#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rhw n SER 2 N 0.00 -2.26 -4.37 7.83 3.41 -1.26 -5.09 113.62 111.87 1rhw n SER 2 Ca 0.00 -2.92 -0.45 0.00 -0.26 0.00 0.00 58.87 55.24 1rhw n SER 2 Cb 0.00 1.05 -0.06 0.00 -0.26 0.00 0.00 64.21 64.94 1rhw n SER 2 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1rhw s ASP 3 N -0.40 6.18 -0.02 4.04 1.47 -1.26 -4.80 116.67 121.88 1rhw s ASP 3 Ca 0.32 -1.40 0.22 0.00 1.18 0.00 0.00 52.55 52.86 1rhw s ASP 3 Cb 0.11 -2.24 0.37 0.00 -0.34 0.00 0.00 42.92 40.82 1rhw s ASP 3 CO -0.15 -0.87 1.15 0.54 0.68 0.00 0.00 175.17 176.52 1rhw n ARG 4 N 5.67 0.15 -0.73 2.11 1.74 -1.26 -5.12 116.66 119.23 1rhw n ARG 4 Ca -0.11 -1.95 -0.33 0.00 -0.77 0.00 0.00 57.85 54.69 1rhw n ARG 4 Cb 0.43 -0.04 0.15 0.00 -1.02 0.00 0.00 32.46 31.98 1rhw n ARG 4 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1rhw n LYS 5 N 0.31 -1.18 -1.84 5.56 3.00 -1.26 -4.72 118.16 118.03 1rhw n LYS 5 Ca 0.00 -0.32 -0.38 0.00 -0.00 0.00 0.00 58.31 57.61 1rhw n LYS 5 Cb 1.05 -1.68 -0.03 0.00 0.00 0.00 0.00 35.03 34.37 1rhw n LYS 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1rhw s ALA 6 N -2.25 2.05 0.64 3.14 0.00 -1.26 -4.84 121.76 119.23 1rhw s ALA 6 Ca 0.55 -0.25 -0.08 0.00 0.00 0.00 0.00 51.96 52.18 1rhw s ALA 6 Cb -0.13 -4.28 0.02 0.00 0.00 0.00 0.00 23.12 18.73 1rhw s ALA 6 CO 0.67 -3.95 0.97 0.08 0.00 0.00 0.00 175.76 173.53 1rhw s VAL 7 N 10.03 3.45 -0.04 0.00 1.01 -1.25 -5.04 120.40 128.56 1rhw s VAL 7 Ca 0.81 0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.87 1rhw s VAL 7 Cb -0.16 -3.41 0.02 0.00 0.00 0.00 0.00 36.38 32.83 1rhw s VAL 7 CO 0.24 -0.46 0.10 -0.63 0.00 0.00 0.00 175.10 174.35 1rhw s ILE 8 N -3.13 -0.01 0.00 2.22 1.09 -1.26 -3.37 121.20 116.73 1rhw s ILE 8 Ca 0.56 0.05 0.00 0.00 -1.10 0.00 0.00 60.65 60.15 1rhw s ILE 8 Cb -0.11 -0.15 0.00 0.00 -1.06 0.00 0.00 42.46 41.14 1rhw s ILE 8 CO 0.47 0.02 0.00 0.29 -0.10 0.00 0.00 174.94 175.62 1rhw n LYS 9 N 3.32 0.00 -3.98 2.79 4.01 -1.05 -4.96 118.16 118.28 1rhw n LYS 9 Ca -0.16 0.00 -0.35 0.00 -0.51 0.00 0.00 58.31 57.29 1rhw n LYS 9 Cb 0.57 0.00 -0.14 0.00 -0.51 0.00 0.00 35.03 34.95 1rhw n LYS 9 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 1rhw s ASN 10 N -1.00 4.20 -0.45 4.39 2.47 -1.03 -5.00 114.94 118.52 1rhw s ASN 10 Ca 0.00 -0.40 0.07 0.00 0.42 0.00 0.00 52.86 52.95 1rhw s ASN 10 Cb 0.00 -1.71 0.27 0.00 -1.45 0.00 0.00 41.25 38.35 1rhw s ASN 10 CO 0.00 -0.00 0.84 0.00 -3.72 0.00 0.00 177.10 174.22 1rhw n ALA 11 N 4.69 -0.21 -1.54 1.71 0.00 -1.26 -1.31 120.51 122.59 1rhw n ALA 11 Ca -0.18 -2.00 -0.35 0.00 0.00 0.00 0.00 53.44 50.91 1rhw n ALA 11 Cb 0.51 -1.16 -0.06 0.00 0.00 0.00 0.00 19.45 18.74 1rhw n ALA 11 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1rhw n ASP 12 N 1.25 1.76 -3.43 0.00 9.92 -1.26 -4.79 116.55 120.00 1rhw n ASP 12 Ca 0.12 -0.43 -0.04 0.00 -0.53 0.00 0.00 54.79 53.91 1rhw n ASP 