#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rhw s SER 2 N 0.00 0.21 0.42 7.83 0.01 -1.26 -5.12 113.70 115.80 1rhw s SER 2 Ca 0.00 0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.79 1rhw s SER 2 Cb 0.00 1.02 0.00 0.00 0.21 0.00 0.00 66.02 67.25 1rhw s SER 2 CO 0.00 -0.26 0.00 0.47 0.41 0.00 0.00 173.24 173.86 1rhw n ASP 3 N 5.37 -8.34 0.00 2.44 9.92 -1.26 -4.92 116.55 119.75 1rhw n ASP 3 Ca -0.06 0.85 0.00 0.00 -0.53 0.00 0.00 54.79 55.05 1rhw n ASP 3 Cb 0.50 -4.41 0.00 0.00 -0.64 0.00 0.00 41.12 36.57 1rhw n ASP 3 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1rhw n ARG 4 N -4.21 0.00 -0.15 -1.24 3.00 -1.26 -5.14 116.66 107.66 1rhw n ARG 4 Ca -0.02 0.00 0.02 0.00 -0.01 0.00 0.00 57.85 57.84 1rhw n ARG 4 Cb 0.64 -0.59 -0.01 0.00 0.00 0.00 0.00 32.46 32.51 1rhw n ARG 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1rhw n LYS 5 N -2.42 -0.30 -1.50 5.56 5.02 -1.26 -4.48 118.16 118.77 1rhw n LYS 5 Ca 0.00 0.20 -0.36 0.00 -2.02 0.00 0.00 58.31 56.13 1rhw n LYS 5 Cb 0.31 -0.37 -0.16 0.00 -0.02 0.00 0.00 35.03 34.79 1rhw n LYS 5 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rhw n ALA 6 N -0.26 0.50 -2.20 7.82 0.00 -1.26 -4.83 120.51 120.28 1rhw n ALA 6 Ca 0.00 -0.45 -0.11 0.00 0.00 0.00 0.00 53.44 52.88 1rhw n ALA 6 Cb 0.07 -2.37 -0.10 0.00 0.00 0.00 0.00 19.45 17.05 1rhw n ALA 6 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1rhw s VAL 7 N 7.35 0.74 -0.01 0.00 1.01 -1.24 -5.08 120.40 123.17 1rhw s VAL 7 Ca 1.32 -1.92 0.08 0.00 0.00 0.00 0.00 61.98 61.46 1rhw s VAL 7 Cb -1.09 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 1rhw s VAL 7 CO 0.49 -0.84 -0.26 -0.63 0.00 0.00 0.00 175.10 173.85 1rhw s ILE 8 N -3.52 2.04 0.00 2.22 1.01 -1.26 -1.96 121.20 119.73 1rhw s ILE 8 Ca 0.12 -1.14 0.00 0.00 0.00 0.00 0.00 60.65 59.62 1rhw s ILE 8 Cb 0.04 -1.70 0.00 0.00 0.01 0.00 0.00 42.46 40.81 1rhw s ILE 8 CO -0.04 0.54 0.00 0.29 0.00 0.00 0.00 174.94 175.73 1rhw n LYS 9 N 2.34 0.00 -3.80 2.79 4.01 -1.05 -4.94 118.16 117.52 1rhw n LYS 9 Ca -0.16 0.03 -0.19 0.00 -0.51 0.00 0.00 58.31 57.48 1rhw n LYS 9 Cb 0.51 -0.25 -0.17 0.00 -0.51 0.00 0.00 35.03 34.61 1rhw n LYS 9 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 1rhw s ASN 10 N -1.80 0.84 -0.40 4.39 -0.87 -0.73 -5.04 114.94 111.33 1rhw s ASN 10 Ca 0.00 0.00 0.05 0.00 -1.57 0.00 0.00 52.86 51.34 1rhw s ASN 10 Cb 0.00 -0.22 0.18 0.00 -0.02 0.00 0.00 41.25 41.19 1rhw s ASN 10 CO 0.00 -0.17 0.71 0.00 -2.57 0.00 0.00 177.10 175.07 1rhw s ALA 11 N 1.57 -2.73 -0.68 0.60 0.00 -1.26 -1.32 121.76 117.94 1rhw s ALA 11 Ca -0.02 0.36 -0.26 0.00 0.00 0.00 0.00 51.96 52.04 1rhw s ALA 11 Cb -0.13 -2.79 -0.08 0.00 0.00 0.00 0.00 23.12 20.13 1rhw s ALA 11 CO -0.03 -2.27 2.23 -0.51 0.00 0.00 0.00 175.76 175.18 1rhw s ASP 12 N 1.79 4.53 0.25 0.00 -0.00 -1.26 -4.80 116.67 117.18 1rhw s ASP 12 Ca 0.17 0.30 -0.20 0.00 -0.00 0.00 0.00 52.55 52.82 1rhw s ASP 12 Cb -0.02 -2.53 0.07 0.00 -0.00 0.00 0.00 42.92 40.44 1rhw s ASP 12 CO -0.08 -3.09 0.96 -0.32 -0.00 0.00 0.00 175.17 172.64 1rhw s MET 13 N 8.03 1.62 0.01 8.23 1.75 -1.26 -4.82 119.30 132.85 1rhw s MET 13 Ca 0.85 -1.05 -0.14 0.00 -1.25 0.00 0.00 55.69 54.10 1rhw s MET 13 Cb -0.13 0.45 -0.06 0.00 2.84 0.00 0.00 34.83 37.93 1rhw s MET 13 CO 0.14 -0.76 0.41 0.45 -0.65 0.00 0.00 175.02 174.61 1rhw s SER 14 N -3.32 6.80 0.62 1.11 0.15 -1.26 -4.88 113.70 112.92 1rhw s SER 14 Ca 0.20 0.95 0.22 0.00 0.70 0.00 0.00 55.95 58.03 1rhw s SER 14 Cb -0.03 -2.25 1.00 0.00 -1.71 0.00 0.00 66.02 63.03 1rhw s SER 14 CO 0.07 0.31 1.50 -0.08 1.20 0.00 0.00 173.24 176.24 1rhw h GLU 15 N 4.59 0.00 0.92 5.44 4.81 -1.97 0.35 114.58 128.72 1rhw h GLU 15 Ca -0.51 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.67 1rhw h GLU 15 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1rhw h GLU 15 CO 0.62 0.00 -0.49 1.49 -0.73 0.00 0.00 179.01 179.90 1rhw h GLU 16 N 0.00 -1.24 0.17 1.92 4.22 -1.97 0.67 114.58 118.34 1rhw h GLU 16 Ca 0.24 0.08 -0.30 0.00 0.08 0.00 0.00 59.36 59.47 1rhw h GLU 16 Cb 1.92 0.28 0.02 0.00 0.50 0.00 0.00 28.75 31.47 1rhw h GLU 16 CO -0.00 -0.83 -1.33 0.52 -2.18 0.00 0.00 179.01 175.19 1rhw h MET 17 N -1.29 0.36 -0.18 1.92 0.00 -1.14 -1.36 114.93 113.24 1rhw h MET 17 Ca -0.12 -0.61 -0.01 0.00 0.00 0.00 0.00 59.70 58.96 1rhw h MET 17 Cb 1.01 0.23 -0.01 0.00 0.00 0.00 0.00 31.60 32.83 1rhw h MET 17 CO 0.17 1.29 0.08 0.37 0.00 0.00 0.00 176.91 178.83 1rhw h GLN 18 N 0.10 0.26 -0.05 1.72 4.15 -0.49 0.48 115.11 121.28 1rhw h GLN 18 Ca -0.18 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.17 1rhw h GLN 18 Cb 2.04 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.68 1rhw h GLN 18 CO 0.23 0.30 -0.09 0.37 -1.93 0.00 0.00 178.83 177.70 1rhw h GLN 19 N 0.16 0.15 -0.64 1.69 -0.00 0.25 0.90 115.11 117.63 1rhw h GLN 19 Ca 0.06 -0.10 0.07 0.00 -0.00 0.00 0.00 58.65 58.69 1rhw h GLN 19 Cb 0.12 0.01 -0.06 0.00 0.00 0.00 0.00 27.48 27.56 1rhw h GLN 19 CO -0.01 0.67 0.32 0.22 0.00 0.00 0.00 178.83 180.03 1rhw h ASP 20 N -0.35 0.43 0.00 -0.69 1.82 -1.20 0.69 116.42 117.12 1rhw h ASP 20 Ca 0.00 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 1rhw h ASP 20 Cb 0.67 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.65 1rhw h ASP 20 CO 0.02 0.27 0.00 0.00 -1.61 0.00 0.00 179.24 177.92 1rhw n ALA 21 N -2.38 -0.21 -0.64 -0.78 0.00 0.17 -1.21 120.51 115.45 1rhw n ALA 21 Ca 0.08 0.00 0.50 0.00 0.00 0.00 0.00 53.44 54.02 1rhw n ALA 21 Cb 0.21 0.00 0.80 0.00 0.00 0.00 0.00 19.45 20.46 1rhw n ALA 21 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1rhw h VAL 22 N 0.00 0.05 0.54 0.00 3.04 -0.80 0.99 116.25 120.07 1rhw h VAL 22 Ca 0.00 -0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.66 1rhw h VAL 22 Cb 0.00 0.04 0.01 0.00 -2.01 0.00 0.00 31.29 29.33 1rhw h VAL 22 CO 0.00 0.00 -0.26 -0.78 -1.01 0.00 0.00 177.57 175.52 1rhw h ASP 23 N 0.01 -0.62 -0.40 3.17 3.58 0.49 0.71 