 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.83 1pwk h GLU 45 CO 0.09 0.95 -1.98 1.19 -1.18 0.00 0.00 179.01 178.08 1pwk n PHE 46 N -4.04 1.28 0.15 0.92 3.72 -0.83 -3.10 117.46 115.56 1pwk n PHE 46 Ca -0.02 0.27 -0.00 0.00 -0.05 0.00 0.00 57.45 57.66 1pwk n PHE 46 Cb 0.52 -1.17 0.24 0.00 -0.94 0.00 0.00 39.48 38.13 1pwk n PHE 46 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 1pwk h ASP 47 N 0.06 0.02 0.51 4.37 3.04 -0.84 0.16 116.42 123.74 1pwk h ASP 47 Ca -0.42 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.36 1pwk h ASP 47 Cb 2.03 -0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.31 1pwk h ASP 47 CO 0.09 0.53 -0.52 1.17 -2.04 0.00 0.00 179.24 178.47 1pwk n LYS 48 N -3.92 0.01 -2.79 4.15 3.00 -0.68 -3.91 118.16 114.02 1pwk n LYS 48 Ca -0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.20 1pwk n LYS 48 Cb 0.53 -1.51 0.08 0.00 0.00 0.00 0.00 35.03 34.13 1pwk n LYS 48 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1pwk n LYS 49 N -1.53 1.05 0.00 1.64 5.02 -1.10 -4.93 118.16 118.31 1pwk n LYS 49 Ca 0.05 -2.17 0.00 0.00 -2.02 0.00 0.00 58.31 54.17 1pwk n LYS 49 Cb 0.34 -0.96 0.00 0.00 -0.02 0.00 0.00 35.03 34.39 1pwk n LYS 49 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1pwk n TYR 50 N 0.16 0.00 0.00 2.13 9.36 0.46 -4.70 117.16 124.56 1pwk n TYR 50 Ca 0.07 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.29 1pwk n TYR 50 Cb 0.73 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.44 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 -0.24 0.00 -4.75 2.98 5.03 -0.55 -5.00 115.26 112.73 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 -0.06 0.00 -1.02 0.00 0.00 39.78 38.70 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 -5.02 4.82 0.04 3.52 0.04 -1.25 -4.26 135.00 132.89 1pwk s PRO 52 Ca 0.00 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.49 1pwk s PRO 52 Cb 0.00 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 31.24 1pwk s PRO 52 CO 0.00 0.53 -0.04 0.99 0.04 0.00 0.00 177.00 178.51 1pwk s THR 53 N -1.18 0.28 -0.10 1.26 2.01 -1.26 -4.98 115.64 111.68 1pwk s THR 53 Ca 0.40 -1.25 -0.04 0.00 0.31 0.00 0.00 61.69 61.11 1pwk s THR 53 Cb -0.26 -0.76 -0.04 0.00 0.01 0.00 0.00 72.50 71.46 1pwk s THR 53 CO 0.31 -0.63 0.05 0.26 -0.69 0.00 0.00 174.62 173.93 1pwk s TRP 54 N -2.21 3.32 -0.86 4.92 0.52 -1.26 -4.34 118.94 119.03 1pwk s TRP 54 Ca -0.07 0.31 -0.02 0.00 0.02 0.00 0.00 56.10 56.34 1pwk s TRP 54 Cb -0.04 -1.86 0.34 0.00 -1.15 0.00 0.00 33.47 30.76 1pwk s TRP 54 CO -0.03 0.55 2.02 0.72 0.02 0.00 0.00 176.95 180.23 1pwk n HIS 55 N 2.15 2.93 -1.94 -1.98 8.25 0.15 -4.82 115.22 119.95 1pwk n HIS 55 Ca -0.19 -2.34 -0.29 0.00 -0.26 0.00 0.00 57.72 54.64 1pwk n HIS 55 Cb 0.54 -1.20 -0.04 0.00 1.12 0.00 0.00 29.99 30.41 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 10.57 4.45 0.14 0.00 1.01 0.14 -4.50 121.20 133.01 1pwk s ILE 57 Ca 0.74 -1.37 