#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 -0.01 -0.20 1.12 -1.09 0.33 -4.88 121.20 116.47 1n71 s ILE 2 Ca 0.00 0.02 -0.05 0.00 -2.23 0.00 0.00 60.65 58.39 1n71 s ILE 2 Cb 0.00 -0.44 -0.03 0.00 -1.58 0.00 0.00 42.46 40.41 1n71 s ILE 2 CO 0.00 0.01 0.00 -0.63 -1.23 0.00 0.00 174.94 173.09 1n71 s ILE 3 N 0.34 4.04 0.39 2.92 1.09 -1.26 -0.72 121.20 127.99 1n71 s ILE 3 Ca -0.01 -0.29 -0.14 0.00 -1.10 0.00 0.00 60.65 59.11 1n71 s ILE 3 Cb -0.03 -2.82 0.05 0.00 -1.06 0.00 0.00 42.46 38.60 1n71 s ILE 3 CO -0.01 0.43 0.75 -0.94 -0.10 0.00 0.00 174.94 175.08 1n71 s SER 4 N 0.90 0.15 0.30 3.58 1.04 -0.58 -5.00 113.70 114.09 1n71 s SER 4 Ca 0.01 -1.22 -0.29 0.00 0.48 0.00 0.00 55.95 54.93 1n71 s SER 4 Cb -0.14 0.84 -0.10 0.00 0.10 0.00 0.00 66.02 66.71 1n71 s SER 4 CO 0.02 -1.66 1.40 -1.61 0.98 0.00 0.00 173.24 172.36 1n71 s GLU 5 N -2.32 4.28 0.18 4.02 2.02 -1.26 -0.81 118.70 124.82 1n71 s GLU 5 Ca 0.18 2.31 -0.30 0.00 0.02 0.00 0.00 54.97 57.17 1n71 s GLU 5 Cb -0.04 -3.07 -0.09 0.00 0.10 0.00 0.00 34.13 31.02 1n71 s GLU 5 CO 0.13 -0.35 1.37 0.12 0.02 0.00 0.00 175.26 176.55 1n71 s PHE 6 N -0.60 3.20 -0.86 1.61 2.19 0.82 -4.70 117.98 119.62 1n71 s PHE 6 Ca 0.54 1.08 -0.25 0.00 0.33 0.00 0.00 56.93 58.63 1n71 s PHE 6 Cb -0.42 -3.68 0.03 0.00 -1.31 0.00 0.00 43.02 37.64 1n71 s PHE 6 CO 0.50 -2.25 1.46 0.34 1.83 0.00 0.00 175.22 177.10 1n71 s ASP 7 N 0.59 6.14 0.02 6.13 -1.08 -1.26 -4.84 116.67 122.37 1n71 s ASP 7 Ca 0.60 -0.83 0.04 0.00 -0.52 0.00 0.00 52.55 51.84 1n71 s ASP 7 Cb -0.38 -2.56 0.17 0.00 -1.46 0.00 0.00 42.92 38.69 1n71 s ASP 7 CO 0.37 -1.82 1.12 0.54 0.52 0.00 0.00 175.17 175.89 1n71 n ARG 8 N 9.11 0.01 -0.31 4.34 1.74 -1.26 -1.67 116.66 128.62 1n71 n ARG 8 Ca 0.20 0.46 0.08 0.00 -0.77 0.00 0.00 57.85 57.83 1n71 n ARG 8 Cb 0.50 -1.52 0.24 0.00 -1.02 0.00 0.00 32.46 30.65 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 -1.54 3.53 -4.38 0.55 3.02 -1.26 -4.89 115.26 110.29 1n71 n ASN 9 Ca 0.01 -2.14 -0.45 0.00 -0.03 0.00 0.00 54.58 51.97 1n71 n ASN 9 Cb 0.03 -0.37 -0.06 0.00 -0.61 0.00 0.00 39.78 38.77 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 -1.07 6.17 0.26 6.41 3.84 -0.67 -4.94 114.94 124.95 1n71 s ASN 10 Ca 0.35 -1.37 -0.03 0.00 0.21 0.00 0.00 52.86 52.03 1n71 s ASN 10 Cb 0.20 -2.22 0.39 0.00 -0.55 0.00 0.00 41.25 39.07 1n71 s ASN 10 CO 0.21 -0.79 1.89 -0.65 -2.79 0.00 0.00 177.10 174.97 1n71 h PRO 11 N 8.87 1.16 -0.10 0.43 0.11 -1.90 -1.57 132.00 139.00 1n71 h PRO 11 Ca -0.29 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.75 1n71 h PRO 11 Cb 1.10 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 1n71 h PRO 11 CO 0.95 0.77 0.04 0.28 -0.21 0.00 0.00 178.00 179.83 1n71 h VAL 12 N 1.20 1.16 -0.47 3.15 2.07 -1.98 -1.37 116.25 120.00 1n71 h VAL 12 Ca 0.43 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 1n71 h VAL 12 Cb 0.14 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1n71 h VAL 12 CO -0.17 0.14 0.28 -0.07 0.02 0.00 0.00 177.57 177.78 1n71 h LEU 13 N -0.01 0.57 -2.25 2.57 3.38 -1.88 -1.60 115.31 116.08 1n71 h LEU 13 Ca 0.03 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1n71 h LEU 13 Cb 0.19 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1n71 h LEU 13 CO -0.00 0.46 -0.05 0.11 0.09 0.00 0.00 178.44 179.05 1n71 h LYS 14 N 0.62 0.00 -0.04 1.13 1.57 -1.15 0.64 116.57 119.34 1n71 h LYS 14 Ca 0.17 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.85 1n71 h LYS 14 Cb -0.00 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.32 1n71 h LYS 14 CO -0.03 0.05 -0.35 -0.44 -0.57 0.00 0.00 179.45 178.11 1n71 h ASP 15 N 0.00 0.38 -0.73 0.86 3.32 -0.34 -2.31 116.42 117.60 1n71 h ASP 15 Ca -0.00 -0.70 -0.01 0.00 0.02 0.00 0.00 57.03 56.34 1n71 h ASP 15 Cb 0.15 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1n71 h ASP 15 CO 0.01 1.02 0.42 1.56 -1.72 0.00 0.00 179.24 180.52 1n71 h GLN 16 N -0.23 1.02 -0.77 3.56 4.20 -0.51 -0.47 115.11 121.91 1n71 h GLN 16 Ca -0.03 -0.11 0.03 0.00 0.06 0.00 0.00 58.65 58.60 1n71 h GLN 16 Cb 1.04 -0.20 -0.05 0.00 0.30 0.00 0.00 27.48 28.57 1n71 h GLN 16 CO 0.07 0.75 0.49 1.25 -0.67 0.00 0.00 178.83 180.71 1n71 h LEU 17 N 