116.42 123.35 1rhw h ASP 23 Ca 0.90 -0.05 0.07 0.00 0.42 0.00 0.00 57.03 58.37 1rhw h ASP 23 Cb 3.49 0.16 -0.06 0.00 1.72 0.00 0.00 39.33 44.63 1rhw h ASP 23 CO -0.08 -0.24 0.02 0.00 -2.88 0.00 0.00 179.24 176.06 1rhw h ALA 25 N 1.34 0.17 0.02 0.00 0.00 -0.67 0.47 119.26 120.59 1rhw h ALA 25 Ca 0.20 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1rhw h ALA 25 Cb 0.27 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1rhw h ALA 25 CO -0.31 -0.40 -0.54 1.15 0.00 0.00 0.00 179.25 179.15 1rhw h THR 26 N 0.11 0.00 -0.52 0.00 2.02 0.17 -0.17 112.91 114.53 1rhw h THR 26 Ca 0.07 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.26 1rhw h THR 26 Cb 0.06 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.44 1rhw h THR 26 CO -0.09 0.00 0.34 -0.61 0.37 0.00 0.00 175.52 175.54 1rhw h GLN 27 N -0.69 0.66 0.06 6.66 4.15 -0.66 0.33 115.11 125.62 1rhw h GLN 27 Ca 0.01 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.41 1rhw h GLN 27 Cb 0.73 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 28.22 1rhw h GLN 27 CO -0.35 0.44 -0.48 0.00 -1.93 0.00 0.00 178.83 176.51 1rhw h ALA 28 N 1.68 -0.86 -0.12 3.38 0.00 0.17 0.40 119.26 123.91 1rhw h ALA 28 Ca 0.19 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1rhw h ALA 28 Cb -0.05 0.84 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1rhw h ALA 28 CO -0.04 -1.06 -0.25 1.25 0.00 0.00 0.00 179.25 179.14 1rhw h LEU 29 N -0.68 0.21 0.00 0.00 6.46 -0.82 1.81 115.31 122.29 1rhw h LEU 29 Ca 0.02 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 1rhw h LEU 29 Cb 0.72 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.59 1rhw h LEU 29 CO -0.31 0.47 0.00 1.21 -0.62 0.00 0.00 178.44 179.19 1rhw n GLU 30 N -4.17 0.16 0.00 1.25 4.07 0.07 -3.11 120.64 118.91 1rhw n GLU 30 Ca -0.01 0.17 0.00 0.00 -0.06 0.00 0.00 57.16 57.26 1rhw n GLU 30 Cb 0.36 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.24 1rhw n GLU 30 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1rhw n LYS 31 N -1.34 0.10 -1.38 5.31 4.81 0.12 -5.01 118.16 120.77 1rhw n LYS 31 Ca 0.06 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.47 1rhw n LYS 31 Cb 0.14 -0.98 0.01 0.00 0.02 0.00 0.00 35.03 34.22 1rhw n LYS 31 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1rhw n TYR 32 N -2.45 -2.84 0.00 5.64 4.02 0.60 -5.07 117.16 117.07 1rhw n TYR 32 Ca 0.00 -0.40 0.00 0.00 -0.01 0.00 0.00 57.90 57.49 1rhw n TYR 32 Cb 0.48 -0.10 0.00 0.00 -0.02 0.00 0.00 39.34 39.70 1rhw n TYR 32 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1rhw n ASN 33 N -2.86 0.00 -4.57 7.72 2.85 -1.26 -4.60 115.26 112.54 1rhw n ASN 33 Ca 0.03 0.00 -0.24 0.00 -0.11 0.00 0.00 54.58 54.26 1rhw n ASN 33 Cb 0.11 0.02 -0.06 0.00 1.24 0.00 0.00 39.78 41.09 1rhw n ASN 33 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1rhw s ILE 34 N -1.41 3.36 0.26 -1.44 1.01 -1.26 -4.76 121.20 116.96 1rhw s ILE 34 Ca 0.00 -0.44 0.12 0.00 0.00 0.00 0.00 60.65 60.33 