#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n71 s ILE 2 N 0.00 2.36 -0.24 3.17 -4.36 -0.68 -4.96 121.20 116.49 1n71 s ILE 2 Ca 0.00 -1.67 -0.07 0.00 -0.26 0.00 0.00 60.65 58.65 1n71 s ILE 2 Cb 0.00 -2.04 -0.02 0.00 1.25 0.00 0.00 42.46 41.65 1n71 s ILE 2 CO 0.00 0.12 0.05 -0.63 0.24 0.00 0.00 174.94 174.72 1n71 s ILE 3 N -1.05 4.12 0.31 8.37 -1.09 -1.26 -1.49 121.20 129.11 1n71 s ILE 3 Ca 0.14 -0.24 -0.08 0.00 -2.23 0.00 0.00 60.65 58.25 1n71 s ILE 3 Cb -0.10 -2.92 0.01 0.00 -1.58 0.00 0.00 42.46 37.87 1n71 s ILE 3 CO 0.06 0.36 0.50 -0.94 -1.23 0.00 0.00 174.94 173.70 1n71 s SER 4 N 1.57 0.39 0.30 3.58 1.04 -0.60 -4.99 113.70 114.99 1n71 s SER 4 Ca 0.06 -1.23 -0.29 0.00 0.48 0.00 0.00 55.95 54.97 1n71 s SER 4 Cb -0.15 0.65 -0.10 0.00 0.10 0.00 0.00 66.02 66.51 1n71 s SER 4 CO 0.02 -1.27 1.44 -1.61 0.98 0.00 0.00 173.24 172.80 1n71 s GLU 5 N -3.37 4.24 0.15 4.02 2.02 -1.26 -0.38 118.70 124.12 1n71 s GLU 5 Ca 0.26 2.37 -0.31 0.00 0.02 0.00 0.00 54.97 57.31 1n71 s GLU 5 Cb -0.01 -3.06 -0.08 0.00 0.10 0.00 0.00 34.13 31.08 1n71 s GLU 5 CO 0.15 -0.42 1.38 0.12 0.02 0.00 0.00 175.26 176.51 1n71 s PHE 6 N -0.47 3.22 -0.75 1.61 2.19 0.17 -4.67 117.98 119.28 1n71 s PHE 6 Ca 0.56 1.01 -0.27 0.00 0.33 0.00 0.00 56.93 58.57 1n71 s PHE 6 Cb -0.43 -3.68 0.02 0.00 -1.31 0.00 0.00 43.02 37.62 1n71 s PHE 6 CO 0.50 -2.32 1.39 0.34 1.83 0.00 0.00 175.22 176.95 1n71 s ASP 7 N 0.84 6.05 0.03 6.13 -1.08 -1.26 -4.84 116.67 122.54 1n71 s ASP 7 Ca 0.62 -0.44 0.03 0.00 -0.52 0.00 0.00 52.55 52.24 1n71 s ASP 7 Cb -0.37 -2.56 0.16 0.00 -1.46 0.00 0.00 42.92 38.69 1n71 s ASP 7 CO 0.33 -1.90 1.10 0.54 0.52 0.00 0.00 175.17 175.76 1n71 n ARG 8 N 9.30 0.01 -0.47 4.34 1.74 -1.26 -1.88 116.66 128.44 1n71 n ARG 8 Ca 0.09 0.50 0.08 0.00 -0.77 0.00 0.00 57.85 57.74 1n71 n ARG 8 Cb 0.50 -1.55 0.27 0.00 -1.02 0.00 0.00 32.46 30.66 1n71 n ARG 8 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1n71 n ASN 9 N -1.58 4.05 -4.24 0.55 3.02 -1.26 -4.89 115.26 110.92 1n71 n ASN 9 Ca 0.00 -2.68 -0.42 0.00 -0.03 0.00 0.00 54.58 51.44 1n71 n ASN 9 Cb 0.02 -0.50 -0.07 0.00 -0.61 0.00 0.00 39.78 38.62 1n71 n ASN 9 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1n71 s ASN 10 N -1.42 5.91 0.24 6.41 3.84 -0.79 -4.95 114.94 124.19 1n71 s ASN 10 Ca 0.41 -2.07 -0.05 0.00 0.21 0.00 0.00 52.86 51.36 1n71 s ASN 10 Cb 0.30 -2.07 0.46 0.00 -0.55 0.00 0.00 41.25 39.39 1n71 s ASN 10 CO 0.14 -0.69 1.70 -0.65 -2.79 0.00 0.00 177.10 174.81 1n71 h PRO 11 N 8.34 0.30 0.05 0.43 0.11 -1.90 -0.05 132.00 139.28 1n71 h PRO 11 Ca -0.17 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.92 1n71 h PRO 11 Cb 1.06 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1n71 h PRO 11 CO 0.88 0.20 -0.03 0.28 -0.21 0.00 0.00 178.00 179.12 1n71 h VAL 12 N 0.31 0.98 -0.48 3.15 2.07 -1.99 -0.79 116.25 119.50 1n71 h VAL 12 Ca 0.41 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.84 1n71 h VAL 12 Cb 0.69 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1n71 h VAL 12 CO -0.48 0.03 0.28 -0.07 0.02 0.00 0.00 177.57 177.35 1n71 h LEU 13 N -0.12 0.46 -2.09 2.57 3.38 -1.76 -0.92 115.31 116.83 1n71 h LEU 13 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1n71 h LEU 13 Cb 0.10 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1n71 h LEU 13 CO 0.01 0.33 -0.07 0.11 0.09 0.00 0.00 178.44 178.91 1n71 h LYS 14 N 0.57 0.00 -0.13 1.13 1.57 -0.81 -1.28 116.57 117.62 1n71 h LYS 14 Ca 0.19 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.85 1n71 h LYS 14 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1n71 h LYS 14 CO -0.09 0.07 -0.40 -0.44 -0.57 0.00 0.00 179.45 178.03 1n71 h ASP 15 N 0.00 0.57 -0.47 0.86 3.32 0.19 -2.34 116.42 118.55 1n71 h ASP 15 Ca -0.00 -0.60 -0.04 0.00 0.02 0.00 0.00 57.03 56.41 1n71 h ASP 15 Cb 0.17 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1n71 h ASP 15 CO 0.01 1.07 0.14 1.56 -1.72 0.00 0.00 179.24 180.30 1n71 h GLN 16 N 0.11 0.79 -0.42 3.56 4.20 -0.64 -1.45 115.11 121.25 1n71 h GLN 16 Ca -0.01 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.52 1n71 h GLN 16 Cb 1.02 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.65 1n71 h GLN 16 CO 0.08 0.70 0.15 1.25 -0.67 0.00 0.00 178.83 180.35 1n71 h LEU 17 N 0.77 0.59 -0.10 1.46 5.85 -1.22 0.27 115.31 122.93 1n71 h LEU 17 Ca 0.17 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1n71 h LEU 17 Cb 0.26 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1n71 h LEU 17 CO -0.00 0.62 -0.06 -1.28 -0.34 0.00 0.00 178.44 177.37 1n71 h SER 18 N 0.54 -0.19 0.37 1.25 0.87 -0.85 0.01 113.55 115.55 1n71 h SER 18 Ca 0.14 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1n71 h SER 18 Cb 0.22 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 1n71 h SER 18 CO -0.01 -0.08 -0.24 0.44 -0.53 0.00 0.00 176.83 176.41 1n71 h ASP 19 N -0.06 -0.59 -1.01 6.23 3.32 -1.08 0.53 116.42 123.76 1n71 h ASP 19 Ca 0.06 0.04 0.23 0.00 0.02 0.00 0.00 57.03 57.38 1n71 h ASP 19 Cb 0.15 0.18 -0.12 0.00 0.22 0.00 0.00 39.33 39.76 1n71 h ASP 19 CO -0.14 -0.37 0.61 0.25 -1.72 0.00 0.00 179.24 177.87 1n71 h LEU 20 N -0.58 0.67 -0.12 1.55 5.85 -0.67 0.53 115.31 122.54 1n71 h LEU 20 Ca -0.04 0.12 -0.20 0.00 0.84 0.00 0.00 57.88 58.60 1n71 h LEU 20 Cb 0.49 0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.54 1n71 h LEU 20 CO 0.03 0.15 -0.72 -0.07 -0.34 0.00 0.00 178.44 177.49 1n71 h LEU 21 N 0.60 0.84 -0.35 2.25 3.38 -0.54 -2.19 115.31 119.30 1n71 h LEU 21 Ca 0.62 -0.65 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1n71 h LEU 21 Cb 1.18 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1n71 h LEU 21 CO -0.42 1.35 0.03 0.03 0.09 0.00 0.00 178.44 179.52 1n71 h ARG 22 N 0.38 0.59 0.25 1.13 3.08 0.12 0.31 114.38 120.25 1n71 h ARG 22 Ca -0.06 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.81 1n71 h ARG 22 Cb 1.36 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.35 1n71 h ARG 22 CO 0.15 0.69 -0.12 -0.07 -1.07 0.00 0.00 179.97 179.54 1n71 h LEU 23 N 0.41 -0.29 0.19 3.04 3.38 -0.11 -1.42 115.31 120.52 1n71 h LEU 23 Ca 0.10 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1n71 h LEU 23 Cb 0.40 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1n71 