1.01 0.80 -0.06 1.46 5.85 -0.93 0.36 115.31 123.80 1n71 h LEU 17 Ca 0.26 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.99 1n71 h LEU 17 Cb 0.01 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1n71 h LEU 17 CO -0.04 0.55 -0.01 -1.28 -0.34 0.00 0.00 178.44 177.31 1n71 h SER 18 N 0.95 -0.05 -0.49 1.25 0.87 -0.72 -0.29 113.55 115.06 1n71 h SER 18 Ca 0.31 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.86 1n71 h SER 18 Cb 0.02 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 1n71 h SER 18 CO -0.11 -0.02 0.19 0.44 -0.53 0.00 0.00 176.83 176.80 1n71 h ASP 19 N 0.00 0.69 -0.56 6.23 3.32 -0.50 -1.49 116.42 124.11 1n71 h ASP 19 Ca 0.03 -0.18 0.06 0.00 0.02 0.00 0.00 57.03 56.96 1n71 h ASP 19 Cb 0.04 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.36 1n71 h ASP 19 CO -0.06 0.68 0.28 0.25 -1.72 0.00 0.00 179.24 178.67 1n71 h LEU 20 N 0.65 0.39 -0.31 1.55 5.85 0.02 0.52 115.31 123.98 1n71 h LEU 20 Ca 0.16 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 1n71 h LEU 20 Cb 0.21 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1n71 h LEU 20 CO -0.01 0.26 0.05 -0.07 -0.34 0.00 0.00 178.44 178.32 1n71 h LEU 21 N 0.53 0.50 0.56 2.25 3.38 -0.85 -1.49 115.31 120.19 1n71 h LEU 21 Ca 0.26 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1n71 h LEU 21 Cb 0.19 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.81 1n71 h LEU 21 CO -0.19 0.64 -0.27 0.03 0.09 0.00 0.00 178.44 178.74 1n71 h ARG 22 N 0.35 -0.72 -0.83 1.13 3.08 -0.75 0.35 114.38 116.98 1n71 h ARG 22 Ca 0.10 0.05 0.18 0.00 0.07 0.00 0.00 59.98 60.37 1n71 h ARG 22 Cb 0.35 0.16 -0.06 0.00 0.08 0.00 0.00 29.97 30.51 1n71 h ARG 22 CO 0.01 -0.43 0.55 -0.07 -1.07 0.00 0.00 179.97 178.97 1n71 h LEU 23 N -0.90 0.38 0.01 3.04 3.38 0.00 -2.69 115.31 118.53 1n71 h LEU 23 Ca -0.08 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 1n71 h LEU 23 Cb 0.63 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1n71 h LEU 23 CO 0.13 0.17 -0.45 0.74 0.09 0.00 0.00 178.44 179.11 1n71 h THR 24 N 0.39 1.50 -2.96 0.22 2.02 -1.07 -3.43 112.91 109.58 1n71 h THR 24 Ca 0.42 -2.31 -0.62 0.00 0.77 0.00 0.00 66.41 64.68 1n71 h THR 24 Cb 1.05 3.01 -0.41 0.00 -1.74 0.00 0.00 68.15 70.06 1n71 h THR 24 CO -0.14 0.53 -0.66 0.26 0.37 0.00 0.00 175.52 175.87 1n71 s TRP 25 N -2.28 2.98 0.35 3.16 0.51 0.12 -4.96 118.94 118.83 1n71 s TRP 25 Ca -0.22 -3.08 0.03 0.00 -2.12 0.00 0.00 56.10 50.70 1n71 s TRP 25 Cb 0.00 -2.33 0.63 0.00 -0.81 0.00 0.00 33.47 30.97 1n71 s TRP 25 CO 0.67 -0.63 1.98 -1.35 -0.51 0.00 0.00 176.95 177.12 1n71 h PRO 26 N 5.60 0.77 0.00 4.98 0.11 -1.69 0.23 132.00 142.00 1n71 h PRO 26 Ca 0.14 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1n71 h PRO 26 Cb 0.80 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1n71 h PRO 26 CO 0.64 0.55 0.00 0.93 -0.21 0.00 0.00 178.00 179.91 1n71 h GLU 27 N 0.79 0.00 0.00 1.05 3.07 -1.92 -3.32 114.58 114.24 1n71 h GLU 27 Ca 0.21 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.74 1n71 h GLU 27 Cb -0.02 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 27.83 1n71 h GLU 27 CO -0.04 0.00 -2.23 -1.91 -1.40 0.00 0.00 179.01 173.43 1n71 n GLU 28 N -2.79 0.92 -4.65 2.33 4.07 -0.98 -5.04 120.64 114.50 1n71 n GLU 28 Ca 0.04 0.04 -0.30 0.00 -0.06 0.00 0.00 57.16 56.89 1n71 n GLU 28 Cb 0.46 -1.45 -0.08 0.00 -0.06 0.00 0.00 31.44 30.31 1n71 n GLU 28 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 1n71 s TYR 29 N -2.43 1.84 0.00 4.31 2.02 0.77 -4.96 117.35 118.90 1n71 s TYR 29 Ca -0.17 -1.10 0.00 0.00 -0.37 0.00 0.00 57.07 55.43 1n71 s TYR 29 Cb 0.06 -1.41 0.00 0.00 -0.40 0.00 0.00 41.96 40.21 1n71 s TYR 29 CO 0.64 -0.01 0.00 0.41 -1.57 0.00 0.00 175.55 175.02 1n71 n GLY 30 N -1.10 2.01 0.14 0.71 0.00 -1.26 -4.41 105.19 101.27 1n71 n GLY 30 Ca -0.13 -0.48 -0.15 0.00 0.00 0.00 0.00 46.02 45.25 1n71 n GLY 30 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1n71 h ASP 31 N 0.00 0.45 -0.51 1.61 1.82 -1.93 -3.30 116.42 114.56 1n71 h ASP 31 Ca 0.00 -0.67 -0.15 0.00 -0.39 0.00 0.00 57.03 55.82 1n71 h ASP 31 Cb 0.00 -0.13 -0.09 0.00 0.68 0.00 0.00 39.33 39.78 1n71 h ASP 31 CO 0.00 1.05 0.12 -1.20 -1.61 0.00 