1rhw s ILE 34 Cb 0.00 -4.01 0.27 0.00 0.01 0.00 0.00 42.46 38.73 1rhw s ILE 34 CO 0.00 -0.72 1.14 -0.62 0.00 0.00 0.00 174.94 174.73 1rhw n GLU 35 N 8.62 -0.05 -0.02 2.79 1.02 -1.26 0.24 120.64 131.98 1rhw n GLU 35 Ca 0.43 1.02 -0.09 0.00 -0.02 0.00 0.00 57.16 58.49 1rhw n GLU 35 Cb 0.46 -1.77 -0.03 0.00 -0.02 0.00 0.00 31.44 30.08 1rhw n GLU 35 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1rhw h LYS 36 N 0.00 -0.31 0.00 3.49 1.57 -2.00 0.68 116.57 120.01 1rhw h LYS 36 Ca 0.57 0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 59.30 1rhw h LYS 36 Cb 1.43 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.80 1rhw h LYS 36 CO -0.59 -0.20 -0.33 0.22 -0.57 0.00 0.00 179.45 177.98 1rhw h ASP 37 N -0.32 0.00 -0.22 0.86 -0.00 0.27 -1.29 116.42 115.72 1rhw h ASP 37 Ca 0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 57.03 57.13 1rhw h ASP 37 Cb 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.81 1rhw h ASP 37 CO -0.36 0.33 0.08 0.40 -0.00 0.00 0.00 179.24 179.68 1rhw h ILE 38 N 0.00 1.18 -0.59 2.25 2.04 0.18 0.42 117.51 122.99 1rhw h ILE 38 Ca -0.00 -0.57 -0.09 0.00 1.00 0.00 0.00 64.86 65.19 1rhw h ILE 38 Cb 0.62 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 1rhw h ILE 38 CO 0.04 0.18 0.01 0.00 0.00 0.00 0.00 178.15 178.38 1rhw h ALA 39 N 0.91 0.90 -0.07 1.87 0.00 0.54 -0.98 119.26 122.42 1rhw h ALA 39 Ca 0.07 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1rhw h ALA 39 Cb 0.22 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1rhw h ALA 39 CO -0.00 0.65 -0.28 0.00 0.00 0.00 0.00 179.25 179.62 1rhw h ALA 40 N 1.06 1.41 -0.22 0.00 0.00 -0.93 -1.43 119.26 119.14 1rhw h ALA 40 Ca 0.17 -0.29 -0.19 0.00 0.00 0.00 0.00 54.91 54.60 1rhw h ALA 40 Cb 0.53 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1rhw h ALA 40 CO 0.03 0.42 -0.61 -0.92 0.00 0.00 0.00 179.25 178.17 1rhw h TYR 41 N 0.11 0.97 0.30 0.00 5.03 0.53 -1.24 116.97 122.66 1rhw h TYR 41 Ca 0.02 -0.37 -0.01 0.00 2.58 0.00 0.00 58.73 60.94 1rhw h TYR 41 Cb 0.56 -0.17 0.00 0.00 1.55 0.00 0.00 36.73 38.67 1rhw h TYR 41 CO 0.00 1.17 -0.14 0.82 -1.32 0.00 0.00 178.16 178.69 1rhw h ILE 42 N 0.56 0.72 -0.49 1.81 2.04 -0.80 0.59 117.51 121.95 1rhw h ILE 42 Ca -0.00 -0.51 0.07 0.00 1.00 0.00 0.00 64.86 65.42 1rhw h ILE 42 Cb 1.20 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 38.21 1rhw h ILE 42 CO 0.13 0.10 0.13 0.50 0.00 0.00 0.00 178.15 179.01 1rhw h LYS 43 N -0.69 0.28 -0.64 2.37 3.64 -1.32 0.27 116.57 120.48 1rhw h LYS 43 Ca -0.04 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 1rhw h LYS 43 Cb 0.48 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 1rhw h LYS 43 CO 0.07 0.18 0.19 -0.22 -2.27 0.00 0.00 179.45 177.40 1rhw h LYS 44 N 0.29 0.99 0.13 1.90 3.64 -1.13 0.83 116.57 123.22 1rhw h LYS 44 Ca 0.24 -0.20 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1rhw h LYS 44 Cb 0.29 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 1rhw h