0.08 0.00 0.00 0.00 0.00 60.65 60.10 1pwk s ILE 57 Cb -0.10 -3.39 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 1pwk s ILE 57 CO 0.09 -0.33 -0.18 0.54 0.00 0.00 0.00 174.94 175.07 1pwk s VAL 58 N -2.10 1.66 0.29 2.92 0.11 -1.26 0.24 120.40 122.25 1pwk s VAL 58 Ca 0.33 -1.77 -0.19 0.00 -2.93 0.00 0.00 61.98 57.42 1pwk s VAL 58 Cb -0.08 -1.68 0.06 0.00 -1.53 0.00 0.00 36.38 33.15 1pwk s VAL 58 CO 0.25 -0.28 0.91 -0.83 -3.33 0.00 0.00 175.10 171.82 1pwk s GLY 59 N -2.42 0.23 -0.92 6.54 0.00 0.13 -4.96 107.32 105.92 1pwk s GLY 59 Ca 0.11 -0.53 -0.00 0.00 0.00 0.00 0.00 44.72 44.30 1pwk s GLY 59 CO 0.05 0.99 1.73 -2.13 0.00 0.00 0.00 173.10 173.75 1pwk n ARG 60 N -0.61 4.59 -4.45 2.90 0.63 -1.26 0.37 116.66 118.83 1pwk n ARG 60 Ca -0.06 -4.47 -0.39 0.00 -0.92 0.00 0.00 57.85 52.01 1pwk n ARG 60 Cb 0.60 -2.39 -0.07 0.00 0.45 0.00 0.00 32.46 31.04 1pwk n ARG 60 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1pwk n SER 61 N -0.19 -1.52 0.00 6.15 2.88 -1.25 -4.87 113.62 114.83 1pwk n SER 61 Ca 0.46 -1.21 0.00 0.00 -1.33 0.00 0.00 58.87 56.79 1pwk n SER 61 Cb 0.29 -1.81 0.00 0.00 -0.75 0.00 0.00 64.21 61.94 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 -1.40 -1.03 0.00 0.46 0.00 -1.26 -4.95 105.19 97.01 1pwk n GLY 62 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.83 0.00 0.00 1.61 2.04 -1.26 -5.02 115.26 110.80 1pwk n ASN 63 Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 1pwk n ASN 63 Cb 0.00 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 1pwk n ASN 63 CO 0.00 0.00 0.00 2.22 -0.44 0.00 0.00 177.26 179.04 1pwk n PHE 64 N 0.00 0.00 -0.65 -2.53 1.16 -1.26 -4.72 117.46 109.46 1pwk n PHE 64 Ca 0.00 -0.13 0.02 0.00 -1.87 0.00 0.00 57.45 55.47 1pwk n PHE 64 Cb 0.00 -0.01 0.31 0.00 -1.61 0.00 0.00 39.48 38.17 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 -0.13 2.98 1.09 4.97 0.00 -1.26 -4.12 105.19 108.73 1pwk n GLY 65 Ca 0.00 -0.81 -0.04 0.00 0.00 0.00 0.00 46.02 45.17 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 0.30 -0.55 -0.32 1.61 2.88 -1.26 -4.92 113.62 111.36 1pwk n SER 66 Ca 0.28 -1.98 0.00 0.00 -1.33 0.00 0.00 58.87 55.84 1pwk n SER 66 Cb 1.13 0.16 0.00 0.00 -0.75 0.00 0.00 64.21 64.75 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 0.11 0.00 0.47 0.66 9.36 -1.26 -4.92 117.16 121.58 1pwk n TYR 67 Ca -0.20 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.07 1pwk n TYR 67 Cb 0.79 0.21 0.03 0.00 -0.63 0.00 0.00 39.34 39.75 1pwk n TYR 67 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1pwk n VAL 68 N 0.00 0.00 0.10 2.97 0.31 -1.26 -4.71 118.33 115.74 1pwk n VAL 68 Ca 0.00 -0.47 -0.04 0.00 -0.01 0.00 0.00 64.34 63.82 1pwk n VAL 68 Cb 0.46 1.20 -0.02 0.00 -0.91 0.00 0.00 33.84 34.57 1pwk n VAL 68 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1pwk h THR 69 N 1.91 0.00 -0.45 2.52 2.02 -1.91 -3.46 112.91 113.54 1pwk h THR 69 Ca 0.00 -0.02 -0.14 0.00 0.77 