0.00 179.24 177.60 1n71 n SER 32 N -4.36 3.95 0.18 2.28 7.64 -1.26 -4.68 113.62 117.37 1n71 n SER 32 Ca -0.09 -3.31 -0.15 0.00 1.01 0.00 0.00 58.87 56.34 1n71 n SER 32 Cb 0.54 -0.66 -0.07 0.00 -1.01 0.00 0.00 64.21 63.01 1n71 n SER 32 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1n71 h SER 33 N 1.94 -0.95 0.02 6.43 4.64 -1.91 0.69 113.55 124.42 1n71 h SER 33 Ca 0.19 0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1n71 h SER 33 Cb 1.92 0.34 -0.00 0.00 -0.31 0.00 0.00 62.40 64.35 1n71 h SER 33 CO 0.51 -0.46 -0.02 0.00 -0.87 0.00 0.00 176.83 175.99 1n71 h ALA 34 N -0.11 1.82 -0.12 5.18 0.00 -1.86 0.25 119.26 124.42 1n71 h ALA 34 Ca -0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 1n71 h ALA 34 Cb 0.62 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1n71 h ALA 34 CO -0.12 0.02 -0.68 1.49 0.00 0.00 0.00 179.25 179.96 1n71 h GLU 35 N 0.00 0.50 0.02 0.00 4.57 -1.39 -3.06 114.58 115.22 1n71 h GLU 35 Ca -0.00 -0.38 -0.22 0.00 -1.18 0.00 0.00 59.36 57.58 1n71 h GLU 35 Cb 0.04 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 1n71 h GLU 35 CO 0.00 1.00 -1.03 0.93 -1.18 0.00 0.00 179.01 178.73 1n71 h GLU 36 N 0.36 0.04 -0.89 1.92 4.39 0.19 -3.25 114.58 117.34 1n71 h GLU 36 Ca -0.02 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 59.62 1n71 h GLU 36 Cb 1.25 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.89 1n71 h GLU 36 CO 0.12 1.03 0.59 0.28 -1.16 0.00 0.00 179.01 179.88 1n71 h VAL 37 N 0.01 1.22 -0.35 3.13 2.07 -0.56 -1.39 116.25 120.39 1n71 h VAL 37 Ca -0.03 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 67.03 1n71 h VAL 37 Cb 1.79 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1n71 h VAL 37 CO 0.14 0.22 -0.01 -0.08 0.02 0.00 0.00 177.57 177.86 1n71 h GLU 38 N 1.20 0.55 -0.71 1.57 4.57 -1.56 -2.03 114.58 118.16 1n71 h GLU 38 Ca 0.33 -0.12 -0.04 0.00 -1.18 0.00 0.00 59.36 58.34 1n71 h GLU 38 Cb -0.12 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.36 1n71 h GLU 38 CO -0.08 0.58 0.27 0.93 -1.18 0.00 0.00 179.01 179.54 1n71 h GLU 39 N 0.52 1.07 0.00 1.92 5.08 -1.33 -1.36 114.58 120.49 1n71 h GLU 39 Ca 0.11 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1n71 h GLU 39 Cb 0.35 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1n71 h GLU 39 CO 0.01 0.89 0.00 0.52 -1.00 0.00 0.00 179.01 179.43 1n71 h MET 40 N 1.02 0.00 0.00 2.33 2.86 -0.88 -2.44 114.93 117.82 1n71 h MET 40 Ca 0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1n71 h MET 40 Cb 0.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1n71 h MET 40 CO -0.02 0.00 -0.14 -1.33 1.06 0.00 0.00 176.91 176.48 1n71 n MET 41 N -2.98 0.16 -1.52 1.72 2.81 -0.52 -4.69 117.12 112.09 1n71 n MET 41 Ca 0.00 0.11 -0.53 0.00 -1.81 0.00 0.00 57.70 55.47 1n71 n MET 41 Cb 0.25 -1.66 -0.06 0.00 -0.71 0.00 0.00 33.22 31.04 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 -1.93 0.51 -0.03 7.83 2.85 -0.92 -4.84 115.26 118.72 1n71 n ASN 42 Ca 0.06 1.14 0.17 0.00 -0.11 0.00 0.00 54.58 55.84 1n71 n ASN 42 Cb 0.39 -1.07 0.62 0.00 1.24 0.00 0.00 39.78 40.97 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 3.05 0.14 0.00 1.20 0.11 -1.91 -1.21 132.00 133.37 1n71 h PRO 43 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1n71 h PRO 43 Cb 1.39 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.47 1n71 h PRO 43 CO 0.67 0.09 0.00 1.05 -0.21 0.00 0.00 178.00 179.60 1n71 h GLU 44 N 0.14 0.00 -6.80 1.05 4.11 -1.98 -3.45 114.58 107.66 1n71 h GLU 44 Ca 0.26 0.00 -0.45 0.00 0.07 0.00 0.00 59.36 59.24 1n71 h GLU 44 Cb 0.86 0.00 0.04 0.00 0.50 0.00 0.00 28.75 30.14 1n71 h GLU 44 CO -0.04 0.00 -0.04 1.03 0.07 0.00 0.00 179.01 180.04 1n71 s ARG 45 N -3.46 2.85 -0.11 1.06 0.52 -0.46 -4.53 118.95 114.82 1n71 s ARG 45 Ca 0.04 -0.54 -0.02 0.00 -0.52 0.00 0.00 55.73 54.69 1n71 s ARG 45 Cb 0.08 -2.50 -0.03 0.00 0.52 0.00 0.00 34.95 33.02 1n71 s ARG 45 CO 0.56 -0.49 -0.02 0.42 0.02 0.00 0.00 175.30 175.80 1n71 s ILE 46 N -2.69 4.13 -0.12 1.52 1.01 -0.87 -4.91 121.20 119.28 1n71 s ILE 46 Ca 0.52 -0.30 -0.01 0.00 0.00 0.00 0.00 60.65 60.86 1n71 s ILE 46 Cb -0.10 -2.76 0.03 0.00 0.01 0.00 0.00 42.46 39.65 1n71 s ILE 46 CO 0.39 0.56 -0.03 0.00 0.00 0.00 0.00 174.94 175.87 1n71 s ALA 47 N -0.45 1.10 -0.04 9.38 0.00 -1.26 -1.91 121.76 128.58 1n71 s ALA 47 Ca 0.08 -0.49 0.05 0.00 0.00 0.00 0.00 51.96 51.60 1n71 s ALA 47 Cb -0.12 -0.94 -0.01 0.00 0.00 0.00 0.00 23.12 22.05 1n71 s ALA 47 CO 0.02 -0.63 -0.20 0.08 0.00 0.00 0.00 175.76 175.03 1n71 s VAL 48 N 1.80 1.62 0.10 0.00 1.01 -0.14 -0.13 120.40 124.67 1n71 s VAL 48 Ca 0.03 -0.84 0.09 0.00 0.00 0.00 0.00 61.98 61.26 1n71 s VAL 48 Cb -0.14 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 1n71 s VAL 48 CO -0.07 0.46 -0.22 0.00 0.00 0.00 0.00 175.10 175.27 1n71 s ALA 49 N -0.15 1.89 -0.26 5.51 0.00 0.01 -1.35 121.76 127.42 1n71 s ALA 49 Ca -0.01 -1.26 -0.05 0.00 0.00 0.00 0.00 51.96 50.65 1n71 s ALA 49 Cb -0.11 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.73 1n71 s ALA 49 CO 0.02 0.40 0.01 0.00 0.00 0.00 0.00 175.76 176.18 1n71 s ALA 50 N -1.09 2.92 -0.11 0.00 0.00 -0.14 -1.52 121.76 121.81 1n71 s ALA 50 Ca 0.08 -1.34 0.03 0.00 0.00 0.00 0.00 51.96 50.73 1n71 s ALA 50 Cb -0.10 -1.91 0.01 0.00 0.00 0.00 0.00 23.12 21.12 1n71 s ALA 50 CO 0.04 -0.72 -0.21 0.08 0.00 0.00 0.00 175.76 174.95 1n71 s VAL 51 N 1.46 1.88 -0.42 0.00 1.01 0.10 -0.91 120.40 123.53 1n71 s VAL 51 Ca 0.03 -0.90 -0.09 0.00 0.00 0.00 0.00 61.98 61.02 1n71 s VAL 51 Cb -0.16 -1.65 0.08 0.00 0.00 0.00 0.00 36.38 34.65 1n71 s VAL 51 CO -0.01 0.52 0.26 -0.62 0.00 0.00 0.00 175.10 175.25 1n71 s ASP 52 N 0.56 5.62 0.00 3.32 2.15 0.47 0.12 116.67 128.90 1n71 s ASP 52 Ca -0.14 -1.57 0.00 0.00 0.43 0.00 0.00 52.55 51.27 1n71 s ASP 52 Cb -0.17 -1.98 0.00 0.00 -0.30 0.00 0.00 42.92 40.47 1n71 s ASP 52 CO 0.05 -0.55 0.00 0.00 -0.17 0.00 0.00 175.17 174.50 1n71 n GLN 53 N 4.90 0.00 0.00 4.34 6.02 -1.26 -1.21 117.38 130.17 1n71 n GLN 53 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 1n71 n GLN 53 Cb 0.43 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.69 1n71 n GLN 53 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1n71 n ASP 54 N 4.64 0.03 -4.58 1.08 8.00 -1.26 -4.91 116.55 119.56 1n71 n ASP 54 Ca 0.00 -1.02 -0.36 0.00 0.71 0.00 0.00 54.79 54.12 1n71 n ASP 54 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 1n71 n ASP 54 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1n71 s GLU 55 N -0.02 3.90 -0.36 -1.24 2.12 -0.35 -5.02 118.70 117.74 1n71 s GLU 55 Ca 0.00 -0.36 -0.29 0.00 0.36 0.00 0.00 54.97 54.68 1n71 s GLU 55 Cb 0.00 -3.39 0.00 0.00 0.26 0.00 0.00 34.13 31.00 1n71 s GLU 55 CO 0.00 0.02 1.40 -1.17 -0.54 0.00 0.00 175.26 174.98 1n71 s LEU 56 N 1.10 3.70 0.00 2.70 2.96 -1.26 -0.40 118.68 127.49 1n71 s LEU 56 Ca 0.06 1.02 0.14 0.00 -0.22 0.00 0.00 54.13 55.13 1n71 s LEU 56 Cb -0.14 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 1n71 s LEU 56 CO 0.04 -1.32 0.74 1.33 -1.32 0.00 0.00 176.35 175.83 1n71 n VAL 57 N 6.76 0.00 -3.53 1.68 0.24 -0.09 -4.94 118.33 118.45 1n71 n VAL 57 Ca 0.16 -0.33 -0.12 0.00 -2.04 0.00 0.00 64.34 62.02 1n71 n VAL 57 Cb 0.47 1.14 -0.04 0.00 -1.47 0.00 0.00 33.84 33.94 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 -1.80 -0.42 -0.10 7.63 0.00 -1.09 -1.10 107.32 110.44 1n71 s GLY 58 Ca 0.10 1.45 -0.18 0.00 0.00 0.00 0.00 44.72 46.09 1n71 s GLY 58 CO 0.38 0.73 0.44 -0.12 0.00 0.00 0.00 173.10 174.53 1n71 s PHE 59 N -1.95 -0.41 -0.07 1.90 5.36 0.10 -0.97 117.98 121.93 1n71 s PHE 59 Ca -0.01 0.88 -0.09 0.00 -0.96 0.00 0.00 56.93 56.74 1n71 s PHE 59 Cb -0.01 0.18 0.02 0.00 -0.34 0.00 0.00 43.02 42.88 1n71 s PHE 59 CO -0.01 -0.35 0.24 -1.50 -1.46 0.00 0.00 175.22 172.14 1n71 s ILE 60 N -0.52 0.02 0.26 3.12 2.07 -0.46 -0.95 121.20 124.75 1n71 s ILE 60 Ca -0.06 -0.14 0.02 0.00 -1.41 0.00 0.00 60.65 59.05 1n71 s ILE 60 Cb -0.03 -0.39 -0.04 0.00 0.13 0.00 0.00 42.46 42.13 1n71 s ILE 60 CO 0.03 -0.08 0.12 -0.83 -1.91 0.00 0.00 174.94 172.28 1n71 s GLY 61 N -0.22 1.80 -0.11 1.50 0.00 -0.41 -0.96 107.32 108.91 1n71 s GLY 61 Ca -0.03 -1.80 -0.11 0.00 0.00 0.00 0.00 44.72 42.77 1n71 s GLY 61 CO 0.01 -1.56 0.31 0.00 0.00 0.00 0.00 173.10 171.86 1n71 s ALA 62 N -3.78 -0.77 -0.15 3.20 0.00 -0.80 -0.96 121.76 118.51 1n71 s ALA 62 Ca 0.37 0.84 -0.00 0.00 0.00 0.00 0.00 51.96 53.17 