LYS 44 CO -0.28 0.86 -0.39 1.49 -2.27 0.00 0.00 179.45 178.86 1rhw h GLU 45 N 0.95 -0.61 -0.11 1.90 4.22 0.22 0.67 114.58 121.82 1rhw h GLU 45 Ca 0.21 0.04 -0.12 0.00 0.08 0.00 0.00 59.36 59.57 1rhw h GLU 45 Cb 0.29 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1rhw h GLU 45 CO -0.01 -0.41 -0.39 0.74 -2.18 0.00 0.00 179.01 176.77 1rhw h PHE 46 N -0.63 0.61 -0.62 0.92 -1.00 -1.06 -2.98 116.94 112.19 1rhw h PHE 46 Ca 0.02 -0.25 0.18 0.00 2.81 0.00 0.00 57.97 60.73 1rhw h PHE 46 Cb 0.66 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 40.09 1rhw h PHE 46 CO -0.34 1.00 0.62 -0.44 -1.61 0.00 0.00 178.31 177.54 1rhw h ASP 47 N 0.05 0.00 0.00 2.17 5.19 0.86 -2.25 116.42 122.44 1rhw h ASP 47 Ca -0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 1rhw h ASP 47 Cb 1.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.53 1rhw h ASP 47 CO 0.08 0.00 0.00 0.29 -3.12 0.00 0.00 179.24 176.49 1rhw n LYS 48 N -3.71 0.00 -3.26 3.56 5.02 0.21 -4.36 118.16 115.62 1rhw n LYS 48 Ca 0.12 0.15 -0.25 0.00 -2.02 0.00 0.00 58.31 56.32 1rhw n LYS 48 Cb 0.85 -0.69 -0.07 0.00 -0.02 0.00 0.00 35.03 35.09 1rhw n LYS 48 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1rhw n LYS 49 N -0.34 1.12 0.00 1.97 2.85 -1.13 -4.91 118.16 117.71 1rhw n LYS 49 Ca 0.00 -3.56 0.00 0.00 -1.05 0.00 0.00 58.31 53.70 1rhw n LYS 49 Cb 0.00 -1.48 0.00 0.00 -0.65 0.00 0.00 35.03 32.90 1rhw n LYS 49 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 1rhw n TYR 50 N 1.34 -0.07 -2.66 5.58 4.19 -0.86 -5.07 117.16 119.61 1rhw n TYR 50 Ca 0.23 0.01 -0.04 0.00 3.31 0.00 0.00 57.90 61.41 1rhw n TYR 50 Cb 0.50 0.43 0.07 0.00 0.49 0.00 0.00 39.34 40.83 1rhw n TYR 50 CO 0.00 0.00 0.00 -1.71 0.91 0.00 0.00 176.86 176.06 1rhw n ASN 51 N -2.53 -1.25 -4.82 2.98 2.85 -1.26 -5.08 115.26 106.16 1rhw n ASN 51 Ca 0.00 -1.65 -0.31 0.00 -0.11 0.00 0.00 54.58 52.51 1rhw n ASN 51 Cb 0.00 0.67 0.05 0.00 1.24 0.00 0.00 39.78 41.73 1rhw n ASN 51 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1rhw s PRO 52 N 0.16 2.98 0.13 1.20 0.04 -1.26 -4.47 135.00 133.78 1rhw s PRO 52 Ca 0.26 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.27 1rhw s PRO 52 Cb 0.20 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 1rhw s PRO 52 CO -0.08 -1.07 0.30 -0.08 0.04 0.00 0.00 177.00 176.11 1rhw s THR 53 N -3.00 5.30 0.41 1.26 -1.32 -1.26 -4.96 115.64 112.07 1rhw s THR 53 Ca 0.58 -0.44 0.08 0.00 -1.21 0.00 0.00 61.69 60.70 1rhw s THR 53 Cb -0.14 -3.69 -0.01 0.00 -1.51 0.00 0.00 72.50 67.15 1rhw s THR 53 CO 0.53 -0.03 0.44 0.26 -2.21 0.00 0.00 174.62 173.62 1rhw s TRP 54 N -1.69 2.77 -0.09 9.09 0.52 -1.26 -3.18 118.94 125.10 1rhw s TRP 54 Ca 0.36 -0.44 -0.03 0.00 0.02 0.00 0.00 56.10 56.01 1rhw s TRP 54 Cb -0.12 -2.21 0.04 0.00 -1.15 0.00 0.00 33.47 30.03 1rhw s TRP 54 CO 0.28 -0.20 0.09 -1.01 0.02 0.00 0.00 176.95 176.13 1rhw s HIS 55 N -2.41 0.05 -0.00 -1.98 3.76 0.37 -4.91 115.29 110.17 1rhw s HIS 55 Ca 