#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsd n ASN 3 N 0.00 0.00 0.00 8.00 5.15 -1.26 -5.19 115.26 121.96 1xsd n ASN 3 Ca 0.00 -0.84 0.00 0.00 -0.60 0.00 0.00 54.58 53.14 1xsd n ASN 3 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1xsd n ASN 3 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1xsd n LYS 4 N 0.00 1.80 -1.64 1.20 5.02 -1.26 -5.09 118.16 118.20 1xsd n LYS 4 Ca 0.00 0.00 -0.64 0.00 -2.02 0.00 0.00 58.31 55.65 1xsd n LYS 4 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.92 1xsd n LYS 4 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xsd n GLN 5 N 0.00 0.00 -3.30 1.97 10.64 -1.26 -4.93 117.38 120.51 1xsd n GLN 5 Ca 0.00 0.00 -0.39 0.00 -1.83 0.00 0.00 57.00 54.78 1xsd n GLN 5 Cb 0.00 -1.41 -0.07 0.00 -0.86 0.00 0.00 30.24 27.90 1xsd n GLN 5 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1xsd s VAL 6 N 2.85 5.15 0.02 -0.39 1.01 -1.26 -5.05 120.40 122.73 1xsd s VAL 6 Ca 0.99 0.88 0.07 0.00 0.00 0.00 0.00 61.98 63.91 1xsd s VAL 6 Cb -1.41 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 31.14 1xsd s VAL 6 CO 0.77 0.22 -0.20 -1.61 0.00 0.00 0.00 175.10 174.28 1xsd s GLU 7 N 1.39 2.11 -0.32 2.72 0.41 -1.26 -5.09 118.70 118.66 1xsd s GLU 7 Ca 0.23 -0.94 0.00 0.00 -0.41 0.00 0.00 54.97 53.84 1xsd s GLU 7 Cb -0.15 -2.17 0.14 0.00 -1.78 0.00 0.00 34.13 30.16 1xsd s GLU 7 CO 0.09 0.55 0.28 0.42 -0.49 0.00 0.00 175.26 176.12 1xsd s ILE 8 N -0.84 -0.26 0.85 -1.63 1.01 -1.26 -4.98 121.20 114.09 1xsd s ILE 8 Ca 0.13 -0.84 -0.15 0.00 0.00 0.00 0.00 60.65 59.79 1xsd s ILE 8 Cb -0.10 -0.91 -0.01 0.00 0.01 0.00 0.00 42.46 41.44 1xsd s ILE 8 CO 0.03 -0.61 0.35 -1.54 0.00 0.00 0.00 174.94 173.17 1xsd n SER 9 N 4.82 -2.05 -0.30 3.58 3.41 -1.26 -4.75 113.62 117.08 1xsd n SER 9 Ca 0.03 0.43 0.08 0.00 -0.26 0.00 0.00 58.87 59.15 1xsd n SER 9 Cb 0.44 -1.17 0.30 0.00 -0.26 0.00 0.00 64.21 63.52 1xsd n SER 9 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 1xsd h MET 10 N -0.99 0.84 0.00 4.33 4.05 -2.03 0.17 114.93 121.31 1xsd h MET 10 Ca -0.44 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 58.93 1xsd h MET 10 Cb 1.31 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 31.92 1xsd h MET 10 CO 0.37 0.56 0.00 0.00 0.23 0.00 0.00 176.91 178.07 1xsd n ALA 11 N -2.40 2.28 0.09 0.39 0.00 -1.26 -3.44 120.51 116.17 1xsd n ALA 11 Ca 0.16 -0.06 -0.04 0.00 0.00 0.00 0.00 53.44 53.50 1xsd n ALA 11 Cb 0.35 -1.46 -0.04 0.00 0.00 0.00 0.00 19.45 18.30 1xsd n ALA 11 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1xsd h GLU 12 N 0.00 0.00 -0.77 0.00 5.08 -1.26 -3.23 114.58 114.40 1xsd h GLU 12 Ca 0.00 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.51 1xsd h GLU 12 Cb 0.60 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 1xsd h GLU 12 CO 0.00 0.85 0.51 -1.49 -1.00 0.00 0.00 179.01 177.89 1xsd h TRP 13 N 0.00 0.52 -0.20 4.33 4.06 -1.57 0.30 115.95 123.40 1xsd h TRP 13 Ca -0.01 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 1xsd h TRP 13 Cb 1.57 -0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 29.56 1xsd h TRP 13 CO 0.00 0.20 0.06 -0.44 -3.56 0.00 0.00 178.44 174.70 1xsd h ASP 14 N 0.45 0.24 0.03 -3.49 3.32 -1.78 0.28 116.42 115.48 1xsd h ASP 14 Ca 0.38 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.41 1xsd h ASP 14 Cb 0.84 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1xsd h ASP 14 CO -0.13 0.24 -0.02 0.58 -1.72 0.00 0.00 179.24 178.20 1xsd h VAL 15 N 0.28 1.30 -0.63 -1.35 2.07 -0.67 -3.18 116.25 114.07 1xsd h VAL 15 Ca 0.07 -1.75 0.05 0.00 0.82 0.00 0.00 66.70 65.89 1xsd h VAL 15 Cb 0.09 2.36 -0.05 0.00 -1.52 0.00 0.00 31.29 32.17 1xsd h VAL 15 CO -0.01 0.40 0.34 0.24 0.02 0.00 0.00 177.57 178.57 1xsd h MET 16 N -0.90 0.62 -0.63 1.57 2.86 -0.67 1.00 114.93 118.78 1xsd h MET 16 Ca -0.00 -0.04 0.10 0.00 -2.06 0.00 0.00 59.70 57.70 1xsd h MET 16 Cb 0.70 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 32.18 1xsd h MET 16 CO 0.01 0.41 0.42 -0.91 1.06 0.00 0.00 176.91 177.90 1xsd h ASN 17 N 0.64 0.38 -0.17 1.22 2.35 -0.57 0.34 115.58 119.77 1xsd h ASN 17 Ca 0.28 0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.88 1xsd h ASN 17 Cb 0.17 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1xsd