1n71 s ALA 62 Cb 0.07 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 1n71 s ALA 62 CO 0.15 -0.16 -0.13 0.42 0.00 0.00 0.00 175.76 176.05 1n71 s ILE 63 N 0.06 2.98 -0.38 0.00 1.01 0.11 -2.04 121.20 122.94 1n71 s ILE 63 Ca -0.01 -0.67 -0.29 0.00 0.00 0.00 0.00 60.65 59.68 1n71 s ILE 63 Cb -0.02 -2.27 0.01 0.00 0.01 0.00 0.00 42.46 40.19 1n71 s ILE 63 CO 0.01 0.51 1.36 -2.16 0.00 0.00 0.00 174.94 174.66 1n71 s PRO 64 N 0.62 3.69 -0.19 2.79 0.04 -1.26 -0.32 135.00 140.37 1n71 s PRO 64 Ca -0.07 1.01 0.13 0.00 0.04 0.00 0.00 61.00 62.11 1n71 s PRO 64 Cb -0.15 -3.97 -0.21 0.00 0.04 0.00 0.00 34.50 30.20 1n71 s PRO 64 CO 0.03 -1.42 0.01 1.04 0.04 0.00 0.00 177.00 176.70 1n71 n GLN 65 N 7.83 0.97 -4.00 4.56 1.13 0.82 -4.83 117.38 123.86 1n71 n GLN 65 Ca 0.16 0.02 -0.31 0.00 -1.94 0.00 0.00 57.00 54.93 1n71 n GLN 65 Cb 0.48 -1.46 -0.15 0.00 0.11 0.00 0.00 30.24 29.22 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 -2.44 3.67 0.00 1.08 1.51 -0.04 -4.97 117.35 116.15 1n71 s TYR 66 Ca -0.13 -3.03 0.00 0.00 -1.01 0.00 0.00 57.07 52.90 1n71 s TYR 66 Cb 0.06 -2.92 0.00 0.00 -0.11 0.00 0.00 41.96 38.99 1n71 s TYR 66 CO 0.69 -0.91 0.00 0.41 -1.11 0.00 0.00 175.55 174.63 1n71 n GLY 67 N 4.06 3.16 0.37 0.71 0.00 -1.26 -0.87 105.19 111.35 1n71 n GLY 67 Ca 0.04 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.10 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 -4.65 119.36 107.52 1n71 n ILE 68 Ca 0.00 -0.46 -0.18 0.00 -0.27 0.00 0.00 62.75 61.85 1n71 n ILE 68 Cb 0.00 1.19 -0.14 0.00 -1.74 0.00 0.00 39.64 38.95 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 1.81 0.89 -3.40 7.28 1.35 -1.33 -3.20 112.91 116.30 1n71 h THR 69 Ca 0.00 -2.59 -0.66 0.00 -0.55 0.00 0.00 66.41 62.61 1n71 h THR 69 Cb 0.42 2.61 -0.28 0.00 -1.73 0.00 0.00 68.15 69.17 1n71 h THR 69 CO 0.00 0.79 -0.73 -0.83 -0.25 0.00 0.00 175.52 174.50 1n71 s GLY 70 N -5.22 1.61 0.03 5.82 0.00 -0.05 -1.45 107.32 108.06 1n71 s GLY 70 Ca -0.14 -1.20 0.07 0.00 0.00 0.00 0.00 44.72 43.46 1n71 s GLY 70 CO 0.82 0.44 -0.21 -0.98 0.00 0.00 0.00 173.10 173.17 1n71 s TRP 71 N 1.46 2.49 -0.21 1.90 0.52 -0.25 -0.13 118.94 124.73 1n71 s TRP 71 Ca 0.05 -0.31 -0.09 0.00 0.02 0.00 0.00 56.10 55.78 1n71 s TRP 71 Cb -0.14 -1.47 -0.05 0.00 -1.15 0.00 0.00 33.47 30.66 1n71 s TRP 71 CO -0.04 0.18 0.11 -2.00 0.02 0.00 0.00 176.95 175.23 1n71 s GLU 72 N -1.22 4.04 -0.29 4.98 2.12 0.57 -0.82 118.70 128.07 1n71 s GLU 72 Ca 0.13 -0.30 -0.29 0.00 0.36 0.00 0.00 54.97 54.87 1n71 s GLU 72 Cb -0.10 -3.38 0.01 0.00 0.26 0.00 0.00 34.13 30.91 1n71 s GLU 72 CO 0.03 0.18 1.15 -1.17 -0.54 0.00 0.00 175.26 174.91 1n71 s LEU 73 N 0.68 3.95 -0.30 2.70 0.20 0.71 -0.71 118.68 125.92 1n71 s LEU 73 Ca 0.06 1.17 -0.17 0.00 0.69 0.00 0.00 54.13 55.88 1n71 s LEU 73 Cb -0.13 -3.54 0.18 0.00 -0.43 0.00 0.00 46.19 42.27 1n71 s LEU 73 CO 0.01 -0.91 1.13 -2.28 -0.29 0.00 0.00 176.35 174.02 1n71 s HIS 74 N 3.79 -0.34 0.40 5.38 2.46 -0.13 -4.74 115.29 122.11 1n71 s HIS 74 Ca 0.49 0.63 0.05 0.00 0.47 0.00 0.00 55.06 56.70 1n71 s HIS 74 Cb -0.14 0.20 0.05 0.00 -0.13 0.00 0.00 32.58 32.57 1n71 s HIS 74 CO 0.17 -0.17 0.45 -0.35 -2.47 0.00 0.00 174.74 172.37 1n71 n PRO 75 N 4.08 0.80 -3.71 2.88 -0.04 -1.26 -3.56 135.00 134.19 1n71 n PRO 75 Ca -0.13 -2.30 -0.25 0.00 -0.04 0.00 0.00 63.50 60.78 1n71 n PRO 75 Cb 0.55 0.01 -0.17 0.00 -0.04 0.00 0.00 33.50 33.85 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 0.65 -0.02 1.53 2.96 -1.26 -1.29 118.68 121.26 1n71 s LEU 76 Ca 0.34 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 1n71 s LEU 76 Cb -0.03 -0.40 0.01 0.00 0.50 0.00 0.00 46.19 46.28 1n71 s LEU 76 CO 0.22 -0.27 -0.02 0.54 -1.32 0.00 0.00 176.35 175.50 1n71 s VAL 77 N 2.00 0.24 -0.09 1.68 0.11 -0.13 -5.02 120.40 119.21 1n71 s VAL 77 Ca 0.02 -0.03 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 1n71 s VAL 77 Cb -0.15 -0.28 0.02 0.00 -1.53 0.00 0.00 36.38 34.44 1n71 s VAL 77 CO -0.07 0.12 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.02 1n71 s VAL 78 N 0.54 1.16 -0.18 2.04 1.01 -1.26 -0.72 120.40 123.00 1n71 s VAL 78 Ca -0.06 -0.45 -0.40 0.00 0.00 0.00 0.00 61.98 61.07 1n71 s VAL 78 