0.00 0.00 66.41 67.02 1pwk h THR 69 Cb 0.44 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.79 1pwk h THR 69 CO 0.00 0.00 -0.13 1.41 0.37 0.00 0.00 175.52 177.17 1pwk n HIS 70 N -2.75 -0.06 -1.67 3.16 -0.00 -1.26 -0.86 115.22 111.77 1pwk n HIS 70 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.69 1pwk n HIS 70 Cb 0.10 -2.29 0.00 0.00 -0.00 0.00 0.00 29.99 27.80 1pwk n HIS 70 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1pwk n GLU 71 N -0.34 0.00 0.15 -0.41 -0.58 -1.26 -4.97 120.64 113.23 1pwk n GLU 71 Ca -0.07 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.80 1pwk n GLU 71 Cb 0.48 -1.83 0.65 0.00 -0.57 0.00 0.00 31.44 30.18 1pwk n GLU 71 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1pwk h THR 72 N 0.00 0.90 0.00 2.62 2.02 -1.32 -3.46 112.91 113.68 1pwk h THR 72 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1pwk h THR 72 Cb 0.69 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1pwk h THR 72 CO 0.00 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.18 1pwk n LYS 73 N -4.48 0.00 -3.83 6.66 4.76 -1.26 -4.47 118.16 115.55 1pwk n LYS 73 Ca 0.02 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.34 1pwk n LYS 73 Cb 0.29 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.38 1pwk n LYS 73 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1pwk s HIS 74 N -1.19 -0.09 0.00 2.13 3.76 -1.26 -5.01 115.29 113.64 1pwk s HIS 74 Ca 0.00 0.15 0.00 0.00 -0.15 0.00 0.00 55.06 55.06 1pwk s HIS 74 Cb 0.00 0.02 0.00 0.00 1.11 0.00 0.00 32.58 33.71 1pwk s HIS 74 CO 0.00 -0.27 0.00 1.97 -0.85 0.00 0.00 174.74 175.59 1pwk n PHE 75 N 1.80 0.00 -3.95 1.40 1.16 -1.25 -3.41 117.46 113.21 1pwk n PHE 75 Ca -0.20 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.28 1pwk n PHE 75 Cb 0.56 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.32 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 0.08 -0.09 1.97 2.07 0.16 0.13 121.20 123.51 1pwk s ILE 76 Ca 0.00 -0.65 -0.03 0.00 -1.41 0.00 0.00 60.65 58.56 1pwk s ILE 76 Cb 0.00 -0.19 0.04 0.00 0.13 0.00 0.00 42.46 42.44 1pwk s ILE 76 CO 0.00 -0.36 0.06 -0.31 -1.91 0.00 0.00 174.94 172.42 1pwk s TYR 77 N -1.04 0.23 0.04 3.50 1.51 -0.27 -1.31 117.35 120.01 1pwk s TYR 77 Ca -0.11 -0.02 -0.00 0.00 -1.01 0.00 0.00 57.07 55.92 1pwk s TYR 77 Cb -0.07 -0.61 -0.03 0.00 -0.11 0.00 0.00 41.96 41.13 1pwk s TYR 77 CO -0.01 -0.33 -0.03 -0.59 -1.11 0.00 0.00 175.55 173.48 1pwk s PHE 78 N 2.12 0.44 0.31 2.71 -0.12 -0.76 -1.65 117.98 121.02 1pwk s PHE 78 Ca 0.04 -0.80 0.09 0.00 -0.05 0.00 0.00 56.93 56.21 1pwk s PHE 78 Cb -0.13 -0.31 -0.05 0.00 -0.63 0.00 0.00 43.02 41.89 1pwk s PHE 78 CO -0.05 -0.27 0.01 0.71 -0.05 0.00 0.00 175.22 175.56 1pwk s TYR 79 N -2.73 2.60 -0.36 3.49 1.51 0.14 -0.75 117.35 121.24 1pwk s TYR 79 Ca -0.03 -0.35 0.02 0.00 -1.01 0.00 0.00 57.07 55.69 1pwk s TYR 79 Cb -0.01 -1.38 0.15 0.00 -0.11 0.00 0.00 41.96 40.62 1pwk s TYR 79 CO -0.05 