12 Cb 0.62 -1.43 0.01 0.00 -0.64 0.00 0.00 41.12 39.69 1rhw n ASP 12 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1rhw s MET 13 N 8.47 1.47 0.17 -1.24 1.75 -1.26 -4.84 119.30 123.82 1rhw s MET 13 Ca 1.07 -0.90 -0.14 0.00 -1.25 0.00 0.00 55.69 54.47 1rhw s MET 13 Cb -0.42 0.44 -0.07 0.00 2.84 0.00 0.00 34.83 37.62 1rhw s MET 13 CO 0.31 -0.68 0.57 0.45 -0.65 0.00 0.00 175.02 175.01 1rhw s SER 14 N -3.17 6.81 0.64 1.11 0.15 -1.26 -4.85 113.70 113.12 1rhw s SER 14 Ca 0.17 1.09 0.22 0.00 0.70 0.00 0.00 55.95 58.13 1rhw s SER 14 Cb -0.03 -2.29 1.09 0.00 -1.71 0.00 0.00 66.02 63.09 1rhw s SER 14 CO 0.06 0.06 1.60 -0.08 1.20 0.00 0.00 173.24 176.07 1rhw h GLU 15 N 3.34 0.00 0.66 5.44 4.81 -1.97 0.41 114.58 127.26 1rhw h GLU 15 Ca -0.48 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.72 1rhw h GLU 15 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1rhw h GLU 15 CO 0.66 0.00 -0.35 1.49 -0.73 0.00 0.00 179.01 180.09 1rhw h GLU 16 N 0.00 -0.89 0.06 1.92 4.81 -1.97 0.65 114.58 119.16 1rhw h GLU 16 Ca 0.13 0.06 -0.24 0.00 -0.13 0.00 0.00 59.36 59.18 1rhw h GLU 16 Cb 1.47 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 31.04 1rhw h GLU 16 CO -0.00 -0.59 -1.11 1.98 -0.73 0.00 0.00 179.01 178.56 1rhw h MET 17 N -0.92 0.15 -0.29 1.92 4.05 -1.49 -1.66 114.93 116.70 1rhw h MET 17 Ca -0.09 -0.24 -0.03 0.00 -0.28 0.00 0.00 59.70 59.06 1rhw h MET 17 Cb 0.72 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.59 1rhw h MET 17 CO 0.13 1.10 0.05 0.37 0.23 0.00 0.00 176.91 178.79 1rhw h GLN 18 N 0.04 0.47 0.12 0.39 5.75 -0.30 0.54 115.11 122.12 1rhw h GLN 18 Ca -0.07 -0.12 -0.01 0.00 -0.15 0.00 0.00 58.65 58.30 1rhw h GLN 18 Cb 1.84 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 30.34 1rhw h GLN 18 CO 0.17 0.57 -0.06 0.37 -2.65 0.00 0.00 178.83 177.23 1rhw h GLN 19 N 0.29 -0.15 -0.19 1.69 -0.00 0.23 -0.44 115.11 116.54 1rhw h GLN 19 Ca 0.09 0.01 0.04 0.00 -0.00 0.00 0.00 58.65 58.79 1rhw h GLN 19 Cb 0.32 0.03 -0.04 0.00 0.00 0.00 0.00 27.48 27.80 1rhw h GLN 19 CO 0.00 0.33 -0.07 0.22 0.00 0.00 0.00 178.83 179.31 1rhw h ASP 20 N -0.75 -0.25 0.00 -0.69 3.58 -1.33 0.24 116.42 117.23 1rhw h ASP 20 Ca -0.02 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1rhw h ASP 20 Cb 0.55 0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.74 1rhw h ASP 20 CO 0.03 -0.10 0.00 0.00 -2.88 0.00 0.00 179.24 176.29 1rhw n ALA 21 N -2.44 -0.41 -0.28 -0.78 0.00 0.19 -1.55 120.51 115.23 1rhw n ALA 21 Ca -0.02 0.00 0.33 0.00 0.00 0.00 0.00 53.44 53.75 1rhw n ALA 21 Cb 0.15 0.06 0.59 0.00 0.00 0.00 0.00 19.45 20.24 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 0.08 0.59 0.00 3.04 -1.01 0.92 116.25 119.87 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 0.13 0.01 0.00 -2.01 0.00 0.00 31.29 29.41 1rhw h VAL 22 CO 0.00 0.00 -0.28 -0.78 -1.01 0.00 0.00 177.57 175.50 1rhw h ASP 23 N 0.00 -0.67 -0.61 3.17 3.58 0.55 0.61 