Cb -0.09 -1.09 -0.17 0.00 0.00 0.00 0.00 36.38 35.03 1n71 s VAL 78 CO -0.01 0.37 1.54 1.21 0.00 0.00 0.00 175.10 178.21 1n71 n GLU 79 N 4.18 0.86 -0.08 2.72 2.13 -0.26 -4.78 120.64 125.41 1n71 n GLU 79 Ca -0.20 0.31 0.26 0.00 0.66 0.00 0.00 57.16 58.20 1n71 n GLU 79 Cb 0.51 -1.94 0.71 0.00 0.27 0.00 0.00 31.44 30.99 1n71 n GLU 79 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1n71 h SER 80 N 5.68 0.00 0.28 4.31 4.64 -1.98 0.24 113.55 126.72 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 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1n71 h SER 80 CO 0.88 0.00 -0.09 -1.54 -0.87 0.00 0.00 176.83 175.21 1n71 n SER 81 N -3.91 0.55 -0.10 4.97 3.41 -1.26 -3.83 113.62 113.46 1n71 n SER 81 Ca 0.15 -0.73 0.05 0.00 -0.26 0.00 0.00 58.87 58.08 1n71 n SER 81 Cb 0.91 -0.05 0.08 0.00 -0.26 0.00 0.00 64.21 64.88 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 -0.82 1.52 -1.84 4.33 5.12 0.85 -5.07 116.66 120.74 1n71 n ARG 82 Ca 0.16 -1.96 -0.29 0.00 -1.93 0.00 0.00 57.85 53.83 1n71 n ARG 82 Cb 0.27 -1.18 0.09 0.00 -1.16 0.00 0.00 32.46 30.49 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 -1.82 1.91 -1.11 5.56 0.52 -1.17 -4.16 118.95 118.68 1n71 s ARG 83 Ca 0.17 0.17 0.00 0.00 -0.52 0.00 0.00 55.73 55.55 1n71 s ARG 83 Cb 0.15 -1.94 0.00 0.00 0.52 0.00 0.00 34.95 33.68 1n71 s ARG 83 CO 0.02 -1.64 0.00 1.63 0.02 0.00 0.00 175.30 175.32 1n71 n LYS 84 N -3.36 -0.81 -2.19 3.54 4.76 -1.26 -4.91 118.16 113.93 1n71 n LYS 84 Ca 0.08 0.78 -0.06 0.00 -2.87 0.00 0.00 58.31 56.24 1n71 n LYS 84 Cb 0.60 -4.80 0.05 0.00 -1.84 0.00 0.00 35.03 29.05 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 0.10 2.49 -0.54 4.39 5.15 -1.26 -4.99 115.26 120.60 1n71 n ASN 85 Ca -0.12 -2.71 -0.07 0.00 -0.60 0.00 0.00 54.58 51.08 1n71 n ASN 85 Cb 0.44 -0.42 -0.03 0.00 -0.53 0.00 0.00 39.78 39.24 1n71 n ASN 85 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1n71 n GLN 86 N -0.52 -1.69 -0.11 1.20 1.13 -1.26 -4.87 117.38 111.27 1n71 n GLN 86 Ca 0.19 0.73 -0.12 0.00 -1.94 0.00 0.00 57.00 55.86 1n71 n GLN 86 Cb 0.89 -5.11 -0.03 0.00 0.11 0.00 0.00 30.24 26.10 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 1.28 -0.73 5.09 2.04 -1.94 -1.64 117.51 121.61 1n71 h ILE 87 Ca -0.14 -1.13 -0.06 0.00 1.00 0.00 0.00 64.86 64.52 1n71 h ILE 87 Cb 1.06 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 38.49 1n71 h ILE 87 CO 0.21 0.36 0.22 1.23 0.00 0.00 0.00 178.15 180.18 1n71 h GLY 88 N 0.37 1.23 0.93 5.37 0.00 -1.94 -1.21 103.07 107.82 1n71 h GLY 88 Ca 0.08 -0.73 -0.00 0.00 0.00 0.00 0.00 47.33 46.67 1n71 h GLY 88 CO 0.03 0.68 0.07 -0.84 0.00 0.00 0.00 176.54 176.49 1n71 h THR 89 N 1.09 1.10 -0.85 4.70 2.02 -1.94 -1.05 112.91 117.98 1n71 h THR 89 Ca 0.24 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1n71 h THR 89 Cb 0.31 1.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 1n71 h THR 89 CO -0.01 0.09 0.48 0.03 0.37 0.00 0.00 175.52 176.49 1n71 h ARG 90 N 0.11 1.18 -0.34 6.66 3.08 -1.13 -0.26 114.38 123.68 1n71 h ARG 90 Ca 0.05 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 1n71 h ARG 90 Cb 0.08 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1n71 h ARG 90 CO -0.01 0.85 0.06 -0.07 -1.07 0.00 0.00 179.97 179.73 1n71 h LEU 91 N 1.19 0.53 -0.46 3.04 3.38 -0.93 -1.06 115.31 121.00 1n71 h LEU 91 Ca 0.30 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1n71 h LEU 91 Cb -0.00 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1n71 h LEU 91 CO -0.05 0.65 0.12 0.58 0.09 0.00 0.00 178.44 179.82 1n71 h VAL 92 N 0.39 1.23 -0.70 1.22 2.07 -0.89 -0.12 116.25 119.45 1n71 h VAL 92 Ca 0.10 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 1n71 h VAL 92 Cb 0.34 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1n71 h VAL 92 CO 0.01 0.29 0.43 0.78 0.02 0.00 0.00 177.57 179.09 1n71 h ASN 93 N 0.61 0.84 -0.56 0.57 2.35 -0.94 -0.24 115.58 118.20 1n71 h ASN 93 Ca 0.14 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 1n71 h ASN 93 Cb 0.31 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1n71 h ASN 93 CO 0.00 0.65 0.18 0.22 -1.65 0.00 0.00 177.43 176.83 1n71 h TYR 94 N 0.96 0.90 -0.94 1.19 5.03 -0.95 -2.39 