h LEU 23 CO 0.01 -0.08 -0.09 0.74 0.09 0.00 0.00 178.44 179.11 1n71 h THR 24 N -0.48 0.83 -2.73 0.22 2.02 -1.39 -3.36 112.91 108.02 1n71 h THR 24 Ca -0.03 -0.10 -0.61 0.00 0.77 0.00 0.00 66.41 66.44 1n71 h THR 24 Cb 0.36 0.89 -0.41 0.00 -1.74 0.00 0.00 68.15 67.25 1n71 h THR 24 CO 0.06 0.02 -0.67 0.79 0.37 0.00 0.00 175.52 176.09 1n71 n TRP 25 N -5.18 2.48 0.15 3.16 8.01 0.10 -4.94 117.44 121.22 1n71 n TRP 25 Ca -0.09 -4.08 0.03 0.00 -1.31 0.00 0.00 57.50 52.05 1n71 n TRP 25 Cb 0.14 -0.46 0.41 0.00 -2.01 0.00 0.00 31.31 29.40 1n71 n TRP 25 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 1n71 h PRO 26 N 5.10 0.15 0.00 -0.99 0.13 -1.41 0.11 132.00 135.09 1n71 h PRO 26 Ca 0.17 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1n71 h PRO 26 Cb 0.76 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1n71 h PRO 26 CO 0.67 0.33 -0.03 1.49 -0.23 0.00 0.00 178.00 180.23 1n71 h GLU 27 N 0.14 0.00 0.00 0.86 4.81 -1.92 -3.25 114.58 115.22 1n71 h GLU 27 Ca 0.03 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 1n71 h GLU 27 Cb 0.40 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1n71 h GLU 27 CO 0.03 0.00 -1.91 -1.91 -0.73 0.00 0.00 179.01 174.49 1n71 n GLU 28 N -3.05 0.64 -3.27 1.92 4.07 -0.97 -4.70 120.64 115.28 1n71 n GLU 28 Ca 0.04 -0.15 -0.25 0.00 -0.06 0.00 0.00 57.16 56.74 1n71 n GLU 28 Cb 0.53 -1.45 -0.07 0.00 -0.06 0.00 0.00 31.44 30.38 1n71 n GLU 28 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1n71 n TYR 29 N -2.22 1.19 0.00 4.31 4.01 0.34 -4.97 117.16 119.83 1n71 n TYR 29 Ca -0.07 -3.79 0.00 0.00 -0.16 0.00 0.00 57.90 53.88 1n71 n TYR 29 Cb 0.56 -0.43 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 1n71 n TYR 29 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1n71 n GLY 30 N 1.13 -0.26 0.00 2.72 0.00 -1.23 -4.35 105.19 103.20 1n71 n GLY 30 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1n71 n GLY 30 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1n71 n ASP 31 N -1.96 0.00 -0.96 1.61 -0.08 -1.26 -4.21 116.55 109.70 1n71 n ASP 31 Ca 0.00 0.39 0.00 0.00 -1.51 0.00 0.00 54.79 53.67 1n71 n ASP 31 Cb 0.00 -0.42 0.00 0.00 2.34 0.00 0.00 41.12 43.04 1n71 n ASP 31 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1n71 n SER 32 N -1.81 1.28 0.11 1.67 7.64 -1.26 -4.31 113.62 116.95 1n71 n SER 32 Ca 0.00 -0.90 -0.07 0.00 1.01 0.00 0.00 58.87 58.91 1n71 n SER 32 Cb 0.00 -0.23 -0.04 0.00 -1.01 0.00 0.00 64.21 62.94 1n71 n SER 32 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1n71 h SER 33 N 1.05 -0.50 -0.00 6.43 0.87 -1.83 0.17 113.55 119.74 1n71 h SER 33 Ca 0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1n71 h SER 33 Cb 0.43 0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1n71 h SER 33 CO 0.00 -0.25 0.21 0.00 -0.53 0.00 0.00 176.83 176.26 1n71 h ALA 34 N -1.46 1.22 0.02 6.23 0.00 -1.92 -0.98 119.26 122.37 1n71 h ALA 34 Ca -0.02 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1n71 h ALA 34 Cb 0.32 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1n71 h ALA 34 CO -0.02 -0.21 -0.45 1.49 0.00 0.00 0.00 179.25 180.06 1n71 h GLU 35 N 0.00 0.27 0.00 0.00 4.57 -1.54 -2.98 114.58 114.90 1n71 h GLU 35 Ca 0.00 -0.32 -0.04 0.00 -1.18 0.00 0.00 59.36 57.83 1n71 h GLU 35 Cb 0.42 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 1n71 h GLU 35 CO -0.00 1.04 -0.17 0.93 -1.18 0.00 0.00 179.01 179.63 1n71 h GLU 36 N -0.37 0.00 -0.47 1.92 5.08 0.58 -1.83 114.58 119.49 1n71 h GLU 36 Ca -0.06 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1n71 h GLU 36 Cb 1.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1n71 h GLU 36 CO 0.09 0.17 0.17 0.28 -1.00 0.00 0.00 179.01 178.72 1n71 h VAL 37 N 0.00 1.22 -0.50 3.13 2.07 -1.34 -1.64 116.25 119.19 1n71 h VAL 37 Ca -0.00 -0.69 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 1n71 h VAL 37 Cb 0.44 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1n71 h VAL 37 CO 0.02 0.25 0.14 -0.08 0.02 0.00 0.00 177.57 177.93 1n71 h GLU 38 N 0.62 0.74 -0.31 1.57 4.57 -1.19 -1.49 114.58 119.10 1n71 h GLU 38 Ca 0.16 -0.13 -0.03 0.00 -1.18 0.00 0.00 59.36 58.18 1n71 h GLU 38 Cb 0.22 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 1n71 h GLU 38 CO -0.01 0.66 0.08 1.49 -1.18 0.00 0.00 179.01 180.05 1n71 h GLU 39 N 0.72 0.45 0.00 1.92 4.81 -0.89 -0.68 114.58 120.90 1n71 h GLU 39 Ca 0.17 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1n71 h GLU 39 Cb 0.24 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1n71 h GLU 39 CO -0.01 0.41 0.00 -1.33 -0.73 0.00 0.00 179.01 177.36 1n71 n MET 40 N -4.37 0.23 0.00 1.92 2.81 -0.60 -2.96 117.12 114.15 1n71 n MET 40 Ca 0.01 0.25 0.14 0.00 -1.81 0.00 0.00 57.70 56.29 1n71 n MET 40 Cb 0.17 -1.80 0.57 0.00 -0.71 0.00 0.00 33.22 31.45 1n71 n MET 40 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1n71 n MET 41 N -2.20 1.05 -1.61 0.03 2.81 -0.27 -4.70 117.12 112.23 1n71 n MET 41 Ca 0.05 -0.48 -0.48 0.00 -1.81 0.00 0.00 57.70 54.97 1n71 n MET 41 Cb 0.38 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.35 1n71 n MET 41 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1n71 n ASN 42 N -0.55 1.94 -0.08 7.83 2.85 -1.16 -4.86 115.26 121.23 1n71 n ASN 42 Ca 0.16 1.13 0.20 0.00 -0.11 0.00 0.00 54.58 55.96 1n71 n ASN 42 Cb 0.30 -1.28 0.64 0.00 1.24 0.00 0.00 39.78 40.67 1n71 n ASN 42 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1n71 h PRO 43 N 4.19 0.13 0.00 1.20 0.11 -1.93 -0.64 132.00 135.05 1n71 h PRO 43 Ca -0.45 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1n71 h PRO 43 Cb 1.32 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1n71 h PRO 43 CO 0.76 0.09 -0.16 1.05 -0.21 0.00 0.00 178.00 179.52 1n71 h GLU 44 N 0.13 0.00 -7.02 1.05 4.11 -1.98 -3.45 114.58 107.43 1n71 h GLU 44 Ca 0.32 0.00 -0.45 0.00 0.07 0.00 0.00 59.36 59.30 1n71 h GLU 44 Cb 1.06 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.37 1n71 h GLU 44 CO -0.04 0.16 0.07 1.03 0.07 0.00 0.00 179.01 180.30 1n71 s ARG 45 N -3.55 2.45 -0.08 1.06 0.52 -0.25 -4.58 118.95 114.52 1n71 s ARG 45 Ca 0.02 -0.54 0.01 0.00 -0.52 0.00 0.00 55.73 54.70 1n71 s ARG 45 Cb 0.09 -2.36 -0.03 0.00 0.52 0.00 0.00 34.95 33.17 1n71 s