116.42 123.05 1rhw h ASP 23 Ca 0.55 -0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.92 1rhw h ASP 23 Cb 2.80 0.17 -0.03 0.00 1.72 0.00 0.00 39.33 44.00 1rhw h ASP 23 CO -0.01 -0.31 0.21 0.00 -2.88 0.00 0.00 179.24 176.24 1rhw n ALA 25 N -2.45 -0.35 -0.20 0.00 0.00 0.12 0.30 120.51 117.92 1rhw n ALA 25 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.48 1rhw n ALA 25 Cb 0.21 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.71 1rhw n ALA 25 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1rhw h THR 26 N 0.00 0.40 -0.73 0.00 2.02 0.21 0.23 112.91 115.04 1rhw h THR 26 Ca 0.00 -0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.29 1rhw h THR 26 Cb 0.00 0.40 -0.08 0.00 -1.74 0.00 0.00 68.15 66.73 1rhw h THR 26 CO 0.00 0.00 0.35 -0.61 0.37 0.00 0.00 175.52 175.63 1rhw h GLN 27 N 0.00 0.55 0.13 6.66 4.15 -0.36 0.36 115.11 126.61 1rhw h GLN 27 Ca 0.29 -0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.69 1rhw h GLN 27 Cb 0.44 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.97 1rhw h GLN 27 CO -0.62 0.37 -0.25 0.00 -1.93 0.00 0.00 178.83 176.40 1rhw h ALA 28 N 1.46 -0.43 0.00 3.38 0.00 0.31 0.36 119.26 124.34 1rhw h ALA 28 Ca 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1rhw h ALA 28 Cb 0.44 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1rhw h ALA 28 CO -0.30 -0.78 0.00 -0.11 0.00 0.00 0.00 179.25 178.05 1rhw n LEU 29 N -5.37 0.56 -1.06 0.00 7.94 -0.49 0.21 117.00 118.80 1rhw n LEU 29 Ca -0.07 0.68 0.12 0.00 -1.11 0.00 0.00 56.01 55.63 1rhw n LEU 29 Cb 0.28 -0.66 0.22 0.00 0.53 0.00 0.00 43.42 43.79 1rhw n LEU 29 CO 0.26 -0.67 0.70 1.21 -1.11 0.00 0.00 177.39 177.78 1rhw n GLU 30 N -2.17 2.40 0.04 1.96 0.00 0.12 -4.52 120.64 118.46 1rhw n GLU 30 Ca 0.01 -2.10 0.00 0.00 0.00 0.00 0.00 57.16 55.07 1rhw n GLU 30 Cb 0.15 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.09 1rhw n GLU 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1rhw n LYS 31 N 1.34 0.00 -3.53 5.31 4.81 0.91 -4.99 118.16 122.01 1rhw n LYS 31 Ca 0.18 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.39 1rhw n LYS 31 Cb 0.58 -0.24 -0.01 0.00 0.02 0.00 0.00 35.03 35.37 1rhw n LYS 31 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1rhw s TYR 32 N -2.00 3.49 -0.06 5.64 1.51 0.56 -5.02 117.35 121.48 1rhw s TYR 32 Ca 0.00 0.26 0.07 0.00 -1.01 0.00 0.00 57.07 56.39 1rhw s TYR 32 Cb 0.00 -1.82 -0.09 0.00 -0.11 0.00 0.00 41.96 39.94 1rhw s TYR 32 CO 0.00 0.21 0.06 -1.71 -1.11 0.00 0.00 175.55 172.99 1rhw n ASN 33 N -1.65 3.24 -4.56 2.29 5.15 -1.26 -4.33 115.26 114.15 1rhw n ASN 33 Ca -0.06 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.50 1rhw n ASN 33 Cb 0.56 0.83 -0.01 0.00 -0.53 0.00 0.00 39.78 40.63 1rhw n ASN 33 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1rhw s ILE 34 N -2.25 4.15 0.25 -1.44 1.01 -1.26 -4.82 121.20 116.84 1rhw s ILE 34 Ca -0.03 -1.51 0.07 0.00 0.00 0.00 0.00 60.65 