h ASN 17 CO -0.17 0.22 -0.52 0.40 -1.65 0.00 0.00 177.43 175.71 1xsd h ILE 18 N 0.42 1.33 -0.63 2.81 2.04 -0.85 -1.56 117.51 121.07 1xsd h ILE 18 Ca 0.29 -1.77 -0.00 0.00 1.00 0.00 0.00 64.86 64.38 1xsd h ILE 18 Cb 0.58 1.98 -0.03 0.00 -0.74 0.00 0.00 36.82 38.61 1xsd h ILE 18 CO -0.08 0.55 0.38 0.40 0.00 0.00 0.00 178.15 179.39 1xsd h ILE 19 N 0.31 1.19 -0.14 -0.67 2.04 0.85 -0.34 117.51 120.75 1xsd h ILE 19 Ca -0.02 -0.42 -0.08 0.00 1.00 0.00 0.00 64.86 65.34 1xsd h ILE 19 Cb 1.14 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1xsd h ILE 19 CO 0.11 0.19 -0.27 -0.50 0.00 0.00 0.00 178.15 177.69 1xsd h TRP 20 N 0.85 0.29 0.03 1.37 6.55 -0.49 -0.94 115.95 123.61 1xsd h TRP 20 Ca 0.23 -0.05 -0.21 0.00 0.95 0.00 0.00 58.89 59.80 1xsd h TRP 20 Cb -0.02 -0.07 -0.01 0.00 -0.86 0.00 0.00 29.16 28.20 1xsd h TRP 20 CO -0.02 0.51 -0.97 -0.44 -1.05 0.00 0.00 178.44 176.47 1xsd h ASP 21 N 0.23 0.20 -0.47 -3.49 5.19 -0.49 -3.29 116.42 114.31 1xsd h ASP 21 Ca 0.04 -0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.26 1xsd h ASP 21 Cb 0.60 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.04 1xsd h ASP 21 CO 0.04 1.05 0.00 0.29 -3.12 0.00 0.00 179.24 177.51 1xsd n LYS 22 N -3.55 3.03 0.00 3.56 5.02 -0.21 -5.00 118.16 121.01 1xsd n LYS 22 Ca -0.03 -2.45 0.00 0.00 -2.02 0.00 0.00 58.31 53.81 1xsd n LYS 22 Cb 0.88 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 1xsd n LYS 22 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1xsd n LYS 23 N 0.70 0.00 -3.66 1.97 4.76 -0.36 -4.50 118.16 117.06 1xsd n LYS 23 Ca 0.18 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.45 1xsd n LYS 23 Cb 0.62 0.00 -0.16 0.00 -1.84 0.00 0.00 35.03 33.66 1xsd n LYS 23 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1xsd s SER 24 N 0.00 0.85 0.06 4.39 0.15 -1.26 -4.39 113.70 113.50 1xsd s SER 24 Ca 0.00 0.26 -0.03 0.00 0.70 0.00 0.00 55.95 56.88 1xsd s SER 24 Cb 0.00 0.25 -0.03 0.00 -1.71 0.00 0.00 66.02 64.53 1xsd s SER 24 CO 0.00 -0.25 0.03 0.68 1.20 0.00 0.00 173.24 174.89 1xsd s VAL 25 N 2.29 0.19 0.02 4.45 -7.23 0.53 -4.85 120.40 115.80 1xsd s VAL 25 Ca 0.03 -1.57 -0.04 0.00 -1.81 0.00 0.00 61.98 58.59 1xsd s VAL 25 Cb -0.12 -1.36 -0.04 0.00 0.56 0.00 0.00 36.38 35.41 1xsd s VAL 25 CO -0.06 -0.87 0.24 -0.94 -0.31 0.00 0.00 175.10 173.16 1xsd s SER 26 N -2.76 6.43 0.24 4.85 1.04 -1.26 0.42 113.70 122.66 1xsd s SER 26 Ca 0.04 0.45 -0.07 0.00 0.48 0.00 0.00 55.95 56.85 1xsd s SER 26 Cb 0.06 -2.04 0.44 0.00 0.10 0.00 0.00 66.02 64.58 1xsd s SER 26 CO -0.09 0.22 1.64 0.00 0.98 0.00 0.00 173.24 175.99 1xsd h ALA 27 N 3.67 0.81 -0.91 5.32 0.00 -1.98 0.52 119.26 126.69 1xsd h ALA 27 Ca -0.48 0.23 0.14 0.00 0.00 0.00 0.00 54.91 54.79 1xsd h ALA 27 Cb 1.18 0.38 -0.09 0.00 0.00 0.00 0.00 17.79 19.26 1xsd h ALA 27 CO 0.69 -0.41 0.52 -0.97 0.00 0.00 0.00 179.25 179.08 1xsd h ASN 28 N 0.13 0.70 0.57 0.00 -0.73 -1.94 0.19 115.58 114.50 1xsd h ASN 28 Ca 0.41 0.07 -0.03 0.00 1.87 0.00 0.00 56.30 58.63 1xsd h ASN 28 Cb 0.73 -0.05 0.01 0.00 0.27 0.00 0.00 38.32 39.27 1xsd h ASN 28 CO -0.63 0.33 -0.27 -0.33 -0.37 0.00 0.00 177.43 176.15 1xsd h GLU 29 N 0.77 -0.74 -0.69 6.67 5.08 -0.41 -0.78 114.58 124.49 1xsd h GLU 29 Ca 0.48 0.05 0.15 0.00 -1.00 0.00 0.00 59.36 59.04 1xsd h GLU 29 Cb 0.60 0.17 -0.11 0.00 0.50 0.00 0.00 28.75 29.91 1xsd h GLU 29 CO -0.32 -0.46 0.12 0.82 -1.00 0.00 0.00 179.01 178.17 1xsd h ILE 30 N -0.84 0.51 -0.76 3.13 2.04 -0.51 0.11 117.51 121.19 1xsd h ILE 30 Ca -0.08 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.71 1xsd h ILE 30 Cb 0.62 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 1xsd h ILE 30 CO 0.13 0.04 0.50 0.58 0.00 0.00 0.00 178.15 179.40 1xsd h VAL 31 N 0.22 1.19 -0.16 1.67 2.07 -0.04 -1.23 116.25 119.97 1xsd h VAL 31 Ca 0.38 -0.35 -0.08 0.00 0.82 0.00 0.00 66.70 67.46 1xsd h VAL 31 Cb 0.64 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1xsd h VAL 31 CO -0.51 0.19 -0.23 0.58 0.02 0.00 0.00 177.57 177.62 1xsd h VAL 32 N 1.03 1.35 -0.32 2.57 2.07 0.19 -2.40 116.25 120.75 1xsd h VAL 32 Ca 0.28 -1.44 0.07 0.00 0.82 0.00 0.00 66.70 66.43 1xsd h VAL 32 Cb -0.12 1.90 -0.07 0.00 -1.52 0.00 0.00 31.29 31.48 1xsd h VAL 32 CO -0.06 0.43 -0.14 -0.08 