0.50 0.15 0.04 0.00 -0.15 0.00 0.00 55.06 55.60 1rhw s HIS 55 Cb -0.06 -0.51 -0.03 0.00 1.11 0.00 0.00 32.58 33.09 1rhw s HIS 55 CO 0.30 -0.30 -0.11 0.00 -0.85 0.00 0.00 174.74 173.78 1rhw s ILE 57 N -0.92 1.19 0.33 0.00 -1.09 0.11 -4.91 121.20 115.92 1rhw s ILE 57 Ca 0.15 -1.46 0.06 0.00 -2.23 0.00 0.00 60.65 57.17 1rhw s ILE 57 Cb -0.11 -1.24 -0.02 0.00 -1.58 0.00 0.00 42.46 39.51 1rhw s ILE 57 CO 0.05 -0.29 0.21 0.55 -1.23 0.00 0.00 174.94 174.22 1rhw n VAL 58 N 1.01 0.00 0.00 2.92 3.14 -1.26 -1.73 118.33 122.41 1rhw n VAL 58 Ca -0.19 -2.19 0.00 0.00 -2.96 0.00 0.00 64.34 59.00 1rhw n VAL 58 Cb 0.55 0.97 0.00 0.00 -1.06 0.00 0.00 33.84 34.30 1rhw n VAL 58 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1rhw n GLY 59 N -0.56 0.47 0.64 7.55 0.00 -1.26 -4.78 105.19 107.25 1rhw n GLY 59 Ca 0.02 -0.93 -0.01 0.00 0.00 0.00 0.00 46.02 45.10 1rhw n GLY 59 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1rhw n ARG 60 N 0.00 0.00 -4.35 1.61 0.63 -1.26 -4.24 116.66 109.05 1rhw n ARG 60 Ca 0.00 -0.45 -0.18 0.00 -0.92 0.00 0.00 57.85 56.31 1rhw n ARG 60 Cb 0.00 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 32.81 1rhw n ARG 60 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1rhw s ASN 61 N -0.45 1.59 -0.37 6.15 4.22 -1.26 -5.08 114.94 119.74 1rhw s ASN 61 Ca 0.02 -1.35 0.05 0.00 -2.14 0.00 0.00 52.86 49.44 1rhw s ASN 61 Cb 0.02 0.08 0.17 0.00 1.28 0.00 0.00 41.25 42.80 1rhw s ASN 61 CO -0.01 -0.66 0.51 0.12 -2.04 0.00 0.00 177.10 175.02 1rhw s PHE 62 N -3.59 -1.19 -0.51 1.54 5.36 -1.26 -4.96 117.98 113.37 1rhw s PHE 62 Ca 0.36 0.02 0.05 0.00 -0.96 0.00 0.00 56.93 56.40 1rhw s PHE 62 Cb 0.08 0.02 0.19 0.00 -0.34 0.00 0.00 43.02 42.97 1rhw s PHE 62 CO 0.13 -1.07 0.45 0.41 -1.46 0.00 0.00 175.22 173.67 1rhw n GLY 63 N 4.61 3.00 2.68 13.12 0.00 -1.26 -4.95 105.19 122.39 1rhw n GLY 63 Ca 0.09 -1.83 -0.04 0.00 0.00 0.00 0.00 46.02 44.25 1rhw n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rhw n SER 64 N 2.19 -1.70 0.00 1.61 3.41 -1.26 -5.02 113.62 112.85 1rhw n SER 64 Ca 0.26 -1.33 0.00 0.00 -0.26 0.00 0.00 58.87 57.54 1rhw n SER 64 Cb 0.45 0.88 0.00 0.00 -0.26 0.00 0.00 64.21 65.27 1rhw n SER 64 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rhw n TYR 65 N 2.47 -1.44 -2.85 7.33 4.19 -1.26 -4.92 117.16 120.68 1rhw n TYR 65 Ca 0.11 0.00 -0.27 0.00 3.31 0.00 0.00 57.90 61.05 1rhw n TYR 65 Cb 0.65 0.29 -0.03 0.00 0.49 0.00 0.00 39.34 40.73 1rhw n TYR 65 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 1rhw n VAL 66 N -2.08 2.82 0.14 2.97 0.31 -1.26 -4.28 118.33 116.95 1rhw n VAL 66 Ca 0.00 -5.40 0.00 0.00 -0.01 0.00 0.00 64.34 58.93 1rhw n VAL 66 Cb 0.00 -1.32 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 1rhw n VAL 66 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1rhw n THR 67 N -0.28 0.00 -0.07 2.52 -1.04 -1.26 -4.97 114.28 109.18 1rhw n THR 67 Ca 0.32 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.26 