59.18 1rhw s ILE 34 Cb 0.03 -5.10 0.30 0.00 0.01 0.00 0.00 42.46 37.69 1rhw s ILE 34 CO 0.30 -1.94 1.20 1.21 0.00 0.00 0.00 174.94 175.71 1rhw n GLU 35 N 8.28 -0.05 -0.21 2.79 0.00 -1.26 0.22 120.64 130.41 1rhw n GLU 35 Ca 0.41 1.10 -0.02 0.00 0.00 0.00 0.00 57.16 58.65 1rhw n GLU 35 Cb 0.48 -1.84 0.04 0.00 0.00 0.00 0.00 31.44 30.12 1rhw n GLU 35 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1rhw h LYS 36 N 0.00 -0.07 0.00 5.31 3.64 -1.99 1.29 116.57 124.75 1rhw h LYS 36 Ca 0.54 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.86 1rhw h LYS 36 Cb 1.26 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 1rhw h LYS 36 CO -0.66 -0.05 -0.29 0.22 -2.27 0.00 0.00 179.45 176.40 1rhw h ASP 37 N -0.08 0.00 0.10 4.20 1.82 0.23 -0.63 116.42 122.06 1rhw h ASP 37 Ca 0.28 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.92 1rhw h ASP 37 Cb 0.52 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.53 1rhw h ASP 37 CO -0.68 0.29 -0.05 0.40 -1.61 0.00 0.00 179.24 177.59 1rhw h ILE 38 N 0.00 0.00 -0.96 2.25 2.04 0.29 0.55 117.51 121.68 1rhw h ILE 38 Ca -0.00 -0.06 0.13 0.00 1.00 0.00 0.00 64.86 65.92 1rhw h ILE 38 Cb 0.79 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.80 1rhw h ILE 38 CO 0.04 0.00 0.61 0.00 0.00 0.00 0.00 178.15 178.80 1rhw h ALA 39 N -1.88 1.63 -0.11 1.87 0.00 0.47 0.55 119.26 121.79 1rhw h ALA 39 Ca -0.01 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1rhw h ALA 39 Cb 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1rhw h ALA 39 CO 0.02 0.13 -0.29 0.00 0.00 0.00 0.00 179.25 179.11 1rhw h ALA 40 N 1.56 1.31 0.02 0.00 0.00 -1.14 -1.41 119.26 119.60 1rhw h ALA 40 Ca 0.48 -0.32 -0.21 0.00 0.00 0.00 0.00 54.91 54.85 1rhw h ALA 40 Cb 0.56 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1rhw h ALA 40 CO -0.24 0.48 -0.94 -0.92 0.00 0.00 0.00 179.25 177.63 1rhw h TYR 41 N 0.18 0.41 0.17 0.00 5.03 0.47 -1.41 116.97 121.82 1rhw h TYR 41 Ca 0.03 -0.23 -0.01 0.00 2.58 0.00 0.00 58.73 61.10 1rhw h TYR 41 Cb 0.61 -0.04 0.00 0.00 1.55 0.00 0.00 36.73 38.85 1rhw h TYR 41 CO 0.01 1.06 -0.08 0.82 -1.32 0.00 0.00 178.16 178.65 1rhw h ILE 42 N 0.14 0.94 -0.18 1.81 2.04 0.18 0.63 117.51 123.08 1rhw h ILE 42 Ca -0.06 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.16 1rhw h ILE 42 Cb 1.58 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 1rhw h ILE 42 CO 0.15 0.15 0.11 0.50 0.00 0.00 0.00 178.15 179.05 1rhw h LYS 43 N -0.55 0.24 -0.78 2.37 3.11 -1.35 -0.02 116.57 119.59 1rhw h LYS 43 Ca -0.02 -0.02 0.01 0.00 -2.81 0.00 0.00 60.65 57.81 1rhw h LYS 43 Cb 0.41 -0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 31.55 1rhw h LYS 43 CO 0.04 0.20 0.52 -0.22 -2.81 0.00 0.00 179.45 177.18 1rhw h LYS 44 N 0.20 1.01 -0.42 1.90 3.64 -1.22 0.75 116.57 122.43 1rhw h LYS 44 Ca 0.06 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1rhw h LYS 44 Cb 0.03 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.59 