ARG 45 CO 0.62 -0.89 -0.10 0.42 0.02 0.00 0.00 175.30 175.37 1n71 s ILE 46 N -2.95 3.42 -0.16 1.52 1.01 -0.80 -4.90 121.20 118.35 1n71 s ILE 46 Ca 0.58 -0.58 -0.03 0.00 0.00 0.00 0.00 60.65 60.63 1n71 s ILE 46 Cb -0.10 -2.39 0.05 0.00 0.01 0.00 0.00 42.46 40.03 1n71 s ILE 46 CO 0.41 0.58 0.03 0.00 0.00 0.00 0.00 174.94 175.96 1n71 s ALA 47 N -0.56 0.86 -0.07 9.38 0.00 -1.26 -1.81 121.76 128.30 1n71 s ALA 47 Ca 0.08 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 51.57 1n71 s ALA 47 Cb -0.12 -1.06 -0.01 0.00 0.00 0.00 0.00 23.12 21.93 1n71 s ALA 47 CO 0.02 -1.01 -0.21 0.08 0.00 0.00 0.00 175.76 174.63 1n71 s VAL 48 N 1.92 2.40 0.22 0.00 1.01 -0.23 0.41 120.40 126.13 1n71 s VAL 48 Ca 0.01 -0.94 0.11 0.00 0.00 0.00 0.00 61.98 61.16 1n71 s VAL 48 Cb -0.16 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 1n71 s VAL 48 CO -0.07 0.57 -0.17 0.00 0.00 0.00 0.00 175.10 175.42 1n71 s ALA 49 N -0.13 2.75 -0.24 5.51 0.00 0.49 -1.43 121.76 128.71 1n71 s ALA 49 Ca -0.04 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.26 1n71 s ALA 49 Cb -0.14 -0.45 0.03 0.00 0.00 0.00 0.00 23.12 22.57 1n71 s ALA 49 CO 0.04 0.38 -0.11 0.00 0.00 0.00 0.00 175.76 176.07 1n71 s ALA 50 N -1.96 2.57 -0.08 0.00 0.00 0.44 -1.56 121.76 121.17 1n71 s ALA 50 Ca 0.25 -1.49 0.04 0.00 0.00 0.00 0.00 51.96 50.76 1n71 s ALA 50 Cb -0.07 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.51 1n71 s ALA 50 CO 0.13 -0.81 -0.19 0.08 0.00 0.00 0.00 175.76 174.97 1n71 s VAL 51 N 1.25 1.66 -0.34 0.00 1.01 -0.55 -0.70 120.40 122.73 1n71 s VAL 51 Ca -0.01 -0.80 -0.08 0.00 0.00 0.00 0.00 61.98 61.09 1n71 s VAL 51 Cb -0.17 -1.45 0.03 0.00 0.00 0.00 0.00 36.38 34.79 1n71 s VAL 51 CO -0.07 0.47 0.13 -0.62 0.00 0.00 0.00 175.10 175.02 1n71 s ASP 52 N 0.39 5.41 0.07 3.32 -1.08 0.22 -1.68 116.67 123.31 1n71 s ASP 52 Ca -0.15 -0.97 0.00 0.00 -0.52 0.00 0.00 52.55 50.92 1n71 s ASP 52 Cb -0.16 -1.92 0.00 0.00 -1.46 0.00 0.00 42.92 39.37 1n71 s ASP 52 CO 0.06 -0.31 0.00 0.00 0.52 0.00 0.00 175.17 175.44 1n71 n GLN 53 N 4.89 0.00 0.00 4.34 6.02 -1.26 -0.68 117.38 130.69 1n71 n GLN 53 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.86 1n71 n GLN 53 Cb 0.46 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.72 1n71 n GLN 53 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1n71 n ASP 54 N 4.34 0.31 -4.73 1.08 4.64 -1.26 -5.07 116.55 115.86 1n71 n ASP 54 Ca 0.00 -1.10 -0.35 0.00 -1.38 0.00 0.00 54.79 51.96 1n71 n ASP 54 Cb 0.00 0.00 -0.08 0.00 -1.04 0.00 0.00 41.12 40.00 1n71 n ASP 54 CO 0.00 0.00 0.00 -0.70 -0.82 0.00 0.00 177.20 175.68 1n71 s GLU 55 N -0.10 4.11 -0.33 -0.67 2.12 0.15 -5.01 118.70 118.97 1n71 s GLU 55 Ca 0.00 -0.22 -0.29 0.00 0.36 0.00 0.00 54.97 54.82 1n71 s GLU 55 Cb 0.00 -3.38 0.02 0.00 0.26 0.00 0.00 34.13 31.02 1n71 s GLU 55 CO 0.00 0.34 1.12 -1.17 -0.54 0.00 0.00 175.26 175.01 1n71 s LEU 56 N 0.25 3.90 0.00 2.70 2.96 -1.26 -0.61 118.68 126.61 1n71 s LEU 56 Ca 0.08 1.03 0.11 0.00 -0.22 0.00 0.00 54.13 55.13 1n71 s LEU 56 Cb -0.11 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.94 1n71 s LEU 56 CO -0.01 -0.95 0.53 1.33 -1.32 0.00 0.00 176.35 175.92 1n71 n VAL 57 N 6.02 0.00 -3.54 1.68 0.24 0.12 -4.92 118.33 117.94 1n71 n VAL 57 Ca 0.12 -0.27 -0.14 0.00 -2.04 0.00 0.00 64.34 62.01 1n71 n VAL 57 Cb 0.47 1.03 -0.05 0.00 -1.47 0.00 0.00 33.84 33.82 1n71 n VAL 57 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1n71 s GLY 58 N -1.93 -0.45 -0.08 7.63 0.00 -1.10 -0.59 107.32 110.81 1n71 s GLY 58 Ca 0.06 1.56 -0.12 0.00 0.00 0.00 0.00 44.72 46.21 1n71 s GLY 58 CO 0.42 0.93 0.30 -0.12 0.00 0.00 0.00 173.10 174.63 1n71 s PHE 59 N -1.36 -0.27 -0.03 1.90 5.36 0.14 -0.42 117.98 123.31 1n71 s PHE 59 Ca -0.06 0.59 -0.06 0.00 -0.96 0.00 0.00 56.93 56.44 1n71 s PHE 59 Cb -0.00 0.10 0.01 0.00 -0.34 0.00 0.00 43.02 42.79 1n71 s PHE 59 CO 0.05 -0.25 0.15 -1.50 -1.46 0.00 0.00 175.22 172.21 1n71 s ILE 60 N -0.43 0.04 0.16 3.12 2.07 -0.51 -1.30 121.20 124.34 1n71 s ILE 60 Ca -0.06 -0.29 -0.01 0.00 -1.41 0.00 0.00 60.65 58.89 1n71 s ILE 60 Cb -0.04 -0.31 -0.04 0.00 0.13 0.00 0.00 42.46 42.20 1n71 s ILE 60 CO 0.02 -0.16 0.08 -0.83 -1.91 0.00 0.00 174.94 172.14 1n71 s GLY 61 N -0.53 1.21 -0.05 1.50 0.00 -0.48 -1.07 107.32 107.90 1n71 s GLY 61 Ca -0.06 -1.58 -0.05 0.00 0.00 0.00 0.00 44.72 43.03 1n71 s GLY 61 CO 0.01 -1.39 0.14 0.00 0.00 0.00 0.00 173.10 171.85 1n71 s ALA 62 N -4.06 -0.33 -0.14 3.20 0.00 -0.75 -0.34 121.76 119.34 1n71 s ALA 62 Ca 0.30 0.39 -0.00 0.00 0.00 0.00 0.00 51.96 52.65 1n71 s ALA 62 Cb 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 1n71 s ALA 62 CO 0.06 -0.07 -0.13 0.42 0.00 0.00 0.00 175.76 176.05 1n71 s ILE 63 N 0.10 3.02 -0.35 0.00 1.01 0.00 -1.90 121.20 123.08 1n71 s ILE 63 Ca -0.00 -0.67 -0.29 0.00 0.00 0.00 0.00 60.65 59.69 1n71 s ILE 63 Cb -0.01 -2.27 0.01 0.00 0.01 0.00 0.00 42.46 40.20 1n71 s ILE 63 CO 0.00 0.52 1.23 -2.16 0.00 0.00 0.00 174.94 174.53 1n71 s PRO 64 N 0.48 3.88 -0.11 2.79 0.04 -1.26 -0.44 135.00 140.38 1n71 s PRO 64 Ca -0.09 1.05 0.15 0.00 0.04 0.00 0.00 61.00 62.15 1n71 s PRO 64 Cb -0.16 -3.87 -0.22 0.00 0.04 0.00 0.00 34.50 30.29 1n71 s PRO 64 CO 0.04 -1.17 0.16 1.04 0.04 0.00 0.00 177.00 177.12 1n71 n GLN 65 N 7.39 1.09 -3.87 4.56 1.13 0.07 -4.85 117.38 122.90 1n71 n GLN 65 Ca 0.14 -0.06 -0.30 0.00 -1.94 0.00 0.00 57.00 54.84 1n71 n GLN 65 Cb 0.47 -1.41 -0.15 0.00 0.11 0.00 0.00 30.24 29.26 1n71 n GLN 65 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 1n71 s TYR 66 N -2.66 2.71 0.00 1.08 1.51 -0.33 -4.99 117.35 114.67 1n71 s TYR 66 Ca -0.07 -2.35 0.00 0.00 -1.01 0.00 0.00 57.07 53.63 1n71 s TYR 66 Cb 0.07 -2.30 0.00 0.00 -0.11 0.00 0.00 41.96 39.62 1n71 s TYR 66 CO 0.68 -0.91 0.00 0.41 -1.11 0.00 0.00 175.55 174.62 1n71 n GLY 67 N 4.56 3.03 0.36 0.71 0.00 -1.26 -1.19 105.19 111.40 1n71 n GLY 67 Ca 0.01 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.06 1n71 n GLY 67 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1n71 n ILE 68 N 0.00 0.00 0.03 -0.61 -5.35 -1.26 -4.68 119.36 107.49 1n71 n ILE 68 Ca 0.00 -0.40 -0.21 0.00 -0.27 0.00 0.00 62.75 61.87 1n71 n ILE 68 Cb 0.00 1.19 -0.14 0.00 -1.74 0.00 0.00 39.64 