0.02 0.00 0.00 177.57 177.74 1xsd h GLU 33 N 0.07 -0.08 -0.05 1.57 4.57 -0.73 -1.31 114.58 118.63 1xsd h GLU 33 Ca 0.02 0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.13 1xsd h GLU 33 Cb 0.79 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.39 1xsd h GLU 33 CO 0.05 -0.05 -0.32 0.82 -1.18 0.00 0.00 179.01 178.32 1xsd h ILE 34 N -0.08 1.25 0.00 2.32 2.04 -1.25 -2.47 117.51 119.32 1xsd h ILE 34 Ca 0.16 -1.19 -0.05 0.00 1.00 0.00 0.00 64.86 64.78 1xsd h ILE 34 Cb 0.33 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 1xsd h ILE 34 CO -0.37 0.35 -0.22 1.56 0.00 0.00 0.00 178.15 179.47 1xsd h GLN 35 N 0.08 0.00 0.00 2.37 4.20 -0.72 -2.86 115.11 118.18 1xsd h GLN 35 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1xsd h GLN 35 Cb 0.62 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1xsd h GLN 35 CO 0.05 0.22 0.00 1.63 -0.67 0.00 0.00 178.83 180.05 1xsd n LYS 36 N -3.46 0.00 0.00 1.46 5.02 -0.85 -2.24 118.16 118.09 1xsd n LYS 36 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1xsd n LYS 36 Cb 0.39 -1.10 0.00 0.00 -0.02 0.00 0.00 35.03 34.30 1xsd n LYS 36 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 1xsd n TYR 37 N -0.57 0.00 -3.61 2.13 0.18 -1.09 -5.12 117.16 109.08 1xsd n TYR 37 Ca 0.00 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.72 1xsd n TYR 37 Cb 0.00 0.12 -0.04 0.00 -0.38 0.00 0.00 39.34 39.03 1xsd n TYR 37 CO 0.00 0.00 0.00 -1.59 -2.08 0.00 0.00 176.86 173.19 1xsd s LYS 38 N 0.00 0.34 -0.84 -3.48 -2.85 -0.95 -5.11 119.74 106.85 1xsd s LYS 38 Ca 0.00 0.06 -0.25 0.00 -1.00 0.00 0.00 55.97 54.78 1xsd s LYS 38 Cb 0.00 0.16 0.03 0.00 -2.06 0.00 0.00 37.83 35.96 1xsd s LYS 38 CO 0.00 -0.11 1.43 -1.21 0.10 0.00 0.00 175.35 175.56 1xsd s GLU 39 N -1.20 3.25 -0.00 1.78 0.41 -1.26 -4.35 118.70 117.34 1xsd s GLU 39 Ca 0.04 -0.50 0.01 0.00 -0.41 0.00 0.00 54.97 54.11 1xsd s GLU 39 Cb -0.01 -4.69 -0.00 0.00 -1.78 0.00 0.00 34.13 27.65 1xsd s GLU 39 CO -0.03 -2.30 -0.04 0.14 -0.49 0.00 0.00 175.26 172.54 1xsd s VAL 40 N 6.01 0.32 0.41 2.63 -7.23 -1.26 -5.15 120.40 116.12 1xsd s VAL 40 Ca 0.44 -0.17 -0.23 0.00 -1.81 0.00 0.00 61.98 60.21 1xsd s VAL 40 Cb -0.05 -0.27 -0.10 0.00 0.56 0.00 0.00 36.38 36.52 1xsd s VAL 40 CO 0.05 0.09 1.00 -0.94 -0.31 0.00 0.00 175.10 174.99 1xsd s SER 41 N -0.08 6.85 0.21 4.85 1.04 -1.26 -4.89 113.70 120.43 1xsd s SER 41 Ca 0.01 1.87 -0.09 0.00 0.48 0.00 0.00 55.95 58.22 1xsd s SER 41 Cb -0.02 -2.57 0.31 0.00 0.10 0.00 0.00 66.02 63.84 1xsd s SER 41 CO -0.00 -0.42 1.71 -0.78 0.98 0.00 0.00 173.24 174.73 1xsd h ASP 42 N 2.29 0.07 -0.08 7.02 3.58 -2.00 -1.95 116.42 125.35 1xsd h ASP 42 Ca -0.48 0.11 0.01 0.00 0.42 0.00 0.00 57.03 57.08 1xsd h ASP 42 Cb 1.20 0.13 -0.01 0.00 1.72 0.00 0.00 39.33 42.37 1xsd h ASP 42 CO 0.62 0.04 0.00 0.11 -2.88 0.00 0.00 179.24 177.13 1xsd h LYS 43 N 0.30 0.03 -0.34 0.28 1.79 -1.99 -1.43 116.57 115.23 1xsd h LYS 43 Ca 0.32 -0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.86 1xsd h LYS 43 Cb 0.47 -0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 31.04 1xsd h LYS 43 CO -0.38 0.02 -0.13 1.15 -1.08 0.00 0.00 179.45 179.02 1xsd h THR 44 N 0.03 0.56 -0.62 -0.16 2.02 -1.75 0.53 112.91 113.52 1xsd h THR 44 Ca 0.04 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 1xsd h THR 44 Cb 0.04 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 1xsd h THR 44 CO -0.06 0.00 0.35 0.40 0.37 0.00 0.00 175.52 176.57 1xsd h ILE 45 N -0.07 1.18 0.00 3.11 2.04 -1.32 -1.60 117.51 120.86 1xsd h ILE 45 Ca 0.17 -0.44 -0.10 0.00 1.00 0.00 0.00 64.86 65.49 1xsd h ILE 45 Cb 0.33 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1xsd h ILE 45 CO -0.39 0.20 -0.46 0.03 0.00 0.00 0.00 178.15 177.53 1xsd h ARG 46 N 0.85 0.00 -0.35 2.37 3.08 -0.02 -0.77 114.38 119.55 1xsd h ARG 46 Ca 0.22 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.23 1xsd h ARG 46 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1xsd h ARG 46 CO -0.04 0.46 0.07 1.15 -1.07 0.00 0.00 179.97 180.54 1xsd h THR 47 N 0.00 1.23 -0.30 2.04 2.02 0.02 0.41 112.91 118.33 1xsd h THR 47 Ca -0.00 -0.80 0.02 0.00 0.77 0.00 0.00 66.41 66.39 1xsd h THR 47 Cb 0.85 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 68.32 