1rhw h LYS 44 CO -0.01 0.67 0.21 1.49 -2.27 0.00 0.00 179.45 179.54 1rhw h GLU 45 N 1.04 0.42 0.02 1.90 4.81 0.83 -0.04 114.58 123.56 1rhw h GLU 45 Ca 0.29 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1rhw h GLU 45 Cb -0.09 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.20 1rhw h GLU 45 CO -0.08 0.28 -0.01 0.74 -0.73 0.00 0.00 179.01 179.21 1rhw h PHE 46 N 0.43 -0.03 -1.04 0.92 -1.00 -0.35 -3.28 116.94 112.59 1rhw h PHE 46 Ca 0.18 -0.00 0.38 0.00 2.81 0.00 0.00 57.97 61.34 1rhw h PHE 46 Cb 0.08 0.01 -0.13 0.00 3.61 0.00 0.00 35.95 39.52 1rhw h PHE 46 CO -0.10 -0.02 0.63 -0.40 -1.61 0.00 0.00 178.31 176.82 1rhw n ASP 47 N -2.22 0.22 0.00 2.17 5.75 0.25 -1.88 116.55 120.85 1rhw n ASP 47 Ca -0.00 1.26 0.00 0.00 -0.01 0.00 0.00 54.79 56.04 1rhw n ASP 47 Cb 0.01 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 39.48 1rhw n ASP 47 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1rhw n LYS 48 N -4.60 0.00 -3.29 0.11 3.00 -0.03 -3.58 118.16 109.78 1rhw n LYS 48 Ca 0.33 0.20 -0.25 0.00 -0.00 0.00 0.00 58.31 58.59 1rhw n LYS 48 Cb 1.23 -0.50 -0.07 0.00 0.00 0.00 0.00 35.03 35.69 1rhw n LYS 48 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1rhw n LYS 49 N -0.54 1.71 0.00 1.64 4.81 -0.79 -4.87 118.16 120.13 1rhw n LYS 49 Ca 0.00 -3.99 0.00 0.00 -0.87 0.00 0.00 58.31 53.45 1rhw n LYS 49 Cb 0.00 -1.78 0.00 0.00 0.02 0.00 0.00 35.03 33.27 1rhw n LYS 49 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1rhw n TYR 50 N 1.01 -0.44 -2.67 5.64 4.19 -0.97 -5.05 117.16 118.87 1rhw n TYR 50 Ca 0.26 0.02 -0.04 0.00 3.31 0.00 0.00 57.90 61.45 1rhw n TYR 50 Cb 0.47 0.52 0.06 0.00 0.49 0.00 0.00 39.34 40.88 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 -1.38 -4.82 2.98 2.85 -1.26 -5.04 115.26 106.06 1rhw n ASN 51 Ca 0.00 -1.52 -0.31 0.00 -0.11 0.00 0.00 54.58 52.64 1rhw n ASN 51 Cb 0.00 0.74 0.05 0.00 1.24 0.00 0.00 39.78 41.80 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 0.42 2.96 0.13 1.20 0.04 -1.25 -4.50 135.00 134.01 1rhw s PRO 52 Ca 0.25 0.96 0.02 0.00 0.04 0.00 0.00 61.00 62.28 1rhw s PRO 52 Cb 0.18 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 1rhw s PRO 52 CO -0.09 -1.08 0.27 -0.08 0.04 0.00 0.00 177.00 176.06 1rhw s THR 53 N -3.02 5.34 0.36 1.26 -1.32 -1.26 -4.95 115.64 112.05 1rhw s THR 53 Ca 0.58 -0.63 0.07 0.00 -1.21 0.00 0.00 61.69 60.50 1rhw s THR 53 Cb -0.14 -3.72 -0.02 0.00 -1.51 0.00 0.00 72.50 67.10 1rhw s THR 53 CO 0.54 -0.05 0.35 0.26 -2.21 0.00 0.00 174.62 173.51 1rhw s TRP 54 N -1.70 2.86 -0.13 9.09 0.52 -1.26 -3.32 118.94 124.99 1rhw s TRP 54 Ca 0.35 -0.36 -0.04 0.00 0.02 0.00 0.00 56.10 56.07 1rhw s TRP 54 Cb -0.11 -1.96 0.06 0.00 -1.15 0.00 0.00 33.47 30.30 1rhw s TRP 54 CO 0.28 0.04 0.11 -1.01 0.02 0.00 0.00 176.95 176.40 1rhw s HIS 55 N -2.34 0.03 0.03 -1.98 3.76 0.18 -4.90 115.29 110.07 1rhw s HIS 55 Ca 0.44 0.05 0.04 0.00 -0.15 0.00 