1rhw n THR 67 Cb 0.46 -0.17 -0.10 0.00 -1.82 0.00 0.00 70.33 68.70 1rhw n THR 67 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1rhw n HIS 68 N -3.20 0.00 -1.44 -1.42 8.25 -1.26 -5.12 115.22 111.03 1rhw n HIS 68 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 1rhw n HIS 68 Cb 0.00 -0.63 -0.01 0.00 1.12 0.00 0.00 29.99 30.47 1rhw n HIS 68 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1rhw n GLU 69 N -2.56 -3.73 0.00 -0.41 1.02 -1.26 -5.08 120.64 108.62 1rhw n GLU 69 Ca -0.22 2.91 0.00 0.00 -0.02 0.00 0.00 57.16 59.83 1rhw n GLU 69 Cb 0.90 -3.69 0.00 0.00 -0.02 0.00 0.00 31.44 28.63 1rhw n GLU 69 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1rhw n THR 70 N -2.69 0.00 -0.06 2.62 -2.24 -1.26 -5.06 114.28 105.58 1rhw n THR 70 Ca -0.01 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.71 1rhw n THR 70 Cb 0.47 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.68 1rhw n THR 70 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1rhw n ARG 71 N 0.00 0.38 -3.65 -0.78 5.12 -0.53 -4.98 116.66 112.22 1rhw n ARG 71 Ca 0.00 0.22 -0.21 0.00 -1.93 0.00 0.00 57.85 55.93 1rhw n ARG 71 Cb 0.00 -1.25 -0.18 0.00 -1.16 0.00 0.00 32.46 29.87 1rhw n ARG 71 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1rhw s HIS 72 N -2.33 0.08 0.28 -1.55 3.76 -1.26 -4.94 115.29 109.34 1rhw s HIS 72 Ca -0.20 0.14 0.05 0.00 -0.15 0.00 0.00 55.06 54.90 1rhw s HIS 72 Cb 0.03 -0.52 -0.06 0.00 1.11 0.00 0.00 32.58 33.14 1rhw s HIS 72 CO 0.29 -0.27 0.00 -0.59 -0.85 0.00 0.00 174.74 173.32 1rhw s PHE 73 N 2.17 1.84 -0.30 1.40 -0.12 -1.26 -0.34 117.98 121.38 1rhw s PHE 73 Ca 0.04 -0.86 -0.11 0.00 -0.05 0.00 0.00 56.93 55.95 1rhw s PHE 73 Cb -0.13 -1.12 0.13 0.00 -0.63 0.00 0.00 43.02 41.27 1rhw s PHE 73 CO -0.05 0.08 0.67 -1.50 -0.05 0.00 0.00 175.22 174.38 1rhw s ILE 74 N -3.24 -0.86 -0.22 -4.49 2.07 0.77 -4.44 121.20 110.80 1rhw s ILE 74 Ca 0.32 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.53 1rhw s ILE 74 Cb 0.06 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.65 1rhw s ILE 74 CO 0.12 0.00 -0.07 -0.47 -1.91 0.00 0.00 174.94 172.61 1rhw s TYR 75 N 2.73 2.94 0.37 3.50 5.04 -0.43 -1.64 117.35 129.86 1rhw s TYR 75 Ca -0.06 -1.16 -0.06 0.00 -2.44 0.00 0.00 57.07 53.34 1rhw s TYR 75 Cb -0.11 -2.07 0.02 0.00 0.35 0.00 0.00 41.96 40.16 1rhw s TYR 75 CO -0.19 -0.63 0.59 1.97 -1.34 0.00 0.00 175.55 175.96 1rhw n PHE 76 N 4.75 -1.76 -3.66 4.97 -1.74 -0.50 -1.77 117.46 117.74 1rhw n PHE 76 Ca -0.18 -2.24 -0.36 0.00 -0.56 0.00 0.00 57.45 54.10 1rhw n PHE 76 Cb 0.50 0.68 -0.09 0.00 1.52 0.00 0.00 39.48 42.09 1rhw n PHE 76 CO 0.00 0.00 0.00 -0.47 -0.56 0.00 0.00 176.76 175.73 1rhw s TYR 77 N -2.64 3.34 -0.32 2.97 5.04 -0.83 -0.73 117.35 124.18 1rhw s TYR 77 Ca 0.25 0.26 -0.07 0.00 -2.44 0.00 0.00 57.07 55.07 1rhw s TYR 77 Cb -0.02 -2.26 0.02 0.00 0.35 0.00 0.00 41.96 40.05 1rhw s TYR 77 CO 0.18 0.10 0.11 -1.17 -1.34 0.00 0.00 175.55 173.44 1rhw s