116.97 120.77 1n71 h TYR 94 Ca 0.25 -0.09 -0.01 0.00 2.58 0.00 0.00 58.73 61.47 1n71 h TYR 94 Cb -0.04 -0.26 -0.05 0.00 1.55 0.00 0.00 36.73 37.93 1n71 h TYR 94 CO -0.01 0.76 0.57 1.25 -1.32 0.00 0.00 178.16 179.40 1n71 h LEU 95 N 0.78 1.12 -0.70 2.82 5.85 -0.49 -1.97 115.31 122.73 1n71 h LEU 95 Ca 0.18 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 1n71 h LEU 95 Cb 0.28 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1n71 h LEU 95 CO -0.01 0.86 0.25 -0.33 -0.34 0.00 0.00 178.44 178.87 1n71 h GLU 96 N 1.29 1.08 -0.56 1.25 5.08 -0.75 -0.94 114.58 121.02 1n71 h GLU 96 Ca 0.34 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1n71 h GLU 96 Cb -0.06 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 1n71 h GLU 96 CO -0.06 0.91 0.22 -0.22 -1.00 0.00 0.00 179.01 178.86 1n71 h LYS 97 N 1.02 0.85 -0.30 2.33 3.64 -1.05 -1.33 116.57 121.73 1n71 h LYS 97 Ca 0.23 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1n71 h LYS 97 Cb 0.26 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1n71 h LYS 97 CO -0.01 0.74 0.17 0.93 -2.27 0.00 0.00 179.45 179.01 1n71 h GLU 98 N 0.77 0.41 -0.40 1.90 4.39 -1.03 -1.63 114.58 119.00 1n71 h GLU 98 Ca 0.19 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 1n71 h GLU 98 Cb 0.21 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1n71 h GLU 98 CO -0.01 0.34 0.22 0.28 -1.16 0.00 0.00 179.01 178.68 1n71 h VAL 99 N 0.37 1.15 -0.99 3.13 2.07 -1.01 -2.66 116.25 118.31 1n71 h VAL 99 Ca 0.11 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 67.27 1n71 h VAL 99 Cb 0.04 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 1n71 h VAL 99 CO -0.02 0.16 0.65 0.00 0.02 0.00 0.00 177.57 178.38 1n71 h ALA 100 N 1.08 1.31 0.00 1.67 0.00 -1.08 -0.06 119.26 122.17 1n71 h ALA 100 Ca 0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1n71 h ALA 100 Cb 0.05 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1n71 h ALA 100 CO -0.02 0.55 -0.04 0.66 0.00 0.00 0.00 179.25 180.41 1n71 h SER 101 N 1.27 0.00 -0.46 0.00 4.64 -0.95 -1.33 113.55 116.71 1n71 h SER 101 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1n71 h SER 101 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1n71 h SER 101 CO -0.12 0.04 0.00 0.54 -0.87 0.00 0.00 176.83 176.42 1n71 n ARG 102 N -3.27 2.26 -0.30 4.77 1.74 -0.58 -4.89 116.66 116.39 1n71 n ARG 102 Ca -0.02 -1.94 0.00 0.00 -0.77 0.00 0.00 57.85 55.12 1n71 n ARG 102 Cb 0.19 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 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 1.38 0.84 3.77 -0.13 0.00 -0.50 -4.95 105.19 105.60 1n71 n GLY 103 Ca 0.19 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.05 2.80 -0.11 -0.02 0.00 -0.14 -4.45 107.32 103.35 1n71 s GLY 104 Ca 0.00 0.90 -0.02 0.00 0.00 0.00 0.00 44.72 45.60 1n71 s GLY 104 CO 0.00 1.37 -0.12 1.39 0.00 0.00 0.00 173.10 175.75 1n71 n ILE 105 N -0.26 0.59 -4.09 0.90 5.41 -0.53 -4.36 119.36 117.03 1n71 n ILE 105 Ca 0.06 -0.19 -0.14 0.00 1.00 0.00 0.00 62.75 63.48 1n71 n ILE 105 Cb 0.48 -1.25 -0.12 0.00 -0.71 0.00 0.00 39.64 38.04 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 -2.20 0.62 -0.07 1.39 -1.32 -0.81 -0.88 115.64 112.36 1n71 s THR 106 Ca -0.15 -1.04 0.04 0.00 -1.21 0.00 0.00 61.69 59.34 1n71 s THR 106 Cb 0.05 -0.66 -0.00 0.00 -1.51 0.00 0.00 72.50 70.38 1n71 s THR 106 CO 0.21 -0.31 -0.21 -0.63 -2.21 0.00 0.00 174.62 171.48 1n71 s ILE 107 N -1.25 1.74 0.25 5.08 1.01 -0.39 -1.09 121.20 126.55 1n71 s ILE 107 Ca -0.08 -0.87 0.03 0.00 0.00 0.00 0.00 60.65 59.74 1n71 s ILE 107 Cb -0.09 -1.50 -0.05 0.00 0.01 0.00 0.00 42.46 40.82 1n71 s ILE 107 CO 0.01 0.49 0.01 -0.72 0.00 0.00 0.00 174.94 174.73 1n71 s TYR 108 N 0.16 1.62 0.18 3.97 1.13 -0.00 -1.16 117.35 123.24 1n71 s TYR 108 Ca -0.10 -0.95 -0.21 0.00 -1.41 0.00 0.00 57.07 54.40 1n71 s TYR 108 Cb -0.15 -0.96 0.05 0.00 -1.10 0.00 0.00 41.96 39.81 1n71 s TYR 108 CO 0.05 -0.06 0.59 -0.48 -2.51 0.00 0.00 175.55 173.14 1n71 s LEU 109 N -3.33 -0.35 -0.13 -3.49 0.05 -0.05 -0.21 118.68 111.17 1n71 s LEU 109 Ca 0.30 -0.18 0.02 0.00 0.05 0.00 0.00 54.13 54.33 1n71 s LEU 109 Cb 0.06 2.49 0.01 0.00 -2.05 0.00 0.00 46.19 46.71 1n71 s LEU 