0.52 0.30 -0.48 -1.11 0.00 0.00 175.55 174.73 1pwk s LEU 80 N -3.71 0.46 0.00 -1.29 2.34 0.36 -1.10 118.68 115.74 1pwk s LEU 80 Ca 0.34 -1.91 0.00 0.00 0.06 0.00 0.00 54.13 52.62 1pwk s LEU 80 Cb -0.03 0.09 0.00 0.00 -0.56 0.00 0.00 46.19 45.69 1pwk s LEU 80 CO 0.20 -0.28 0.00 0.61 -1.06 0.00 0.00 176.35 175.82 1pwk n GLY 81 N 4.10 2.08 0.00 -3.48 0.00 -1.25 -2.37 105.19 104.27 1pwk n GLY 81 Ca 0.12 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 1.23 -3.91 1.61 0.00 -1.26 -5.04 117.38 110.02 1pwk n GLN 82 Ca 0.00 -0.15 -0.22 0.00 0.00 0.00 0.00 57.00 56.63 1pwk n GLN 82 Cb 0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 30.24 29.67 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 -0.22 5.25 -0.10 -0.39 1.01 -1.00 -3.76 120.40 121.19 1pwk s VAL 83 Ca 0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 1pwk s VAL 83 Cb 0.00 -3.85 0.05 0.00 0.00 0.00 0.00 36.38 32.58 1pwk s VAL 83 CO 0.00 -0.32 0.12 0.00 0.00 0.00 0.00 175.10 174.90 1pwk s ALA 84 N -1.98 0.08 0.06 5.51 0.00 0.16 -0.49 121.76 125.09 1pwk s ALA 84 Ca 0.35 0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.56 1pwk s ALA 84 Cb -0.09 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 1pwk s ALA 84 CO 0.30 -0.75 0.02 0.42 0.00 0.00 0.00 175.76 175.75 1pwk s ILE 85 N 2.22 4.18 -0.24 0.00 1.01 0.07 -0.70 121.20 127.75 1pwk s ILE 85 Ca 0.04 -0.83 -0.00 0.00 0.00 0.00 0.00 60.65 59.86 1pwk s ILE 85 Cb -0.13 -2.96 0.07 0.00 0.01 0.00 0.00 42.46 39.44 1pwk s ILE 85 CO -0.06 0.19 -0.01 -0.76 0.00 0.00 0.00 174.94 174.30 1pwk s LEU 86 N -2.12 2.24 -0.16 2.97 1.02 0.14 -1.84 118.68 120.93 1pwk s LEU 86 Ca 0.25 -1.17 -0.04 0.00 0.02 0.00 0.00 54.13 53.19 1pwk s LEU 86 Cb -0.12 -1.00 -0.03 0.00 0.02 0.00 0.00 46.19 45.07 1pwk s LEU 86 CO 0.17 -0.28 -0.04 -0.22 0.02 0.00 0.00 176.35 176.00 1pwk s LEU 87 N 1.53 3.23 0.25 1.79 0.20 -0.43 -0.69 118.68 124.56 1pwk s LEU 87 Ca -0.02 -0.15 -0.21 0.00 0.69 0.00 0.00 54.13 54.44 1pwk s LEU 87 Cb -0.18 -1.78 0.05 0.00 -0.43 0.00 0.00 46.19 43.85 1pwk s LEU 87 CO -0.09 0.15 0.85 0.72 -0.29 0.00 0.00 176.35 177.70 1pwk s PHE 88 N 0.47 -0.06 -0.29 5.38 -0.12 -1.26 0.35 117.98 122.45 1pwk s PHE 88 Ca -0.03 -0.39 0.02 0.00 -0.05 0.00 0.00 56.93 56.47 1pwk s PHE 88 Cb -0.14 0.72 0.08 0.00 -0.63 0.00 0.00 43.02 43.04 1pwk s PHE 88 CO 0.03 -1.15 -0.01 0.21 -0.05 0.00 0.00 175.22 174.25 1pwk s LYS 89 N -3.11 1.57 -0.31 1.99 2.47 -1.22 0.31 119.74 121.45 1pwk s LYS 89 Ca 0.14 -1.38 0.05 0.00 -1.56 0.00 0.00 55.97 53.22 1pwk s LYS 89 Cb -0.04 -2.78 0.57 0.00 -1.46 0.00 0.00 37.83 34.11 1pwk s LYS 89 CO 0.06 -0.76 1.67 -1.13 0.16 0.00 0.00 175.35 175.35 1pwk n SER 90 N 4.50 3.92 -0.90 1.43 3.41 -1.26 -4.38 113.62 120.34 1pwk n SER 90 Ca -0.06 -3.14 0.12 0.00 -0.26 0.00 0.00 58.87 55.54 1pwk n SER 90 Cb 0.43 -0.74 0.15 0.00 -0.26 0.00 0.00 64.21 63.79 1pwk n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49