1xsd h THR 47 CO 0.06 0.27 0.14 -0.07 0.37 0.00 0.00 175.52 176.29 1xsd h LEU 48 N 0.42 0.20 0.34 2.58 3.38 -0.99 0.39 115.31 121.64 1xsd h LEU 48 Ca 0.11 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1xsd h LEU 48 Cb 0.33 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1xsd h LEU 48 CO 0.00 0.15 -0.42 0.40 0.09 0.00 0.00 178.44 178.67 1xsd h ILE 49 N 0.30 0.16 -0.49 1.22 2.04 -0.89 0.17 117.51 120.02 1xsd h ILE 49 Ca 0.13 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.07 1xsd h ILE 49 Cb 0.05 0.16 -0.07 0.00 -0.74 0.00 0.00 36.82 36.22 1xsd h ILE 49 CO -0.09 0.00 0.05 0.74 0.00 0.00 0.00 178.15 178.84 1xsd h THR 50 N -0.80 0.67 -0.84 -0.27 2.02 0.39 0.83 112.91 114.91 1xsd h THR 50 Ca -0.02 -0.06 0.03 0.00 0.77 0.00 0.00 66.41 67.13 1xsd h THR 50 Cb 0.74 0.49 -0.05 0.00 -1.74 0.00 0.00 68.15 67.59 1xsd h THR 50 CO -0.11 0.03 0.54 0.03 0.37 0.00 0.00 175.52 176.38 1xsd h ARG 51 N 0.17 1.02 -0.30 6.66 3.08 0.12 -0.51 114.38 124.62 1xsd h ARG 51 Ca 0.24 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 1xsd h ARG 51 Cb 0.35 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1xsd h ARG 51 CO -0.36 0.67 0.10 -0.07 -1.07 0.00 0.00 179.97 179.24 1xsd h LEU 52 N 1.05 0.43 -1.33 3.04 3.38 0.59 -1.31 115.31 121.16 1xsd h LEU 52 Ca 0.33 -0.20 0.11 0.00 0.09 0.00 0.00 57.88 58.21 1xsd h LEU 52 Cb 0.00 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 1xsd h LEU 52 CO -0.11 0.52 0.53 0.22 0.09 0.00 0.00 178.44 179.69 1xsd h TYR 53 N 0.32 0.80 0.00 1.13 3.20 -0.46 -1.19 116.97 120.78 1xsd h TYR 53 Ca 0.10 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.83 1xsd h TYR 53 Cb 0.24 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 1xsd h TYR 53 CO 0.00 0.36 -0.75 0.87 -1.64 0.00 0.00 178.16 177.00 1xsd h LYS 54 N 0.73 0.00 -0.00 1.82 1.57 -0.53 -2.31 116.57 117.85 1xsd h LYS 54 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1xsd h LYS 54 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1xsd h LYS 54 CO -0.15 0.75 -0.03 1.63 -0.57 0.00 0.00 179.45 181.07 1xsd n LYS 55 N -3.48 1.05 -2.17 3.15 5.02 -0.55 -4.91 118.16 116.27 1xsd n LYS 55 Ca -0.00 -0.32 -0.14 0.00 -2.02 0.00 0.00 58.31 55.83 1xsd n LYS 55 Cb 0.77 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 34.27 1xsd n LYS 55 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1xsd n GLU 56 N -0.70 -1.12 0.00 1.97 1.02 -0.53 -4.89 120.64 116.39 1xsd n GLU 56 Ca 0.19 0.73 0.13 0.00 -0.02 0.00 0.00 57.16 58.19 1xsd n GLU 56 Cb 0.23 -5.00 0.43 0.00 -0.02 0.00 0.00 31.44 27.08 1xsd n GLU 56 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1xsd n ILE 57 N -3.84 0.00 -3.96 -3.67 -0.00 -0.69 -4.75 119.36 102.45 1xsd n ILE 57 Ca -0.17 -0.00 -0.09 0.00 -0.00 0.00 0.00 62.75 62.50 1xsd n ILE 57 Cb 0.61 -0.11 -0.09 0.00 -0.00 0.00 0.00 39.64 40.04 1xsd n ILE 57 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.55 176.82 1xsd s ILE 58 N -2.99 0.16 0.36 1.39 -4.36 -1.25 -1.16 121.20 113.35 1xsd s ILE 58 Ca 0.13 -1.30 0.04 0.00 -0.26 0.00 0.00 60.65 59.26 1xsd s ILE 58 Cb 0.18 -1.12 -0.05 0.00 1.25 0.00 0.00 42.46 42.72 1xsd s ILE 58 CO 0.61 -0.72 0.06 -0.54 0.24 0.00 0.00 174.94 174.60 1xsd s LYS 59 N -3.14 1.78 0.19 0.37 -0.14 0.29 -4.60 119.74 114.48 1xsd s LYS 59 Ca -0.00 -2.02 -0.11 0.00 -1.36 0.00 0.00 55.97 52.47 1xsd s LYS 59 Cb 0.02 -0.95 -0.00 0.00 -1.68 0.00 0.00 37.83 35.22 1xsd s LYS 59 CO -0.07 -0.24 0.36 -0.98 -0.76 0.00 0.00 175.35 173.66 1xsd s ARG 60 N -3.84 1.28 0.06 1.68 1.70 -1.26 -1.56 118.95 117.01 1xsd s ARG 60 Ca 0.32 -1.15 -0.09 0.00 -0.47 0.00 0.00 55.73 54.33 1xsd s ARG 60 Cb 0.07 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.87 1xsd s ARG 60 CO 0.15 -0.50 0.19 1.52 -1.08 0.00 0.00 175.30 175.58 1xsd s TYR 61 N -3.97 0.10 0.01 5.89 -0.85 -1.17 -5.01 117.35 112.35 1xsd s TYR 61 Ca 0.18 -0.43 -0.14 0.00 -0.52 0.00 0.00 57.07 56.16 1xsd s TYR 61 Cb 0.02 -0.05 -0.06 0.00 0.38 0.00 0.00 41.96 42.26 1xsd s TYR 61 CO 0.02 -0.48 0.41 0.21 -1.52 0.00 0.00 175.55 174.19 1xsd s LYS 62 N -3.19 3.91 0.00 -3.49 2.20 -1.26 -2.02 119.74 115.89 1xsd s LYS 62 Ca -0.00 0.40 0.00 0.00 -0.36 0.00 0.00 55.97 56.01 1xsd s LYS 62 Cb 0.02 -3.20 