LEU 78 N 0.94 4.13 0.00 6.97 1.98 0.17 -3.68 118.68 129.19 1rhw s LEU 78 Ca 0.08 -0.86 0.00 0.00 -2.89 0.00 0.00 54.13 50.46 1rhw s LEU 78 Cb -0.13 -1.91 0.00 0.00 0.66 0.00 0.00 46.19 44.81 1rhw s LEU 78 CO 0.03 -0.26 0.00 0.61 -1.89 0.00 0.00 176.35 174.85 1rhw n GLY 79 N 4.88 0.83 0.85 7.98 0.00 -1.26 -1.04 105.19 117.42 1rhw n GLY 79 Ca -0.13 0.47 0.02 0.00 0.00 0.00 0.00 46.02 46.38 1rhw n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rhw n GLN 80 N 0.00 0.14 -4.25 1.61 10.64 -1.26 -4.59 117.38 119.67 1rhw n GLN 80 Ca 0.00 -1.56 -0.18 0.00 -1.83 0.00 0.00 57.00 53.43 1rhw n GLN 80 Cb 0.00 -0.42 -0.08 0.00 -0.86 0.00 0.00 30.24 28.89 1rhw n GLN 80 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 1rhw s VAL 81 N -0.30 0.00 0.25 -0.39 -7.23 -0.21 -5.17 120.40 107.36 1rhw s VAL 81 Ca 0.16 -1.94 0.01 0.00 -1.81 0.00 0.00 61.98 58.40 1rhw s VAL 81 Cb 0.18 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 1rhw s VAL 81 CO -0.06 0.00 0.42 0.00 -0.31 0.00 0.00 175.10 175.15 1rhw s ALA 82 N -3.47 3.82 -0.22 1.32 0.00 -1.26 0.44 121.76 122.39 1rhw s ALA 82 Ca 0.39 -0.96 -0.08 0.00 0.00 0.00 0.00 51.96 51.31 1rhw s ALA 82 Cb 0.02 -1.95 0.09 0.00 0.00 0.00 0.00 23.12 21.28 1rhw s ALA 82 CO 0.25 0.27 0.48 -1.50 0.00 0.00 0.00 175.76 175.25 1rhw s ILE 83 N -2.01 -0.56 -0.12 0.00 2.07 0.09 -4.30 121.20 116.36 1rhw s ILE 83 Ca 0.38 0.11 0.00 0.00 -1.41 0.00 0.00 60.65 59.73 1rhw s ILE 83 Cb -0.10 -0.74 0.02 0.00 0.13 0.00 0.00 42.46 41.77 1rhw s ILE 83 CO 0.31 0.05 -0.11 -1.48 -1.91 0.00 0.00 174.94 171.80 1rhw s LEU 84 N 2.39 1.41 0.14 8.50 0.05 -0.71 -1.41 118.68 129.06 1rhw s LEU 84 Ca -0.04 -0.38 0.10 0.00 0.05 0.00 0.00 54.13 53.86 1rhw s LEU 84 Cb -0.11 -0.98 -0.04 0.00 -2.05 0.00 0.00 46.19 43.01 1rhw s LEU 84 CO -0.14 -0.08 -0.22 -0.22 -0.55 0.00 0.00 176.35 175.14 1rhw s LEU 85 N 1.55 2.53 -0.10 1.48 0.20 -0.65 0.09 118.68 123.77 1rhw s LEU 85 Ca 0.04 -0.69 -0.28 0.00 0.69 0.00 0.00 54.13 53.89 1rhw s LEU 85 Cb -0.13 -1.37 0.07 0.00 -0.43 0.00 0.00 46.19 44.33 1rhw s LEU 85 CO -0.08 0.16 0.66 0.72 -0.29 0.00 0.00 176.35 177.52 1rhw s PHE 86 N -1.25 -0.66 -0.51 5.38 -0.71 0.09 -0.16 117.98 120.17 1rhw s PHE 86 Ca 0.17 1.25 -0.16 0.00 -1.04 0.00 0.00 56.93 57.16 1rhw s PHE 86 Cb -0.10 0.35 0.09 0.00 -1.21 0.00 0.00 43.02 42.16 1rhw s PHE 86 CO 0.09 -0.54 0.48 0.21 -1.34 0.00 0.00 175.22 174.12 1rhw s LYS 87 N -0.82 3.00 -0.04 1.99 2.47 0.54 -0.48 119.74 126.40 1rhw s LYS 87 Ca -0.08 -1.43 -0.07 0.00 -1.56 0.00 0.00 55.97 52.82 1rhw s LYS 87 Cb -0.01 -4.20 -0.02 0.00 -1.46 0.00 0.00 37.83 32.13 1rhw s LYS 87 CO 0.07 -1.20 -0.13 0.45 0.16 0.00 0.00 175.35 174.70 1rhw n SER 88 N 5.40 1.03 0.00 1.43 2.88 -1.25 -1.45 113.62 121.66 1rhw n SER 88 Ca -0.12 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1rhw n SER 88 Cb 0.42 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 1rhw n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42