38.94 1n71 n ILE 68 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1n71 h THR 69 N 1.75 1.29 -3.47 7.28 1.35 -1.36 -3.08 112.91 116.67 1n71 h THR 69 Ca 0.00 -2.47 -0.66 0.00 -0.55 0.00 0.00 66.41 62.73 1n71 h THR 69 Cb 0.47 2.97 -0.26 0.00 -1.73 0.00 0.00 68.15 69.60 1n71 h THR 69 CO 0.00 0.70 -0.69 -0.83 -0.25 0.00 0.00 175.52 174.45 1n71 s GLY 70 N -4.67 1.66 0.03 5.82 0.00 -0.44 -0.85 107.32 108.86 1n71 s GLY 70 Ca -0.17 -1.17 0.07 0.00 0.00 0.00 0.00 44.72 43.46 1n71 s GLY 70 CO 0.80 0.47 -0.20 -0.98 0.00 0.00 0.00 173.10 173.18 1n71 s TRP 71 N 1.52 2.51 -0.24 1.90 0.52 -0.14 -0.75 118.94 124.26 1n71 s TRP 71 Ca 0.06 -0.29 -0.09 0.00 0.02 0.00 0.00 56.10 55.79 1n71 s TRP 71 Cb -0.15 -1.47 -0.04 0.00 -1.15 0.00 0.00 33.47 30.66 1n71 s TRP 71 CO -0.01 0.20 0.13 -2.00 0.02 0.00 0.00 176.95 175.28 1n71 s GLU 72 N -1.26 3.94 -0.21 4.98 2.12 0.42 -0.61 118.70 128.07 1n71 s GLU 72 Ca 0.13 -0.34 -0.29 0.00 0.36 0.00 0.00 54.97 54.83 1n71 s GLU 72 Cb -0.10 -3.46 -0.01 0.00 0.26 0.00 0.00 34.13 30.82 1n71 s GLU 72 CO 0.04 -0.01 1.32 -1.17 -0.54 0.00 0.00 175.26 174.90 1n71 s LEU 73 N 1.20 4.06 -0.30 2.70 0.20 0.18 -0.82 118.68 125.91 1n71 s LEU 73 Ca 0.06 1.54 -0.17 0.00 0.69 0.00 0.00 54.13 56.26 1n71 s LEU 73 Cb -0.14 -3.54 0.18 0.00 -0.43 0.00 0.00 46.19 42.26 1n71 s LEU 73 CO 0.05 -0.92 1.13 -2.28 -0.29 0.00 0.00 176.35 174.05 1n71 s HIS 74 N 3.95 -0.36 0.17 5.38 2.46 0.54 -4.74 115.29 122.69 1n71 s HIS 74 Ca 0.57 0.65 0.02 0.00 0.47 0.00 0.00 55.06 56.77 1n71 s HIS 74 Cb -0.21 0.22 0.02 0.00 -0.13 0.00 0.00 32.58 32.48 1n71 s HIS 74 CO 0.19 -0.18 0.20 -0.35 -2.47 0.00 0.00 174.74 172.14 1n71 n PRO 75 N 4.32 0.98 -3.60 2.88 -0.04 -1.26 -3.71 135.00 134.57 1n71 n PRO 75 Ca -0.11 -0.92 -0.19 0.00 -0.04 0.00 0.00 63.50 62.23 1n71 n PRO 75 Cb 0.55 -0.03 -0.15 0.00 -0.04 0.00 0.00 33.50 33.83 1n71 n PRO 75 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1n71 s LEU 76 N 0.00 -0.00 -0.05 1.53 2.96 -1.26 -1.39 118.68 120.48 1n71 s LEU 76 Ca 0.16 -0.02 -0.04 0.00 -0.22 0.00 0.00 54.13 54.01 1n71 s LEU 76 Cb -0.01 0.20 0.01 0.00 0.50 0.00 0.00 46.19 46.89 1n71 s LEU 76 CO 0.10 -0.29 0.12 0.54 -1.32 0.00 0.00 176.35 175.50 1n71 s VAL 77 N 2.27 -0.00 -0.04 1.68 0.11 -0.42 -5.02 120.40 118.98 1n71 s VAL 77 Ca 0.04 0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.13 1n71 s VAL 77 Cb -0.14 -0.18 0.01 0.00 -1.53 0.00 0.00 36.38 34.54 1n71 s VAL 77 CO -0.08 0.01 -0.11 -0.69 -3.33 0.00 0.00 175.10 170.89 1n71 s VAL 78 N 0.15 0.98 0.09 2.04 1.01 -1.26 -0.68 120.40 122.72 1n71 s VAL 78 Ca -0.01 -0.44 -0.36 0.00 0.00 0.00 0.00 61.98 61.17 1n71 s VAL 78 Cb -0.02 -0.88 -0.17 0.00 0.00 0.00 0.00 36.38 35.31 1n71 s VAL 78 CO -0.00 0.31 1.26 -0.62 0.00 0.00 0.00 175.10 176.04 1n71 n GLU 79 N 3.48 0.97 0.32 2.72 1.02 0.24 -4.75 120.64 124.63 1n71 n GLU 79 Ca -0.20 0.35 0.18 0.00 -0.02 0.00 0.00 57.16 57.46 1n71 n GLU 79 Cb 0.53 -1.94 0.95 0.00 -0.02 0.00 0.00 31.44 30.96 1n71 n GLU 79 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1n71 h SER 80 N 4.08 0.00 -0.02 1.62 4.64 -1.98 0.18 113.55 122.08 1n71 h SER 80 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1n71 h SER 80 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1n71 h SER 80 CO 0.74 0.00 -0.00 -1.54 -0.87 0.00 0.00 176.83 175.16 1n71 n SER 81 N -2.87 1.96 -0.05 4.97 3.41 -1.26 -4.09 113.62 115.69 1n71 n SER 81 Ca -0.02 -1.65 0.02 0.00 -0.26 0.00 0.00 58.87 56.96 1n71 n SER 81 Cb 0.23 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.21 1n71 n SER 81 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1n71 n ARG 82 N 0.53 1.89 -1.52 4.33 5.12 0.64 -5.08 116.66 122.57 1n71 n ARG 82 Ca 0.17 -1.53 -0.29 0.00 -1.93 0.00 0.00 57.85 54.27 1n71 n ARG 82 Cb 0.43 -0.99 0.12 0.00 -1.16 0.00 0.00 32.46 30.86 1n71 n ARG 82 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1n71 s ARG 83 N -1.17 1.50 -1.16 5.56 0.52 -1.14 -4.21 118.95 118.85 1n71 s ARG 83 Ca 0.07 0.46 0.00 0.00 -0.52 0.00 0.00 55.73 55.74 1n71 s ARG 83 Cb 0.06 -1.87 0.00 0.00 0.52 0.00 0.00 34.95 33.67 1n71 s ARG 83 CO 0.01 -1.98 0.00 1.63 0.02 0.00 0.00 175.30 174.97 1n71 n LYS 84 N -3.65 -1.02 -2.77 3.54 4.76 -1.26 -4.92 118.16 112.84 1n71 n LYS 84 Ca 0.07 0.68 -0.02 0.00 -2.87 0.00 0.00 58.31 56.17 1n71 n LYS 84 Cb 0.58 -4.88 0.05 0.00 -1.84 0.00 0.00 35.03 28.94 1n71 n LYS 84 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1n71 n ASN 85 N -0.44 1.85 0.00 4.39 4.05 -1.26 -5.00 115.26 118.86 1n71 n ASN 85 Ca -0.15 -2.17 0.00 0.00 0.45 0.00 0.00 54.58 52.71 1n71 n ASN 85 Cb 0.59 -0.47 0.00 0.00 1.23 0.00 0.00 39.78 41.13 1n71 n ASN 85 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1n71 n GLN 86 N -0.61 -0.71 -0.11 1.20 1.13 -1.26 -4.87 117.38 112.15 1n71 n GLN 86 Ca 0.10 0.18 -0.09 0.00 -1.94 0.00 0.00 57.00 55.25 1n71 n GLN 86 Cb 0.81 -4.12 -0.01 0.00 0.11 0.00 0.00 30.24 27.03 1n71 n GLN 86 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1n71 h ILE 87 N 0.00 1.16 -0.69 5.09 2.04 -1.94 -0.58 117.51 122.59 1n71 h ILE 87 Ca 0.00 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 1n71 h ILE 87 Cb 0.35 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 1n71 h ILE 87 CO 0.00 0.17 0.36 1.23 0.00 0.00 0.00 178.15 179.90 1n71 h GLY 88 N 0.43 1.04 0.94 5.37 0.00 -1.94 -1.03 103.07 107.89 1n71 h GLY 88 Ca 0.12 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 1n71 h GLY 88 CO -0.02 0.47 0.10 -0.84 0.00 0.00 0.00 176.54 176.26 1n71 h THR 89 N 0.95 1.10 -0.52 4.70 2.02 -1.90 -0.66 112.91 118.61 1n71 h THR 89 Ca 0.24 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 1n71 h THR 89 Cb 0.08 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 1n71 h THR 89 CO -0.03 0.10 0.21 0.03 0.37 0.00 0.00 175.52 176.19 1n71 h ARG 90 N 0.20 0.74 -0.26 6.66 3.08 -0.91 -0.63 114.38 123.26 1n71 h ARG 90 Ca 0.07 -0.11 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 1n71 h ARG 90 Cb 0.07 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1n71 h ARG 90 CO -0.01 0.61 -0.12 -0.07 -1.07 0.00 0.00 179.97 179.30 1n71 h LEU 91 N 0.74 0.57 -0.37 3.04 3.38 -0.81 -1.67 115.31 120.18 1n71 h LEU 91 Ca 0.18 