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 1xsd s LYS 62 CO -0.07 0.68 0.00 0.45 -0.36 0.00 0.00 175.35 176.05 1xsd n SER 63 N 1.75 0.00 0.00 1.43 2.88 0.34 -4.96 113.62 115.06 1xsd n SER 63 Ca -0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 1xsd n SER 63 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1xsd n SER 63 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1xsd n GLU 64 N -1.01 0.00 0.00 -1.46 1.02 -1.26 -4.78 120.64 113.15 1xsd n GLU 64 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1xsd n GLU 64 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1xsd n GLU 64 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1xsd n ASN 65 N 0.00 1.44 -4.85 1.62 2.85 -1.26 -5.02 115.26 110.03 1xsd n ASN 65 Ca 0.00 -1.61 -0.34 0.00 -0.11 0.00 0.00 54.58 52.52 1xsd n ASN 65 Cb 0.00 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 40.96 1xsd n ASN 65 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1xsd s ILE 66 N -0.61 4.86 0.05 -1.44 1.01 -1.26 -5.00 121.20 118.80 1xsd s ILE 66 Ca 0.00 0.73 -0.17 0.00 0.00 0.00 0.00 60.65 61.21 1xsd s ILE 66 Cb 0.00 -3.69 -0.06 0.00 0.01 0.00 0.00 42.46 38.72 1xsd s ILE 66 CO 0.00 0.10 0.50 -0.31 0.00 0.00 0.00 174.94 175.23 1xsd s TYR 67 N -1.63 3.76 -0.10 3.97 2.02 -1.26 -0.51 117.35 123.61 1xsd s TYR 67 Ca 0.42 1.14 0.04 0.00 -0.37 0.00 0.00 57.07 58.30 1xsd s TYR 67 Cb -0.13 -2.40 0.00 0.00 -0.40 0.00 0.00 41.96 39.03 1xsd s TYR 67 CO 0.20 0.60 -0.22 -0.06 -1.57 0.00 0.00 175.55 174.50 1xsd s PHE 68 N -1.12 2.40 0.23 2.71 0.08 -0.86 -4.04 117.98 117.39 1xsd s PHE 68 Ca 0.27 -1.00 0.07 0.00 0.12 0.00 0.00 56.93 56.40 1xsd s PHE 68 Cb -0.18 -1.62 -0.04 0.00 -0.57 0.00 0.00 43.02 40.61 1xsd s PHE 68 CO 0.17 -0.41 0.12 0.71 -0.10 0.00 0.00 175.22 175.70 1xsd s TYR 69 N 0.43 2.99 -0.01 0.36 1.51 1.40 -3.02 117.35 121.01 1xsd s TYR 69 Ca -0.17 -0.13 -0.08 0.00 -1.01 0.00 0.00 57.07 55.68 1xsd s TYR 69 Cb -0.17 -1.36 0.01 0.00 -0.11 0.00 0.00 41.96 40.32 1xsd s TYR 69 CO 0.07 0.54 0.17 -1.12 -1.11 0.00 0.00 175.55 174.11 1xsd s SER 70 N -3.61 -0.03 0.35 2.29 0.01 -0.60 -0.34 113.70 111.77 1xsd s SER 70 Ca 0.32 -0.10 -0.28 0.00 1.31 0.00 0.00 55.95 57.19 1xsd s SER 70 Cb -0.08 0.24 -0.11 0.00 0.21 0.00 0.00 66.02 66.29 1xsd s SER 70 CO 0.23 -0.35 1.41 -0.55 0.41 0.00 0.00 173.24 174.39 1xsd s SER 71 N -1.22 6.53 -0.18 2.44 0.15 -1.26 -0.55 113.70 119.60 1xsd s SER 71 Ca -0.13 2.89 0.15 0.00 0.70 0.00 0.00 55.95 59.56 1xsd s SER 71 Cb -0.07 -2.66 0.38 0.00 -1.71 0.00 0.00 66.02 61.96 1xsd s SER 71 CO 0.02 -0.73 1.23 -3.20 1.20 0.00 0.00 173.24 171.75 1xsd n ASN 72 N 0.67 2.23 -3.78 5.45 4.05 -0.31 -4.75 115.26 118.82 1xsd n ASN 72 Ca 0.01 -3.46 -0.13 0.00 0.45 0.00 0.00 54.58 51.45 1xsd n ASN 72 Cb 0.40 -0.50 -0.10 0.00 1.23 0.00 0.00 39.78 40.82 1xsd n ASN 72 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 1xsd s ILE 73 N -3.05 0.03 -0.14 -1.44 2.07 -1.25 -4.86 121.20 112.56 1xsd s ILE 73 Ca 0.36 -0.28 -0.29 0.00 -1.41 0.00 0.00 60.65 59.03 1xsd s ILE 73 Cb 0.33 -0.51 -0.03 0.00 0.13 0.00 0.00 42.46 42.39 1xsd s ILE 73 CO -0.01 -0.15 1.47 -0.54 -1.91 0.00 0.00 174.94 173.80 1xsd s LYS 74 N -0.64 4.12 0.09 3.50 1.02 -1.26 -4.92 119.74 121.64 1xsd s LYS 74 Ca -0.07 1.83 -0.35 0.00 0.02 0.00 0.00 55.97 57.40 1xsd s LYS 74 Cb -0.04 -3.90 -0.16 0.00 -0.52 0.00 0.00 37.83 33.21 1xsd s LYS 74 CO 0.02 -0.88 1.58 1.49 -0.92 0.00 0.00 175.35 176.64 1xsd h GLU 75 N 9.18 -0.92 -0.99 1.68 4.81 -2.00 -1.58 114.58 124.77 1xsd h GLU 75 Ca -0.32 0.06 0.27 0.00 -0.13 0.00 0.00 59.36 59.24 1xsd h GLU 75 Cb 1.14 0.21 -0.06 0.00 0.63 0.00 0.00 28.75 30.67 1xsd h GLU 75 CO 0.97 -0.61 0.68 -0.44 -0.73 0.00 0.00 179.01 178.89 1xsd h ASP 76 N -0.95 0.17 0.10 1.04 3.32 -2.00 -1.34 116.42 116.76 1xsd h ASP 76 Ca -0.05 0.03 -0.28 0.00 0.02 0.00 0.00 57.03 56.74 1xsd h ASP 76 Cb 0.83 -0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.40 1xsd h ASP 76 CO -0.05 0.05 -1.16 0.44 -1.72 0.00 0.00 179.24 176.80 1xsd h ASP 77 N 0.16 0.85 0.54 6.45 5.19 -1.71 -2.70 116.42 125.20 1xsd h ASP 77 Ca 0.50 -0.81 -0.21 0.00 -0.62 0.00 0.00 57.03 55.88 1xsd h ASP 77 Cb 1.68 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 40.92 1xsd h ASP 77 CO -0.10 