0.00 55.06 55.44 1rhw s HIS 55 Cb -0.06 -0.52 -0.04 0.00 1.11 0.00 0.00 32.58 33.08 1rhw s HIS 55 CO 0.28 -0.41 -0.05 0.00 -0.85 0.00 0.00 174.74 173.71 1rhw s ILE 57 N -1.09 0.78 -0.35 0.00 1.01 0.19 -4.94 121.20 116.79 1rhw s ILE 57 Ca 0.19 -1.73 -0.00 0.00 0.00 0.00 0.00 60.65 59.11 1rhw s ILE 57 Cb -0.11 -1.44 0.12 0.00 0.01 0.00 0.00 42.46 41.04 1rhw s ILE 57 CO 0.11 -0.70 0.16 0.54 0.00 0.00 0.00 174.94 175.05 1rhw s VAL 58 N -2.92 0.74 0.00 2.92 0.11 -1.26 -1.51 120.40 118.48 1rhw s VAL 58 Ca 0.07 -1.70 0.00 0.00 -2.93 0.00 0.00 61.98 57.42 1rhw s VAL 58 Cb 0.00 -1.55 0.00 0.00 -1.53 0.00 0.00 36.38 33.31 1rhw s VAL 58 CO -0.02 -0.81 0.00 0.61 -3.33 0.00 0.00 175.10 171.55 1rhw n GLY 59 N 4.37 0.97 0.52 6.54 0.00 -1.26 -5.01 105.19 111.32 1rhw n GLY 59 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1rhw n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rhw n ARG 60 N 0.00 0.00 -1.32 1.61 1.74 -1.26 -4.50 116.66 112.93 1rhw n ARG 60 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1rhw n ARG 60 Cb 0.00 -0.07 0.00 0.00 -1.02 0.00 0.00 32.46 31.37 1rhw n ARG 60 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1rhw n ASN 61 N -1.76 1.01 -3.74 0.55 4.13 -1.26 -4.85 115.26 109.34 1rhw n ASN 61 Ca 0.00 -0.88 -0.33 0.00 1.68 0.00 0.00 54.58 55.05 1rhw n ASN 61 Cb 0.00 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.18 1rhw n ASN 61 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 1rhw n PHE 62 N -0.44 3.38 0.00 3.10 -1.74 -1.26 -4.72 117.46 115.78 1rhw n PHE 62 Ca 0.00 -3.76 0.00 0.00 -0.56 0.00 0.00 57.45 53.13 1rhw n PHE 62 Cb 0.00 -0.85 0.00 0.00 1.52 0.00 0.00 39.48 40.15 1rhw n PHE 62 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1rhw n GLY 63 N 1.32 0.95 0.13 4.97 0.00 -1.26 -3.66 105.19 107.64 1rhw n GLY 63 Ca 0.27 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 1rhw n GLY 63 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1rhw h SER 64 N 0.00 0.32 0.00 1.61 0.02 -2.02 -3.47 113.55 110.00 1rhw h SER 64 Ca 0.00 -0.83 0.00 0.00 -0.84 0.00 0.00 61.79 60.12 1rhw h SER 64 Cb 0.00 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.44 1rhw h SER 64 CO 0.00 1.75 0.00 0.00 -1.14 0.00 0.00 176.83 177.44 1rhw n TYR 65 N -3.76 0.00 -1.14 3.45 9.36 -1.24 -4.16 117.16 119.67 1rhw n TYR 65 Ca -0.31 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 60.62 1rhw n TYR 65 Cb 0.95 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.59 1rhw n TYR 65 CO 0.00 0.00 0.00 1.55 0.22 0.00 0.00 176.86 178.63 1rhw n VAL 66 N 0.00 3.68 0.21 2.97 3.14 -1.26 -1.74 118.33 125.34 1rhw n VAL 66 Ca 0.00 -2.11 0.00 0.00 -2.96 0.00 0.00 64.34 59.27 1rhw n VAL 66 Cb 0.00 -2.37 0.00 0.00 -1.06 0.00 0.00 33.84 30.41 1rhw n VAL 66 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 1rhw n THR 67 N 3.30 0.00 -0.09 1.55 -1.04 -1.26 -4.97 114.28 111.77 1rhw n THR 67 Ca 0.64 