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1n71 h LEU 91 Cb 0.14 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1n71 h LEU 91 CO -0.02 0.85 0.13 0.58 0.09 0.00 0.00 178.44 180.07 1n71 h VAL 92 N 0.29 1.21 -0.51 1.22 2.07 -0.79 -0.23 116.25 119.50 1n71 h VAL 92 Ca 0.06 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 1n71 h VAL 92 Cb 0.63 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1n71 h VAL 92 CO 0.04 0.23 0.16 0.78 0.02 0.00 0.00 177.57 178.80 1n71 h ASN 93 N 0.45 0.69 -0.34 0.57 2.35 -1.12 -0.42 115.58 117.77 1n71 h ASN 93 Ca 0.12 -0.10 -0.16 0.00 -0.55 0.00 0.00 56.30 55.61 1n71 h ASN 93 Cb 0.23 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 1n71 h ASN 93 CO -0.01 0.66 -0.43 0.22 -1.65 0.00 0.00 177.43 176.22 1n71 h TYR 94 N 0.74 1.09 -0.37 1.19 5.03 -1.04 -2.45 116.97 121.15 1n71 h TYR 94 Ca 0.17 -0.35 0.01 0.00 2.58 0.00 0.00 58.73 61.14 1n71 h TYR 94 Cb 0.22 -0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.25 1n71 h TYR 94 CO 0.01 1.17 0.24 1.25 -1.32 0.00 0.00 178.16 179.51 1n71 h LEU 95 N 0.70 0.40 -1.03 2.82 5.85 -0.52 -1.92 115.31 121.62 1n71 h LEU 95 Ca 0.04 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.82 1n71 h LEU 95 Cb 1.03 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.90 1n71 h LEU 95 CO 0.10 0.29 0.64 -0.33 -0.34 0.00 0.00 178.44 178.81 1n71 h GLU 96 N 0.49 1.13 -0.50 1.25 5.08 -0.95 0.26 114.58 121.34 1n71 h GLU 96 Ca 0.14 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1n71 h GLU 96 Cb -0.04 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 28.94 1n71 h GLU 96 CO -0.04 0.75 0.11 0.87 -1.00 0.00 0.00 179.01 179.70 1n71 h LYS 97 N 1.17 0.82 -0.42 2.33 1.57 -1.01 -1.55 116.57 119.47 1n71 h LYS 97 Ca 0.42 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.97 1n71 h LYS 97 Cb 0.15 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1n71 h LYS 97 CO -0.16 0.79 0.14 0.93 -0.57 0.00 0.00 179.45 180.58 1n71 h GLU 98 N 0.70 0.65 -0.25 3.15 4.39 -0.54 -1.79 114.58 120.90 1n71 h GLU 98 Ca 0.16 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 1n71 h GLU 98 Cb 0.35 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1n71 h GLU 98 CO 0.00 0.64 0.10 0.28 -1.16 0.00 0.00 179.01 178.87 1n71 h VAL 99 N 0.54 1.18 -0.77 3.13 2.07 -0.90 -2.83 116.25 118.66 1n71 h VAL 99 Ca 0.14 -0.54 0.07 0.00 0.82 0.00 0.00 66.70 67.19 1n71 h VAL 99 Cb 0.25 1.06 -0.06 0.00 -1.52 0.00 0.00 31.29 31.02 1n71 h VAL 99 CO -0.01 0.18 0.45 0.00 0.02 0.00 0.00 177.57 178.21 1n71 h ALA 100 N 0.94 1.07 0.00 1.67 0.00 -1.17 -0.72 119.26 121.04 1n71 h ALA 100 Ca 0.08 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1n71 h ALA 100 Cb 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1n71 h ALA 100 CO -0.01 0.13 0.00 0.66 0.00 0.00 0.00 179.25 180.03 1n71 h SER 101 N 0.80 0.00 -0.75 0.00 4.64 -1.07 -0.53 113.55 116.64 1n71 h SER 101 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1n71 h SER 101 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1n71 h SER 101 CO -0.20 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.30 1n71 n ARG 102 N -2.54 2.76 -0.43 4.77 1.74 -0.38 -4.91 116.66 117.66 1n71 n ARG 102 Ca -0.01 -2.69 0.00 0.00 -0.77 0.00 0.00 57.85 54.38 1n71 n ARG 102 Cb 0.11 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 1n71 n ARG 102 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n71 n GLY 103 N 1.67 0.77 3.76 -0.13 0.00 -0.21 -4.94 105.19 106.11 1n71 n GLY 103 Ca 0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 1n71 n GLY 103 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n71 s GLY 104 N -1.86 2.80 -0.11 -0.02 0.00 -0.61 -4.43 107.32 103.08 1n71 s GLY 104 Ca 0.00 1.04 -0.02 0.00 0.00 0.00 0.00 44.72 45.74 1n71 s GLY 104 CO 0.00 1.50 -0.12 1.39 0.00 0.00 0.00 173.10 175.88 1n71 n ILE 105 N -0.68 0.65 -4.03 0.90 5.41 -0.03 -4.41 119.36 117.16 1n71 n ILE 105 Ca 0.08 -0.22 -0.10 0.00 1.00 0.00 0.00 62.75 63.51 1n71 n ILE 105 Cb 0.47 -1.18 -0.11 0.00 -0.71 0.00 0.00 39.64 38.11 1n71 n ILE 105 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1n71 s THR 106 N -2.22 0.31 -0.06 1.39 -1.32 -0.68 -0.89 115.64 112.16 1n71 s THR 106 Ca -0.16 -1.13 0.04 0.00 -1.21 0.00 0.00 61.69 59.23 1n71 s THR 106 Cb 0.05 -0.60 0.00 0.00 -1.51 0.00 0.00 72.50 70.44 1n71 s THR 106 CO 0.24 -0.53 -0.17 -0.63 -2.21 0.00 0.00 174.62 171.31 1n71 s ILE 107 N -1.82 1.49 0.23 5.08 1.01 -0.47 -0.96 121.20 125.76 1n71 s ILE 107 Ca -0.10 -0.72 0.04 0.00 0.00 0.00 0.00 60.65 59.87 1n71 s ILE 107 Cb -0.07 -1.30 -0.05 0.00 0.01 0.00 0.00 42.46 41.04 1n71 s ILE 107 CO -0.02 0.43 -0.03 -0.72 0.00 0.00 0.00 174.94 174.61 1n71 s TYR 108 N 0.29 1.58 0.18 3.97 1.13 0.22 -1.35 117.35 123.36 1n71 s TYR 108 Ca -0.10 -0.86 -0.17 0.00 -1.41 0.00 0.00 57.07 54.52 1n71 s TYR 108 Cb -0.14 -0.90 0.03 0.00 -1.10 0.00 0.00 41.96 39.85 1n71 s TYR 108 CO 0.04 0.03 0.49 -0.48 -2.51 0.00 0.00 175.55 173.12 1n71 s LEU 109 N -3.31 0.13 -0.15 -3.49 0.05 -0.03 -0.65 118.68 111.23 1n71 s LEU 109 Ca 0.27 -0.42 0.01 0.00 0.05 0.00 0.00 54.13 54.04 1n71 s LEU 109 Cb 0.05 2.08 0.02 0.00 -2.05 0.00 0.00 46.19 46.29 1n71 s LEU 109 CO 0.08 -1.00 -0.16 -0.83 -0.55 0.00 0.00 176.35 173.89 1n71 s GLY 110 N -2.85 1.21 -0.23 -3.48 0.00 -1.26 -1.16 107.32 99.55 1n71 s GLY 110 Ca 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 43.80 1n71 s GLY 110 CO -0.06 0.40 -0.11 -1.08 0.00 0.00 0.00 173.10 172.25 1n71 s THR 111 N 1.35 2.51 0.57 0.90 -1.32 0.25 -4.88 115.64 115.01 1n71 s THR 111 Ca 0.03 -1.14 -0.14 0.00 -1.21 0.00 0.00 61.69 59.24 1n71 s THR 111 Cb -0.13 -2.26 -0.06 0.00 -1.51 0.00 0.00 72.50 68.54 1n71 s THR 111 CO -0.10 0.24 1.01 -1.81 -2.21 0.00 0.00 174.62 171.74 1n71 s ASP 112 N 1.27 6.41 -0.44 8.08 1.11 -1.26 -0.97 116.67 130.87 1n71 s ASP 112 Ca -0.01 1.49 0.02 0.00 0.18 0.00 0.00 52.55 54.24 1n71 s ASP 112 Cb -0.16 -2.49 0.13 0.00 1.07 0.00 0.00 42.92 41.47 1n71 s ASP 112 CO -0.07 -0.74 0.22 -0.62 1.18 0.00 0.00 175.17 175.14 1n71 s ASP 113 N -3.66 3.91 0.10 0.27 -1.08 -0.58 -4.90 116.67 110.73 1n71 s ASP 113 Ca 0.57 -2.58 0.22 0.00 -0.52 0.00 0.00 52.55 50.23 1n71 s ASP 113 Cb -0.10 -1.19 -0.13 0.00 -1.46 0.00 0.00 42.92 40.03 1n71 