1.57 -0.94 -0.29 -3.12 0.00 0.00 179.24 176.36 1xsd h ILE 78 N 0.24 1.48 -0.39 0.35 6.09 -0.78 -1.99 117.51 122.51 1xsd h ILE 78 Ca -0.17 -2.66 -0.09 0.00 -1.37 0.00 0.00 64.86 60.57 1xsd h ILE 78 Cb 1.84 2.53 -0.01 0.00 0.47 0.00 0.00 36.82 41.64 1xsd h ILE 78 CO 0.22 0.78 -0.11 0.11 -3.07 0.00 0.00 178.15 176.08 1xsd h LYS 79 N 0.13 0.77 -0.63 2.19 1.57 -1.37 -1.94 116.57 117.28 1xsd h LYS 79 Ca -0.06 -0.30 -0.02 0.00 -1.87 0.00 0.00 60.65 58.40 1xsd h LYS 79 Cb 1.59 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.83 1xsd h LYS 79 CO 0.15 0.91 0.33 1.98 -0.57 0.00 0.00 179.45 182.25 1xsd h MET 80 N 0.57 0.90 -0.49 3.15 4.05 -1.45 0.17 114.93 121.84 1xsd h MET 80 Ca 0.10 -0.12 -0.05 0.00 -0.28 0.00 0.00 59.70 59.36 1xsd h MET 80 Cb 0.64 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 31.24 1xsd h MET 80 CO 0.04 0.69 0.11 -0.22 0.23 0.00 0.00 176.91 177.77 1xsd h LYS 81 N 0.87 0.74 -0.09 0.39 3.64 -1.28 -0.91 116.57 119.93 1xsd h LYS 81 Ca 0.22 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1xsd h LYS 81 Cb 0.07 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1xsd h LYS 81 CO -0.03 0.68 -0.04 1.15 -2.27 0.00 0.00 179.45 178.93 1xsd h THR 82 N 0.72 1.32 -0.75 1.00 2.02 -0.40 -2.76 112.91 114.06 1xsd h THR 82 Ca 0.16 -1.05 0.06 0.00 0.77 0.00 0.00 66.41 66.36 1xsd h THR 82 Cb 0.28 1.82 -0.06 0.00 -1.74 0.00 0.00 68.15 68.45 1xsd h THR 82 CO -0.00 0.29 0.44 0.00 0.37 0.00 0.00 175.52 176.62 1xsd h ALA 83 N 0.64 1.02 -0.74 6.16 0.00 -0.46 0.41 119.26 126.29 1xsd h ALA 83 Ca 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1xsd h ALA 83 Cb 0.49 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1xsd h ALA 83 CO 0.01 0.14 0.41 0.87 0.00 0.00 0.00 179.25 180.68 1xsd h LYS 84 N 0.80 1.03 -0.35 0.00 1.57 -1.12 0.24 116.57 118.73 1xsd h LYS 84 Ca 0.33 -0.12 0.03 0.00 -1.87 0.00 0.00 60.65 59.03 1xsd h LYS 84 Cb 0.19 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1xsd h LYS 84 CO -0.18 0.76 0.14 1.15 -0.57 0.00 0.00 179.45 180.75 1xsd h THR 85 N 1.02 0.93 0.38 -0.16 2.02 -0.99 0.19 112.91 116.30 1xsd h THR 85 Ca 0.26 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 1xsd h THR 85 Cb 0.03 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1xsd h THR 85 CO -0.04 0.06 -0.18 0.15 0.37 0.00 0.00 175.52 175.87 1xsd h PHE 86 N 0.31 -0.47 -0.88 3.16 3.57 -0.54 -2.18 116.94 119.90 1xsd h PHE 86 Ca 0.15 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.70 1xsd h PHE 86 Cb 0.10 0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.94 1xsd h PHE 86 CO -0.12 -0.27 0.58 1.25 -2.23 0.00 0.00 178.31 177.51 1xsd h LEU 87 N -0.54 0.89 -0.39 0.59 7.12 -0.10 0.24 115.31 123.12 1xsd h LEU 87 Ca -0.05 0.00 -0.06 0.00 0.13 0.00 0.00 57.88 57.91 1xsd h LEU 87 Cb 0.41 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 40.33 1xsd h LEU 87 CO 0.08 0.58 0.03 0.78 -0.13 0.00 0.00 178.44 179.79 1xsd h ASN 88 N 1.02 0.65 -0.19 1.25 2.35 -0.54 0.62 115.58 120.73 1xsd h ASN 88 Ca 0.37 -0.29 -0.10 0.00 -0.55 0.00 0.00 56.30 55.74 1xsd h ASN 88 Cb 0.16 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 1xsd h ASN 88 CO -0.13 0.78 -0.26 0.11 -1.65 0.00 0.00 177.43 176.27 1xsd h LYS 89 N 0.51 0.52 0.00 0.81 1.79 -0.96 -2.16 116.57 117.08 1xsd h LYS 89 Ca 0.11 -0.30 0.00 0.00 -2.18 0.00 0.00 60.65 58.28 1xsd h LYS 89 Cb 0.42 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1xsd h LYS 89 CO 0.01 0.89 -0.94 1.28 -1.08 0.00 0.00 179.45 179.62 1xsd n LEU 90 N -4.38 0.64 -0.57 2.94 4.32 0.79 -4.59 117.00 116.15 1xsd n LEU 90 Ca -0.06 -0.09 -0.00 0.00 -0.02 0.00 0.00 56.01 55.84 1xsd n LEU 90 Cb 0.45 -0.11 -0.00 0.00 -1.62 0.00 0.00 43.42 42.14 1xsd n LEU 90 CO 0.43 0.09 0.24 -1.22 -1.22 0.00 0.00 177.39 175.71 1xsd n TYR 91 N -1.81 0.00 -3.81 -1.77 4.01 0.18 -5.00 117.16 108.96 1xsd n TYR 91 Ca 0.03 -0.05 -0.24 0.00 -0.16 0.00 0.00 57.90 57.49 1xsd n TYR 91 Cb 0.40 0.07 0.01 0.00 -0.31 0.00 0.00 39.34 39.52 1xsd n TYR 91 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xsd n GLY 92 N 0.03 -0.29 3.90 2.72 0.00 -0.56 -2.73 105.19 108.26 1xsd n GLY 92 Ca -0.01 0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1xsd n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xsd