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.54 1rhw n THR 67 Cb 0.42 -0.13 -0.12 0.00 -1.82 0.00 0.00 70.33 68.68 1rhw n THR 67 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1rhw n HIS 68 N -3.47 0.00 -1.56 -1.42 -0.00 -1.23 -5.11 115.22 102.43 1rhw n HIS 68 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.76 1rhw n HIS 68 Cb 0.00 -0.82 -0.02 0.00 -0.00 0.00 0.00 29.99 29.15 1rhw n HIS 68 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1rhw n GLU 69 N -2.84 -3.91 0.00 1.57 1.02 -0.71 -5.07 120.64 110.70 1rhw n GLU 69 Ca -0.32 3.07 0.00 0.00 -0.02 0.00 0.00 57.16 59.89 1rhw n GLU 69 Cb 0.98 -3.96 0.00 0.00 -0.02 0.00 0.00 31.44 28.44 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 -3.00 0.00 0.00 2.62 -2.24 -1.26 -5.07 114.28 105.34 1rhw n THR 70 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1rhw n THR 70 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 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 0.00 -4.07 -0.78 5.12 -0.97 -5.00 116.66 110.97 1rhw n ARG 71 Ca 0.00 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.60 1rhw n ARG 71 Cb 0.00 -0.19 -0.15 0.00 -1.16 0.00 0.00 32.46 30.96 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 -0.88 3.23 0.15 -1.55 3.76 -1.26 -4.95 115.29 113.80 1rhw s HIS 72 Ca 0.00 -2.26 0.02 0.00 -0.15 0.00 0.00 55.06 52.68 1rhw s HIS 72 Cb 0.00 -1.94 -0.05 0.00 1.11 0.00 0.00 32.58 31.71 1rhw s HIS 72 CO 0.00 -0.87 -0.03 -0.59 -0.85 0.00 0.00 174.74 172.40 1rhw s PHE 73 N 1.12 1.16 -0.30 1.40 -0.71 -1.26 -0.37 117.98 119.03 1rhw s PHE 73 Ca -0.08 -0.95 -0.11 0.00 -1.04 0.00 0.00 56.93 54.75 1rhw s PHE 73 Cb -0.19 -0.65 0.12 0.00 -1.21 0.00 0.00 43.02 41.08 1rhw s PHE 73 CO -0.05 -0.14 0.66 -1.50 -1.34 0.00 0.00 175.22 172.85 1rhw s ILE 74 N -3.58 -0.78 -0.21 -4.49 2.07 0.15 -4.52 121.20 109.84 1rhw s ILE 74 Ca 0.20 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.41 1rhw s ILE 74 Cb 0.05 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.64 1rhw s ILE 74 CO 0.02 0.00 -0.06 -0.47 -1.91 0.00 0.00 174.94 172.51 1rhw s TYR 75 N 2.62 2.93 0.36 3.50 5.04 -0.43 -1.65 117.35 129.72 1rhw s TYR 75 Ca -0.07 -0.96 -0.04 0.00 -2.44 0.00 0.00 57.07 53.56 1rhw s TYR 75 Cb -0.10 -2.06 0.02 0.00 0.35 0.00 0.00 41.96 40.16 1rhw s TYR 75 CO -0.19 -0.53 0.54 1.97 -1.34 0.00 0.00 175.55 176.00 1rhw n PHE 76 N 4.65 -1.63 -3.96 4.97 -1.74 -0.56 -2.46 117.46 116.74 1rhw n PHE 76 Ca -0.18 -2.25 -0.34 0.00 -0.56 0.00 0.00 57.45 54.11 1rhw n PHE 76 Cb 0.51 0.62 -0.14 0.00 1.52 0.00 0.00 39.48 41.99 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 -2.81 3.15 -0.28 2.97 5.04 -1.22 -0.85 117.35 123.35 1rhw s TYR 77 Ca 0.26 -1.76 -0.22 0.00 -2.44 0.00 0.00 57.07 52.91 1rhw s TYR 77 Cb -0.02 -2.05 -0.01 0.00 0.35 0.00 0.00 41.96 40.23 1rhw s TYR 77 CO 0.19 -0.78 0.74 -0.51 -1.34 0.00 0.00 175.55 173.85 1rhw s LEU 78 N 1.27 4.09 0.00 6.97 1.43 0.18 -3.75 118.68 128.87 