s ASP 113 CO 0.43 -0.28 0.81 0.18 0.52 0.00 0.00 175.17 176.83 1n71 n LEU 114 N 3.62 0.54 -2.54 -1.34 4.77 -1.26 -3.83 117.00 116.96 1n71 n LEU 114 Ca 0.06 0.21 -0.19 0.00 -0.03 0.00 0.00 56.01 56.07 1n71 n LEU 114 Cb 0.35 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.44 1n71 n LEU 114 CO 0.25 -0.08 0.06 0.47 -1.33 0.00 0.00 177.39 176.76 1n71 n ASP 115 N -2.55 3.27 -3.90 -1.43 8.00 -1.26 -4.96 116.55 113.72 1n71 n ASP 115 Ca -0.03 -3.25 -0.27 0.00 0.71 0.00 0.00 54.79 51.96 1n71 n ASP 115 Cb 0.60 -0.48 -0.01 0.00 -0.02 0.00 0.00 41.12 41.21 1n71 n ASP 115 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1n71 n HIS 116 N -0.33 -1.69 0.17 1.24 -0.00 -1.26 -4.88 115.22 108.47 1n71 n HIS 116 Ca 0.26 0.68 0.11 0.00 -0.00 0.00 0.00 57.72 58.77 1n71 n HIS 116 Cb 0.75 -3.70 0.10 0.00 -0.00 0.00 0.00 29.99 27.13 1n71 n HIS 116 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 1n71 h GLY 117 N -1.87 0.00 -2.45 1.57 0.00 -1.93 -3.42 103.07 94.98 1n71 h GLY 117 Ca -0.64 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 46.40 1n71 h GLY 117 CO 0.59 0.00 -0.61 -0.51 0.00 0.00 0.00 176.54 176.01 1n71 s THR 118 N -3.23 0.26 -1.94 4.70 -4.23 -1.26 -0.30 115.64 109.64 1n71 s THR 118 Ca 0.04 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.78 1n71 s THR 118 Cb 0.07 -2.56 0.62 0.00 1.34 0.00 0.00 72.50 71.96 1n71 s THR 118 CO 0.72 0.00 1.73 0.35 -0.54 0.00 0.00 174.62 176.87 1n71 n THR 119 N -0.37 0.04 0.73 3.99 -2.24 -0.99 -2.87 114.28 112.56 1n71 n THR 119 Ca 0.01 0.01 0.13 0.00 -2.27 0.00 0.00 64.05 61.93 1n71 n THR 119 Cb 0.66 -0.65 0.32 0.00 -2.10 0.00 0.00 70.33 68.56 1n71 n THR 119 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1n71 n LEU 120 N -1.03 0.59 -4.98 3.22 4.77 -1.26 -4.83 117.00 113.47 1n71 n LEU 120 Ca 0.16 0.34 -0.20 0.00 -0.03 0.00 0.00 56.01 56.28 1n71 n LEU 120 Cb 0.09 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1n71 n LEU 120 CO 0.13 -0.05 0.12 -0.94 -1.33 0.00 0.00 177.39 175.32 1n71 s SER 121 N -3.92 5.92 -1.32 -1.43 1.04 -1.14 -4.53 113.70 108.34 1n71 s SER 121 Ca 0.10 -0.07 -0.03 0.00 0.48 0.00 0.00 55.95 56.43 1n71 s SER 121 Cb 0.15 -1.30 0.01 0.00 0.10 0.00 0.00 66.02 64.98 1n71 s SER 121 CO 0.65 -0.51 0.88 0.00 0.98 0.00 0.00 173.24 175.24 1n71 n GLN 122 N -1.76 -5.84 -3.55 4.02 6.02 -0.62 -4.98 117.38 110.66 1n71 n GLN 122 Ca 0.00 0.71 -0.13 0.00 -0.01 0.00 0.00 57.00 57.57 1n71 n GLN 122 Cb 0.58 -5.50 -0.05 0.00 1.02 0.00 0.00 30.24 26.29 1n71 n GLN 122 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1n71 s THR 123 N -3.49 0.00 -0.53 5.09 -1.32 -1.26 -5.11 115.64 109.03 1n71 s THR 123 Ca 0.16 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.36 1n71 s THR 123 Cb -0.08 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.93 1n71 s THR 123 CO 0.78 0.00 1.32 -0.62 -2.21 0.00 0.00 174.62 173.89 1n71 s ASP 124 N -1.22 6.32 0.00 8.08 -1.08 -1.26 -4.76 116.67 122.74 1n71 s ASP 124 Ca -0.04 0.37 0.18 0.00 -0.52 0.00 0.00 52.55 52.53 1n71 s ASP 124 Cb -0.00 -2.55 0.81 0.00 -1.46 0.00 0.00 42.92 39.72 1n71 s ASP 124 CO 0.03 -1.54 1.55 0.18 0.52 0.00 0.00 175.17 175.92 1n71 n LEU 125 N 8.91 0.00 0.09 -1.34 4.77 -1.26 -2.23 117.00 125.94 1n71 n LEU 125 Ca 0.12 0.41 0.13 0.00 -0.03 0.00 0.00 56.01 56.64 1n71 n LEU 125 Cb 0.49 -0.41 0.39 0.00 -2.33 0.00 0.00 43.42 41.56 1n71 n LEU 125 CO 0.71 -0.17 0.84 -1.22 -1.33 0.00 0.00 177.39 176.22 1n71 n TYR 126 N -1.41 0.84 -3.50 -1.77 4.01 -1.26 -3.77 117.16 110.31 1n71 n TYR 126 Ca 0.06 0.25 -0.40 0.00 -0.16 0.00 0.00 57.90 57.65 1n71 n TYR 126 Cb 0.18 -0.89 -0.10 0.00 -0.31 0.00 0.00 39.34 38.22 1n71 n TYR 126 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1n71 s GLU 127 N -3.10 3.72 -1.46 -0.72 0.41 -0.95 -4.31 118.70 112.30 1n71 s GLU 127 Ca 0.10 -0.40 -0.11 0.00 -0.41 0.00 0.00 54.97 54.16 1n71 s GLU 127 Cb 0.13 -3.74 0.05 0.00 -1.78 0.00 0.00 34.13 28.78 1n71 s GLU 127 CO 0.61 -0.36 0.98 0.72 -0.49 0.00 0.00 175.26 176.72 1n71 n HIS 128 N 5.19 -2.46 -0.21 1.61 8.25 -1.26 -4.87 115.22 121.46 1n71 n HIS 128 Ca -0.12 0.87 -0.06 0.00 -0.26 0.00 0.00 57.72 58.16 1n71 n HIS 128 Cb 0.50 -4.39 -0.05 0.00 1.12 0.00 0.00 29.99 27.18 1n71 n HIS 128 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1n71 n THR 129 N -4.75 -0.35 0.22 1.59 -1.04 -1.25 -1.29 114.28 107.42 1n71 n THR 129 Ca 0.01 1.94 0.11 0.00 -2.04 0.00 0.00 64.05 64.06 1n71 n THR 129 Cb 0.55 -2.46 0.37 0.00 -1.82 0.00 0.00 70.33 66.97 1n71 n THR 129 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 1n71 h PHE 130 N 0.00 0.00 -0.23 -1.42 0.04 -1.90 -2.19 116.94 111.24 1n71 h PHE 130 Ca 0.08 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.69 1n71 h PHE 130 Cb 0.21 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 1n71 h PHE 130 CO -0.97 0.16 -0.50 0.22 -0.60 0.00 0.00 178.31 176.62 1n71 h ASP 131 N 0.00 0.69 -0.48 2.17 1.82 -1.80 -0.64 116.42 118.17 1n71 h ASP 131 Ca -0.00 -0.35 -0.11 0.00 -0.39 0.00 0.00 57.03 56.18 1n71 h ASP 131 Cb 0.86 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.66 1n71 h ASP 131 CO 0.02 1.07 -0.13 0.11 -1.61 0.00 0.00 179.24 178.70 1n71 h LYS 132 N 0.49 0.94 -0.26 0.28 1.57 -0.98 -1.28 116.57 117.34 1n71 h LYS 132 Ca 0.02 -0.37 -0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1n71 h LYS 132 Cb 1.05 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 1n71 h LYS 132 CO 0.10 1.03 0.15 0.28 -0.57 0.00 0.00 179.45 180.44 1n71 h VAL 133 N 0.79 1.11 -0.14 0.50 2.07 -1.21 -1.40 116.25 117.97 1n71 h VAL 133 Ca 0.12 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 1n71 h VAL 133 Cb 0.69 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1n71 h VAL 133 CO 0.05 0.11 -0.15 0.00 0.02 0.00 0.00 177.57 177.60 1n71 h ALA 134 N 1.04 1.49 -0.63 1.67 0.00 -0.98 -2.80 119.26 119.05 1n71 h ALA 134 Ca 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1n71 h ALA 134 Cb 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1n71 h ALA 134 CO -0.02 0.36 0.00 -1.13 0.00 0.00 0.00 179.25 178.46 1n71 n SER 135 N -4.26 4.93 -4.60 0.00 3.41 -0.49 -5.01 113.62 107.60 1n71 n SER 135 Ca -0.01 -2.54 -0.42 0.00 -0.26 0.00 0.00 58.87 55.64 1n71 n SER 135 Cb 0.28 -0.60 0.01 0.00 -0.26 0.00 0.00 64.21 63.63 1n71 n SER 135 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n71 n ILE 136 N 1.02 2.30 -4.60 -1.33 3.06 -0.56 -5.00 119.36 114.26 1n71 n ILE 136 Ca 0.26 -0.50 -0.22 0.00 -2.50 0.00 0.00 62.75 59.79 1n71 n ILE 136 Cb 0.95 -1.09 -0.15 0.00 0.54 0.00 0.00 39.64 39.90 1n71 n ILE 136 CO 0.00 0.00 0.00 -1.10 -2.50 0.00 0.00 176.55 172.95 1n71 s GLN 137 N -1.90 1.09 -0.48 9.51 -1.52 -1.26 -4.99 119.66 120.12 1n71 s GLN 137 Ca 0.62 -0.52 -0.24 0.00 -1.95 0.00 0.00 55.36 53.27 1n71 s GLN 137 Cb -0.59 -1.06 0.03 0.00 -0.22 0.00 0.00 33.01 31.17 1n71 s GLN 137 CO 0.58 0.29 0.85 1.21 -0.25 0.00 0.00 175.29 177.96 1n71 s ASN 138 N -0.42 6.41 -0.08 5.90 3.84 -1.26 -2.34 114.94 126.99 1n71 s ASN 138 Ca 0.05 -0.14 -0.19 0.00 0.21 0.00 0.00 52.86 52.79 1n71 s ASN 138 Cb -0.06 -2.41 -0.29 0.00 -0.55 0.00 0.00 41.25 37.95 1n71 s ASN 138 CO -0.00 -1.02 0.69 -0.07 -2.79 0.00 0.00 177.10 173.91 1n71 h LEU 139 N 10.41 0.40 -4.85 3.21 3.38 -0.98 -3.42 115.31 123.46 1n71 h LEU 139 Ca -0.25 -0.89 -0.50 0.00 0.09 0.00 0.00 57.88 56.33 1n71 h LEU 139 Cb 1.08 -0.13 -0.41 0.00 0.09 0.00 0.00 40.66 41.29 1n71 h LEU 139 CO 1.00 1.51 -0.91 0.54 0.09 0.00 0.00 178.44 180.68 1n71 n ARG 140 N -4.03 2.47 -3.81 1.13 1.74 -0.45 -4.96 116.66 108.76 1n71 n ARG 140 Ca -0.20 -4.04 -0.24 0.00 -0.77 0.00 0.00 57.85 52.60 1n71 n ARG 140 Cb 0.86 -1.87 0.01 0.00 -1.02 0.00 0.00 32.46 30.43 1n71 n ARG 140 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1n71 n GLU 141 N -0.27 -3.86 -2.40 5.56 1.02 -1.26 -4.92 120.64 114.52 1n71 n GLU 141 Ca 0.27 0.51 -0.40 0.00 -0.02 0.00 0.00 57.16 57.52 1n71 n GLU 141 Cb 0.69 -4.81 -0.04 0.00 -0.02 0.00 0.00 31.44 27.26 1n71 n GLU 141 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1n71 s HIS 142 N -3.78 3.46 -1.38 -0.32 2.46 -1.26 -4.92 115.29 109.55 1n71 s HIS 142 Ca 0.04 1.62 0.06 0.00 0.47 0.00 0.00 55.06 57.25 1n71 s HIS 142 Cb -0.01 -3.38 0.31 0.00 -0.13 0.00 0.00 32.58 29.37 1n71 s HIS 142 CO 0.85 -0.87 1.06 -0.35 -2.47 0.00 0.00 174.74 172.96 1n71 n PRO 143 N 1.27 0.08 -0.17 2.88 -0.04 -1.26 -2.93 135.00 134.83 1n71 n PRO 143 Ca -0.00 0.25 0.02 0.00 -0.04 0.00 0.00 63.50 63.72 1n71 n PRO 143 Cb 0.44 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.70 1n71 n PRO 143 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 1n71 h TYR 144 N 0.00 0.84 0.00 0.54 -0.00 -1.95 -0.37 116.97 116.02 1n71 h TYR 144 Ca 0.00 0.02 -0.05 0.00 -0.00 0.00 0.00 58.73 58.70 1n71 h TYR 144 Cb 0.06 -0.28 -0.01 0.00 -0.00 0.00 0.00 36.73 36.50 1n71 h TYR 144 CO 0.00 0.52 -0.23 1.49 -0.00 0.00 0.00 178.16 179.94 1n71 h GLU 145 N 0.89 0.00 -0.26 0.10 4.81 -1.94 -0.87 114.58 117.32 1n71 h GLU 145 Ca 0.26 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 1n71 h GLU 145 Cb -0.06 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1n71 h GLU 145 CO -0.06 0.23 0.12 0.35 -0.73 0.00 0.00 179.01 178.92 1n71 h PHE 146 N 0.00 0.37 -0.52 0.92 3.57 -1.27 -1.87 116.94 118.14 1n71 h PHE 146 Ca -0.00 -0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.36 1n71 h PHE 146 Cb 0.44 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 1n71 h PHE 146 CO 0.00 0.35 -0.14 1.88 -2.23 0.00 0.00 178.31 178.18 1n71 h TYR 147 N 0.28 1.12 -0.73 0.41 0.05 -1.16 -2.86 116.97 114.09 1n71 h TYR 147 Ca 0.09 -0.24 0.08 0.00 0.05 0.00 0.00 58.73 58.71 1n71 h TYR 147 Cb 0.12 -0.27 -0.06 0.00 1.01 0.00 0.00 36.73 37.52 1n71 h TYR 147 CO -0.02 1.05 0.40 0.93 -1.05 0.00 0.00 178.16 179.47 1n71 h GLU 148 N 0.88 0.68 0.00 4.88 5.08 -0.96 0.10 114.58 125.25 1n71 h GLU 148 Ca 0.13 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1n71 h GLU 148 Cb 0.70 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1n71 h GLU 148 CO 0.05 0.45 0.00 0.87 -1.00 0.00 0.00 179.01 179.39 1n71 h LYS 149 N 0.71 0.00 -0.62 2.33 1.57 -1.12 -0.88 116.57 118.55 1n71 h LYS 149 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1n71 h LYS 149 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1n71 h LYS 149 CO -0.22 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 179.94 1n71 n LEU 150 N -2.80 3.37 0.00 2.94 4.77 0.26 -4.92 117.00 120.63 1n71 n LEU 150 Ca -0.01 -1.69 0.00 0.00 -0.03 0.00 0.00 56.01 54.29 1n71 n LEU 150 Cb 0.17 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1n71 n LEU 150 CO 0.21 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 1n71 n GLY 151 N 1.44 0.69 3.85 -0.72 0.00 -0.34 -5.07 105.19 105.03 1n71 n GLY 151 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 1n71 n GLY 151 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n71 s TYR 152 N -2.30 3.40 0.04 1.61 1.51 -0.68 -4.74 117.35 116.20 1n71 s TYR 152 Ca 0.00 1.26 0.06 0.00 -1.01 0.00 0.00 57.07 57.38 1n71 s TYR 152 Cb 0.00 -2.59 -0.02 0.00 -0.11 0.00 0.00 41.96 39.24 1n71 s TYR 152 CO 0.00 -0.04 -0.18 0.21 -1.11 0.00 0.00 175.55 174.43 1n71 s LYS 153 N -3.35 1.22 -0.16 -0.62 2.20 -0.35 -3.96 119.74 114.72 1n71 s LYS 153 Ca 0.55 -0.86 -0.29 0.00 -0.36 0.00 0.00 55.97 55.01 1n71 s LYS 153 Cb -0.10 -1.29 -0.02 0.00 -1.51 0.00 0.00 37.83 34.91 1n71 s LYS 153 CO 0.22 0.33 1.32 0.42 -0.36 0.00 0.00 175.35 177.27 1n71 s ILE 154 N -0.80 4.19 -0.60 5.43 1.01 -1.26 -1.07 121.20 128.09 1n71 s ILE 154 Ca 0.05 1.43 0.05 0.00 0.00 0.00 0.00 60.65 62.19 1n71 s ILE 154 Cb -0.08 -3.93 0.08 0.00 0.01 0.00 0.00 42.46 38.54 1n71 s ILE 154 CO 0.02 -0.14 0.85 1.33 0.00 0.00 0.00 174.94 176.99 1n71 n VAL 155 N 5.42 0.38 0.00 2.92 0.24 0.14 -4.96 118.33 122.47 1n71 n VAL 155 Ca 0.14 -0.69 0.00 0.00 -2.04 0.00 0.00 64.34 61.75 1n71 n VAL 155 Cb 0.45 0.88 0.00 0.00 -1.47 0.00 0.00 33.84 33.69 1n71 n VAL 155 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1n71 n GLY 156 N 0.19 0.66 3.07 7.63 0.00 -1.08 -5.00 105.19 110.67 1n71 n GLY 156 Ca 0.04 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 1n71 n GLY 156 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1n71 s VAL 157 N -2.00 0.12 -0.45 1.61 -7.23 -1.26 -0.40 120.40 110.79 1n71 s VAL 157 Ca 0.00 -0.97 0.01 0.00 -1.81 0.00 0.00 61.98 59.21 1n71 s VAL 157 Cb 0.00 -0.62 0.12 0.00 0.56 0.00 0.00 36.38 36.44 1n71 s VAL 157 CO 0.00 -0.54 0.21 -0.22 -0.31 0.00 0.00 175.10 174.25 1n71 s LEU 158 N -1.77 4.87 0.23 1.32 2.96 -0.09 -4.95 118.68 121.25 1n71 s LEU 158 Ca -0.10 -2.46 -0.32 0.00 -0.22 0.00 0.00 54.13 51.03 1n71 s LEU 158 Cb -0.05 -1.72 -0.13 0.00 0.50 0.00 0.00 46.19 44.79 1n71 s LEU 158 CO -0.02 -0.38 1.53 -2.65 -1.32 0.00 0.00 176.35 173.50 1n71 n PRO 159 N 3.92 2.31 -2.14 0.98 -0.02 -1.26 -2.55 135.00 136.23 1n71 n PRO 159 Ca 0.03 0.82 -0.16 0.00 -2.02 0.00 0.00 63.50 62.17 1n71 n PRO 159 Cb 0.39 -2.56 -0.03 0.00 -0.02 0.00 0.00 33.50 31.28 1n71 n PRO 159 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1n71 n ASN 160 N 2.66 -4.70 -0.08 2.55 3.02 -1.26 -4.89 115.26 112.57 1n71 n ASN 160 Ca 0.13 0.19 -0.07 0.00 -0.03 0.00 0.00 54.58 54.80 1n71 n ASN 160 Cb 0.32 -4.04 -0.01 0.00 -0.61 0.00 0.00 39.78 35.45 1n71 n ASN 160 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n71 h ALA 161 N 0.83 0.17 -0.57 5.41 0.00 -1.48 -2.46 119.26 121.16 1n71 h ALA 161 Ca -0.37 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1n71 h ALA 161 Cb 1.22 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1n71 h ALA 161 CO 0.47 -0.48 0.00 0.09 0.00 0.00 0.00 179.25 179.33 1n71 n ASN 162 N -5.26 5.59 0.00 0.00 3.02 -0.38 -5.02 115.26 113.20 1n71 n ASN 162 Ca -0.00 -2.89 0.00 0.00 -0.03 0.00 0.00 54.58 51.66 1n71 n ASN 162 Cb 0.18 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 38.68 1n71 n ASN 162 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n71 n GLY 163 N 0.64 2.48 3.66 7.41 0.00 -0.93 -4.88 105.19 113.57 1n71 n GLY 163 Ca 0.27 -2.05 -0.49 0.00 0.00 0.00 0.00 46.02 43.75 1n71 n GLY 163 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1n71 n TRP 164 N -1.30 2.08 -2.93 1.61 7.02 -1.26 -2.12 117.44 120.54 1n71 n TRP 164 Ca 0.00 0.32 -0.20 0.00 -1.02 0.00 0.00 57.50 56.60 1n71 n TRP 164 Cb 0.00 -2.51 0.01 0.00 -2.42 0.00 0.00 31.31 26.39 1n71 n TRP 164 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1n71 n ASP 165 N 4.14 -4.85 -3.43 -0.99 8.00 -1.26 -4.88 116.55 113.28 1n71 n ASP 165 Ca 0.20 -0.18 -0.26 0.00 0.71 0.00 0.00 54.79 55.25 1n71 n ASP 165 Cb 0.25 -3.99 -0.09 0.00 -0.02 0.00 0.00 41.12 37.27 1n71 n ASP 165 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1n71 n LYS 166 N -3.55 1.33 -1.64 -1.24 5.02 -0.90 -1.59 118.16 115.59 1n71 n LYS 166 Ca -0.10 -3.86 -0.29 0.00 -2.02 0.00 0.00 58.31 52.03 1n71 n LYS 166 Cb 0.60 -1.81 0.11 0.00 -0.02 0.00 0.00 35.03 33.92 1n71 n LYS 166 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1n71 s PRO 167 N -1.35 1.58 -0.05 1.97 0.04 -1.25 -1.25 135.00 134.69 1n71 s PRO 167 Ca 0.34 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.70 1n71 s PRO 167 Cb 0.10 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.72 1n71 s PRO 167 CO -0.11 -1.90 -0.01 0.34 0.04 0.00 0.00 177.00 175.36 1n71 s ASP 168 N -4.15 5.06 -0.21 6.66 2.15 -1.06 -1.53 116.67 123.59 1n71 s ASP 168 Ca 0.63 0.05 -0.04 0.00 0.43 0.00 0.00 52.55 53.61 1n71 s ASP 168 Cb -0.14 -1.35 -0.01 0.00 -0.30 0.00 0.00 42.92 41.12 1n71 s ASP 168 CO 0.52 0.34 -0.04 -0.63 -0.17 0.00 0.00 175.17 175.19 1n71 s ILE 169 N -0.95 3.47 -0.17 4.11 1.01 -0.14 -0.91 121.20 127.63 1n71 s ILE 169 Ca 0.15 -0.46 -0.17 0.00 0.00 0.00 0.00 60.65 60.17 1n71 s ILE 169 Cb -0.11 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 1n71 s ILE 169 CO 0.05 0.42 0.44 0.26 0.00 0.00 0.00 174.94 176.12 1n71 s TRP 170 N 1.37 3.42 0.11 3.97 0.51 0.47 -0.58 118.94 128.20 1n71 s TRP 170 Ca 0.04 0.74 0.08 0.00 -2.12 0.00 0.00 56.10 54.84 1n71 s TRP 170 Cb -0.14 -2.55 -0.04 0.00 -0.81 0.00 0.00 33.47 29.93 1n71 s TRP 170 CO -0.02 0.04 -0.20 -1.64 -0.51 0.00 0.00 176.95 174.62 1n71 s MET 171 N 1.11 1.13 0.10 4.98 -1.94 -0.31 -0.68 119.30 123.69 1n71 s MET 171 Ca 0.22 -1.19 -0.14 0.00 -1.71 0.00 0.00 55.69 52.87 1n71 s MET 171 Cb -0.15 -1.35 0.02 0.00 2.01 0.00 0.00 34.83 35.37 1n71 s MET 171 CO 0.09 0.31 0.33 0.00 -0.01 0.00 0.00 175.02 175.73 1n71 s ALA 172 N -1.31 -0.71 -0.13 3.03 0.00 -0.23 -0.85 121.76 121.55 1n71 s ALA 172 Ca 0.07 -0.18 -0.10 0.00 0.00 0.00 0.00 51.96 51.75 1n71 s ALA 172 Cb -0.09 0.57 0.04 0.00 0.00 0.00 0.00 23.12 23.64 1n71 s ALA 172 CO 0.04 -0.57 0.33 0.21 0.00 0.00 0.00 175.76 175.78 1n71 s LYS 173 N -3.59 0.36 -0.24 0.00 2.20 -0.46 -1.21 119.74 116.80 1n71 s LYS 173 Ca 0.02 0.53 -0.15 0.00 -0.36 0.00 0.00 55.97 56.01 1n71 s LYS 173 Cb 0.02 0.10 -0.04 0.00 -1.51 0.00 0.00 37.83 36.40 1n71 s LYS 173 CO -0.10 -0.08 0.38 0.99 -0.36 0.00 0.00 175.35 176.17 1n71 s THR 174 N 0.57 5.19 -2.49 3.43 2.01 -1.26 -1.37 115.64 121.72 1n71 s THR 174 Ca -0.03 0.62 0.26 0.00 0.31 0.00 0.00 61.69 62.85 1n71 s THR 174 Cb -0.05 -3.71 0.49 0.00 0.01 0.00 0.00 72.50 69.25 1n71 s THR 174 CO -0.03 0.21 1.64 2.30 -0.69 0.00 0.00 174.62 178.05 1n71 n ILE 175 N 4.71 0.07 -4.22 1.82 -5.35 -0.07 -4.94 119.36 111.39 1n71 n ILE 175 Ca -0.09 -0.31 -0.12 0.00 -0.27 0.00 0.00 62.75 61.96 1n71 n ILE 175 Cb 0.51 0.57 -0.10 0.00 -1.74 0.00 0.00 39.64 38.88 1n71 n ILE 175 CO 0.00 0.00 0.00 0.27 -1.76 0.00 0.00 176.55 175.06 1n71 s ILE 176 N -1.93 0.61 0.40 7.28 -4.36 -1.26 -5.01 121.20 116.92 1n71 s ILE 176 Ca 0.36 -1.96 -0.27 0.00 -0.26 0.00 0.00 60.65 58.51 1n71 s ILE 176 Cb 0.20 -2.03 -0.10 0.00 1.25 0.00 0.00 42.46 41.78 1n71 s ILE 176 CO 0.31 -0.54 1.47 -2.65 0.24 0.00 0.00 174.94 173.76 1n71 n PRO 177 N -0.19 2.53 -2.76 0.37 -0.02 -1.26 -4.97 135.00 128.70 1n71 n PRO 177 Ca -0.07 0.89 -0.41 0.00 -2.02 0.00 0.00 63.50 61.89 1n71 n PRO 177 Cb 0.63 -2.65 -0.05 0.00 -0.02 0.00 0.00 33.50 31.41 1n71 n PRO 177 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1n71 s ARG 178 N -2.21 4.74 0.12 -0.52 3.52 -1.26 -4.97 118.95 118.37 1n71 s ARG 178 Ca 0.56 1.43 -0.35 0.00 -0.13 0.00 0.00 55.73 57.24 1n71 s ARG 178 Cb -0.47 -3.34 -0.16 0.00 -1.56 0.00 0.00 34.95 29.43 1n71 s ARG 178 CO 0.62 0.34 1.40 -2.30 -0.81 0.00 0.00 175.30 174.55 1n71 n PRO 179 N 2.29 1.51 0.00 5.12 -0.02 -1.26 -5.31 135.00 137.33 1n71 n PRO 179 Ca 0.00 0.54 0.01 0.00 -2.02 0.00 0.00 63.50 62.03 1n71 n PRO 179 Cb 0.48 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1n71 n PRO 179 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08