n GLY 93 N -1.70 -1.10 2.58 -0.02 0.00 0.91 -4.84 105.19 101.01 1xsd n GLY 93 Ca -0.27 0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 1xsd n GLY 93 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xsd s ASP 94 N -3.20 3.56 0.41 1.61 -1.08 -1.11 -4.92 116.67 111.94 1xsd s ASP 94 Ca 0.19 -1.31 0.16 0.00 -0.52 0.00 0.00 52.55 51.07 1xsd s ASP 94 Cb -0.11 -0.44 1.04 0.00 -1.46 0.00 0.00 42.92 41.95 1xsd s ASP 94 CO 0.91 -0.43 1.85 0.24 0.52 0.00 0.00 175.17 178.26 1xsd h MET 95 N 8.35 0.44 0.60 4.34 2.86 -1.93 -0.40 114.93 129.20 1xsd h MET 95 Ca -0.19 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.40 1xsd h MET 95 Cb 1.02 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.58 1xsd h MET 95 CO 0.44 0.29 -0.36 0.87 1.06 0.00 0.00 176.91 179.21 1xsd h LYS 96 N 0.45 -0.88 -0.62 1.72 1.57 -1.97 0.66 116.57 117.50 1xsd h LYS 96 Ca 0.47 0.06 0.18 0.00 -1.87 0.00 0.00 60.65 59.49 1xsd h LYS 96 Cb 1.10 0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.58 1xsd h LYS 96 CO -0.19 -0.58 0.50 1.03 -0.57 0.00 0.00 179.45 179.64 1xsd h SER 97 N -0.91 0.00 0.45 0.86 0.87 -1.45 0.83 113.55 114.20 1xsd h SER 97 Ca -0.07 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.18 1xsd h SER 97 Cb 0.73 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.66 1xsd h SER 97 CO 0.08 0.00 -1.66 0.25 -0.53 0.00 0.00 176.83 174.97 1xsd h LEU 98 N 0.00 0.18 -0.47 2.23 7.12 -0.63 -2.76 115.31 120.98 1xsd h LEU 98 Ca 0.30 -0.33 -0.13 0.00 0.13 0.00 0.00 57.88 57.84 1xsd h LEU 98 Cb 1.29 -0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 41.34 1xsd h LEU 98 CO -0.00 1.29 -0.64 1.62 -0.13 0.00 0.00 178.44 180.57 1xsd h VAL 99 N 0.03 1.28 -0.05 1.05 3.04 0.28 -2.37 116.25 119.51 1xsd h VAL 99 Ca -0.28 -2.35 -0.20 0.00 -1.01 0.00 0.00 66.70 62.87 1xsd h VAL 99 Cb 2.00 2.33 -0.00 0.00 -2.01 0.00 0.00 31.29 33.61 1xsd h VAL 99 CO 0.11 0.63 -0.82 0.25 -1.01 0.00 0.00 177.57 176.73 1xsd h LEU 100 N 0.00 0.50 -1.54 3.16 5.85 0.46 -2.36 115.31 121.38 1xsd h LEU 100 Ca -0.01 -0.36 -0.05 0.00 0.84 0.00 0.00 57.88 58.30 1xsd h LEU 100 Cb 1.28 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1xsd h LEU 100 CO 0.08 1.13 -0.24 -1.13 -0.34 0.00 0.00 178.44 177.94 1xsd h ASN 101 N 0.26 0.00 0.47 1.25 -0.73 -1.37 -1.67 115.58 113.78 1xsd h ASN 101 Ca -0.05 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.10 1xsd h ASN 101 Cb 1.42 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.01 1xsd h ASN 101 CO 0.14 0.24 -0.22 -0.26 -0.37 0.00 0.00 177.43 176.96 1xsd h PHE 102 N 0.00 -0.58 0.03 0.67 0.04 -1.15 -2.36 116.94 113.58 1xsd h PHE 102 Ca -0.00 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.78 1xsd h PHE 102 Cb 0.47 0.19 -0.05 0.00 2.20 0.00 0.00 35.95 38.76 1xsd h PHE 102 CO 0.00 -0.30 -0.43 0.00 -0.60 0.00 0.00 178.31 176.97 1xsd h ALA 103 N -0.99 -0.71 -0.78 2.45 0.00 -1.36 -2.21 119.26 115.65 1xsd h ALA 103 Ca -0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1xsd h ALA 103 Cb 0.54 0.75 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1xsd h ALA 103 CO 0.11 -0.98 0.00 1.17 0.00 0.00 0.00 179.25 179.55 1xsd n LYS 104 N -5.46 0.00 0.00 0.00 4.81 -0.64 0.14 118.16 117.02 1xsd n LYS 104 Ca -0.06 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.22 1xsd n LYS 104 Cb 0.38 -1.32 0.00 0.00 0.02 0.00 0.00 35.03 34.10 1xsd n LYS 104 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1xsd n ASN 105 N -2.44 0.00 -3.44 3.14 5.03 -0.89 -4.76 115.26 111.90 1xsd n ASN 105 Ca 0.00 0.00 -0.18 0.00 0.87 0.00 0.00 54.58 55.27 1xsd n ASN 105 Cb 0.00 0.00 0.07 0.00 -1.02 0.00 0.00 39.78 38.83 1xsd n ASN 105 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1xsd n GLU 106 N -0.82 -5.08 -0.35 3.52 1.02 0.36 -4.89 120.64 114.40 1xsd n GLU 106 Ca 0.00 0.80 0.10 0.00 -0.02 0.00 0.00 57.16 58.04 1xsd n GLU 106 Cb 0.00 -5.67 0.29 0.00 -0.02 0.00 0.00 31.44 26.03 1xsd n GLU 106 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1xsd n GLU 107 N -3.94 2.85 -3.70 3.49 -0.58 -0.87 -4.88 120.64 113.00 1xsd n GLU 107 Ca -0.23 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h LYS 111 N 0.00 -0.26 -0.10 6.67 3.64 -1.99 0.27 116.57 124.80 1xsd h LYS 111 Ca 0.35 