1rhw s LEU 78 Ca -0.03 0.71 0.00 0.00 -1.03 0.00 0.00 54.13 53.78 1rhw s LEU 78 Cb -0.18 -3.01 0.00 0.00 0.03 0.00 0.00 46.19 43.03 1rhw s LEU 78 CO -0.04 -0.52 0.00 0.61 0.23 0.00 0.00 176.35 176.63 1rhw n GLY 79 N 4.14 0.26 2.16 -3.19 0.00 -1.26 -0.37 105.19 106.92 1rhw n GLY 79 Ca 0.02 0.74 -0.01 0.00 0.00 0.00 0.00 46.02 46.78 1rhw n GLY 79 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1rhw n GLN 80 N 0.00 0.92 -3.92 1.61 0.00 -1.26 -4.98 117.38 109.76 1rhw n GLN 80 Ca 0.00 -2.20 -0.09 0.00 -0.00 0.00 0.00 57.00 54.71 1rhw n GLN 80 Cb 0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 30.24 29.76 1rhw n GLN 80 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1rhw s VAL 81 N -1.33 0.14 0.26 1.69 1.01 0.50 -5.16 120.40 117.51 1rhw s VAL 81 Ca 0.20 -1.19 -0.11 0.00 0.00 0.00 0.00 61.98 60.88 1rhw s VAL 81 Cb 0.32 -1.12 -0.08 0.00 0.00 0.00 0.00 36.38 35.50 1rhw s VAL 81 CO -0.09 -0.66 0.61 0.00 0.00 0.00 0.00 175.10 174.96 1rhw s ALA 82 N -3.17 3.49 -0.19 5.51 0.00 -1.26 0.47 121.76 126.62 1rhw s ALA 82 Ca -0.00 -0.18 -0.07 0.00 0.00 0.00 0.00 51.96 51.70 1rhw s ALA 82 Cb 0.02 -2.53 0.08 0.00 0.00 0.00 0.00 23.12 20.69 1rhw s ALA 82 CO -0.07 0.45 0.40 -1.50 0.00 0.00 0.00 175.76 175.04 1rhw s ILE 83 N -1.87 -0.55 -0.23 0.00 2.07 -0.03 -4.17 121.20 116.41 1rhw s ILE 83 Ca 0.49 0.17 0.01 0.00 -1.41 0.00 0.00 60.65 59.92 1rhw s ILE 83 Cb -0.11 -0.64 0.06 0.00 0.13 0.00 0.00 42.46 41.90 1rhw s ILE 83 CO 0.20 0.07 -0.08 -0.22 -1.91 0.00 0.00 174.94 173.00 1rhw s LEU 84 N 2.44 2.78 -0.02 8.50 2.96 -0.57 -1.49 118.68 133.28 1rhw s LEU 84 Ca -0.02 -1.18 0.02 0.00 -0.22 0.00 0.00 54.13 52.72 1rhw s LEU 84 Cb -0.12 -1.31 -0.03 0.00 0.50 0.00 0.00 46.19 45.23 1rhw s LEU 84 CO -0.12 -0.20 -0.03 -0.22 -1.32 0.00 0.00 176.35 174.45 1rhw s LEU 85 N 1.30 3.34 -0.15 -0.68 0.20 -0.66 -0.63 118.68 121.39 1rhw s LEU 85 Ca -0.06 -0.04 -0.27 0.00 0.69 0.00 0.00 54.13 54.45 1rhw s LEU 85 Cb -0.19 -1.87 0.07 0.00 -0.43 0.00 0.00 46.19 43.77 1rhw s LEU 85 CO -0.06 0.31 0.68 0.72 -0.29 0.00 0.00 176.35 177.70 1rhw s PHE 86 N -0.98 -0.70 -0.31 5.38 -0.71 -0.17 0.30 117.98 120.79 1rhw s PHE 86 Ca 0.17 1.47 -0.11 0.00 -1.04 0.00 0.00 56.93 57.41 1rhw s PHE 86 Cb -0.11 0.33 -0.02 0.00 -1.21 0.00 0.00 43.02 42.00 1rhw s PHE 86 CO 0.07 -0.49 0.20 0.21 -1.34 0.00 0.00 175.22 173.87 1rhw s LYS 87 N -0.43 3.59 -0.14 1.99 2.36 0.50 0.51 119.74 128.12 1rhw s LYS 87 Ca -0.06 -0.56 -0.03 0.00 -2.55 0.00 0.00 55.97 52.77 1rhw s LYS 87 Cb -0.03 -3.68 0.05 0.00 -1.05 0.00 0.00 37.83 33.12 1rhw s LYS 87 CO 0.05 -0.35 0.03 -1.54 1.55 0.00 0.00 175.35 175.10 1rhw s SER 88 N 1.70 2.30 0.00 1.43 1.04 -1.21 -2.28 113.70 116.68 1rhw s SER 88 Ca 0.06 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.99 1rhw s SER 88 Cb -0.17 -0.47 0.00 0.00 0.10 0.00 0.00 66.02 65.48 1rhw s SER 88 CO 0.09 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.65