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.65 1xsd h LYS 111 Cb 2.16 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 34.03 1xsd h LYS 111 CO -0.00 0.04 -0.39 0.93 -2.27 0.00 0.00 179.45 177.75 1xsd h GLU 112 N -0.56 0.21 -0.72 1.90 5.08 -0.03 -0.34 114.58 120.11 1xsd h GLU 112 Ca -0.03 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 1xsd h GLU 112 Cb 0.42 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 1xsd h GLU 112 CO 0.05 0.57 0.32 0.82 -1.00 0.00 0.00 179.01 179.77 1xsd h ILE 113 N 0.18 1.24 0.03 3.13 2.04 -0.32 0.39 117.51 124.20 1xsd h ILE 113 Ca 0.02 -0.70 -0.18 0.00 1.00 0.00 0.00 64.86 65.01 1xsd h ILE 113 Cb 0.77 0.34 0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1xsd h ILE 113 CO 0.06 0.29 -0.70 -0.08 0.00 0.00 0.00 178.15 177.71 1xsd h GLU 114 N 1.03 0.42 -0.69 2.37 4.57 -0.04 -1.62 114.58 120.62 1xsd h GLU 114 Ca 0.25 -0.50 0.09 0.00 -1.18 0.00 0.00 59.36 58.02 1xsd h GLU 114 Cb 0.14 0.15 -0.07 0.00 -0.16 0.00 0.00 28.75 28.82 1xsd h GLU 114 CO -0.03 1.16 0.34 0.93 -1.18 0.00 0.00 179.01 180.23 1xsd h GLU 115 N -0.10 0.57 0.11 1.92 5.08 -0.85 0.65 114.58 121.96 1xsd h GLU 115 Ca -0.10 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1xsd h GLU 115 Cb 1.43 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1xsd h GLU 115 CO 0.14 0.38 -0.05 1.25 -1.00 0.00 0.00 179.01 179.72 1xsd h LEU 116 N 0.58 -0.12 -1.32 1.33 5.85 -0.95 -1.72 115.31 118.97 1xsd h LEU 116 Ca 0.34 0.00 0.44 0.00 0.84 0.00 0.00 57.88 59.51 1xsd h LEU 116 Cb 0.35 0.03 -0.12 0.00 0.37 0.00 0.00 40.66 41.30 1xsd h LEU 116 CO -0.27 -0.09 0.87 -1.14 -0.34 0.00 0.00 178.44 177.48 1xsd n ARG 117 N -2.39 -0.03 0.00 1.25 0.63 -0.61 -0.80 116.66 114.72 1xsd n ARG 117 Ca -0.02 1.11 0.00 0.00 -0.92 0.00 0.00 57.85 58.02 1xsd n ARG 117 Cb 0.06 -2.23 0.00 0.00 0.45 0.00 0.00 32.46 30.74 1xsd n ARG 117 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1xsd n ASP 118 N -4.39 0.00 -0.02 6.15 -0.08 0.22 -0.57 116.55 117.87 1xsd n ASP 118 Ca 0.37 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.66 1xsd n ASP 118 Cb 1.47 0.00 0.02 0.00 2.34 0.00 0.00 41.12 44.96 1xsd n ASP 118 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xsd n ILE 119 N 0.00 -0.02 -0.15 5.18 3.06 -0.70 0.35 119.36 127.07 1xsd n ILE 119 Ca 0.00 0.12 -0.12 0.00 -2.50 0.00 0.00 62.75 60.26 1xsd n ILE 119 Cb 0.00 -0.18 0.00 0.00 0.54 0.00 0.00 39.64 40.00 1xsd n ILE 119 CO 0.00 0.00 0.00 0.25 -2.50 0.00 0.00 176.55 174.30 1xsd h LEU 120 N 0.00 1.01 -0.81 9.51 5.85 -1.03 -0.21 115.31 129.63 1xsd h LEU 120 Ca 0.04 -0.40 -0.12 0.00 0.84 0.00 0.00 57.88 58.24 1xsd h LEU 120 Cb 0.08 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 1xsd h LEU 120 CO -0.05 1.20 -0.45 -1.13 -0.34 0.00 0.00 178.44 177.67 1xsd h ASN 121 N 0.84 0.35 0.31 1.25 -0.73 0.85 -2.47 115.58 115.97 1xsd h ASN 121 Ca 0.10 -0.16 -0.04 0.00 1.87 0.00 0.00 56.30 58.07 1xsd h ASN 121 Cb 0.83 -0.10 -0.01 0.00 0.27 0.00 0.00 38.32 39.32 1xsd h ASN 121 CO 0.07 0.75 -0.19 -0.78 -0.37 0.00 0.00 177.43 176.91 1xsd h ASP 122 N 0.27 0.00 0.41 1.15 3.58 -0.46 -2.65 116.42 118.73 1xsd h ASP 122 Ca 0.02 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.18 1xsd h ASP 122 Cb 0.90 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.96 1xsd h ASP 122 CO 0.07 0.19 -1.28 0.40 -2.88 0.00 0.00 179.24 175.75 1xsd h ILE 123 N 0.00 1.39 0.00 2.25 2.04 -0.58 -3.14 117.51 119.47 1xsd h ILE 123 Ca -0.00 -2.79 -0.03 0.00 1.00 0.00 0.00 64.86 63.04 1xsd h ILE 123 Cb 0.40 2.87 -0.00 0.00 -0.74 0.00 0.00 36.82 39.35 1xsd h ILE 123 CO 0.02 0.83 -0.13 -1.28 0.00 0.00 0.00 178.15 177.59 1xsd h SER 124 N 0.15 0.00 -2.86 1.72 0.87 -1.32 -3.42 113.55 108.68 1xsd h SER 124 Ca -0.17 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 59.82 1xsd h SER 124 Cb 1.97 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.90 1xsd h SER 124 CO 0.23 0.13 1.04 -0.54 -0.53 0.00 0.00 176.83 177.16 1xsd s LYS 125 N -4.12 3.96 0.00 2.24 1.02 -1.02 -5.13 119.74 116.69 1xsd s LYS 125 Ca -0.02 1.63 0.23 0.00 0.02 0.00 0.00 55.97 57.83 1xsd s LYS 125 Cb 0.13 -3.94 0.19 0.00 -0.52 0.00 0.00 37.83 33.68 1xsd s LYS 125 CO 0.59 -1.08 1.24 0.36 -0.92 0.00 0.00 175.35 175.54