109 CO 0.10 -1.02 -0.19 -0.83 -0.55 0.00 0.00 176.35 173.86 1n71 s GLY 110 N -2.79 1.22 -0.21 -3.48 0.00 -1.26 -0.68 107.32 100.12 1n71 s GLY 110 Ca 0.04 -0.94 0.01 0.00 0.00 0.00 0.00 44.72 43.83 1n71 s GLY 110 CO -0.09 0.11 -0.13 -1.08 0.00 0.00 0.00 173.10 171.91 1n71 s THR 111 N 0.92 1.86 0.49 0.90 -1.32 0.28 -4.88 115.64 113.89 1n71 s THR 111 Ca -0.06 -1.12 -0.18 0.00 -1.21 0.00 0.00 61.69 59.13 1n71 s THR 111 Cb -0.15 -1.87 -0.09 0.00 -1.51 0.00 0.00 72.50 68.88 1n71 s THR 111 CO -0.02 0.23 0.98 -1.81 -2.21 0.00 0.00 174.62 171.78 1n71 s ASP 112 N 1.31 6.69 -0.44 8.08 1.11 -1.26 -1.25 116.67 130.90 1n71 s ASP 112 Ca -0.01 1.60 0.03 0.00 0.18 0.00 0.00 52.55 54.36 1n71 s ASP 112 Cb -0.16 -2.52 0.12 0.00 1.07 0.00 0.00 42.92 41.43 1n71 s ASP 112 CO -0.09 -0.54 0.19 -0.62 1.18 0.00 0.00 175.17 175.30 1n71 s ASP 113 N -2.84 4.28 0.08 0.27 -1.08 -0.59 -4.92 116.67 111.87 1n71 s ASP 113 Ca 0.60 -2.63 0.22 0.00 -0.52 0.00 0.00 52.55 50.21 1n71 s ASP 113 Cb -0.10 -1.47 -0.17 0.00 -1.46 0.00 0.00 42.92 39.72 1n71 s ASP 113 CO 0.27 -0.29 0.74 0.18 0.52 0.00 0.00 175.17 176.59 1n71 n LEU 114 N 3.60 0.43 -2.15 -1.34 4.77 -1.26 -3.81 117.00 117.24 1n71 n LEU 114 Ca 0.05 0.17 -0.20 0.00 -0.03 0.00 0.00 56.01 56.00 1n71 n LEU 114 Cb 0.36 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.46 1n71 n LEU 114 CO 0.28 -0.06 0.15 -0.90 -1.33 0.00 0.00 177.39 175.52 1n71 n ASP 115 N -2.50 4.32 -3.73 -1.43 5.75 -1.26 -4.96 116.55 112.73 1n71 n ASP 115 Ca -0.03 -3.45 -0.23 0.00 -0.01 0.00 0.00 54.79 51.07 1n71 n ASP 115 Cb 0.59 -0.37 0.03 0.00 -1.03 0.00 0.00 41.12 40.35 1n71 n ASP 115 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 1n71 n HIS 116 N -0.69 -2.03 0.22 2.11 -0.00 -1.26 -4.90 115.22 108.67 1n71 n HIS 116 Ca 0.37 0.86 0.12 0.00 -0.00 0.00 0.00 57.72 59.08 1n71 n HIS 116 Cb 0.94 -4.36 0.14 0.00 -0.00 0.00 0.00 29.99 26.71 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 -1.94 0.00 -2.32 1.57 0.00 -1.93 -3.42 103.07 95.03 1n71 h GLY 117 Ca -0.60 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.39 1n71 h GLY 117 CO 0.58 0.00 -0.59 -0.51 0.00 0.00 0.00 176.54 176.02 1n71 s THR 118 N -3.25 0.22 -1.71 4.70 -4.23 -1.26 -0.17 115.64 109.93 1n71 s THR 118 Ca 0.05 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.80 1n71 s THR 118 Cb 0.07 -2.53 0.55 0.00 1.34 0.00 0.00 72.50 71.92 1n71 s THR 118 CO 0.70 0.00 1.79 0.35 -0.54 0.00 0.00 174.62 176.92 1n71 n THR 119 N -0.43 0.13 0.70 3.99 -2.24 -0.98 -3.09 114.28 112.36 1n71 n THR 119 Ca 0.02 0.03 0.13 0.00 -2.27 0.00 0.00 64.05 61.96 1n71 n THR 119 Cb 0.65 -0.65 0.34 0.00 -2.10 0.00 0.00 70.33 68.58 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 -1.14 0.63 -4.97 3.22 4.77 -1.26 -4.82 117.00 113.43 1n71 n LEU 120 Ca 0.15 0.39 -0.21 0.00 -0.03 0.00 0.00 56.01 56.31 1n71 n LEU 120 Cb 0.13 -0.29 0.01 0.00 -2.33 0.00 0.00 43.42 40.94 1n71 n LEU 120 CO 0.16 -0.08 0.22 -0.94 -1.33 0.00 0.00 177.39 175.41 1n71 s SER 121 N -4.06 5.82 -1.36 -1.43 1.04 -1.18 -4.44 113.70 108.09 1n71 s SER 121 Ca 0.10 0.10 -0.08 0.00 0.48 0.00 0.00 55.95 56.55 1n71 s SER 121 Cb 0.14 -1.37 0.02 0.00 0.10 0.00 0.00 66.02 64.91 1n71 s SER 121 CO 0.64 -0.66 1.10 0.00 0.98 0.00 0.00 173.24 175.30 1n71 n GLN 122 N -1.96 -7.16 -3.53 4.02 6.02 -0.66 -4.98 117.38 109.13 1n71 n GLN 122 Ca 0.02 0.78 -0.17 0.00 -0.01 0.00 0.00 57.00 57.61 1n71 n GLN 122 Cb 0.58 -5.77 -0.06 0.00 1.02 0.00 0.00 30.24 26.01 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 -3.34 0.00 -0.66 5.09 -1.32 -1.26 -5.10 115.64 109.05 1n71 s THR 123 Ca 0.48 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.69 1n71 s THR 123 Cb -0.22 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.79 1n71 s THR 123 CO 0.75 0.00 1.36 -0.62 -2.21 0.00 0.00 174.62 173.90 1n71 s ASP 124 N -1.10 6.10 0.00 8.08 -1.08 -1.26 -4.74 116.67 122.67 1n71 s ASP 124 Ca -0.10 -0.10 0.17 0.00 -0.52 0.00 0.00 52.55 52.00 1n71 s ASP 124 Cb -0.00 -2.55 0.98 0.00 -1.46 0.00 0.00 42.92 39.89 1n71 s ASP 124 CO 0.09 -1.81 1.44 0.18 0.52 0.00 0.00 175.17 175.60 1n71 n LEU 125 N 9.64 0.00 0.02 -1.34 4.77 -1.26 -2.07 117.00 126.76 1n71 n LEU 125 Ca 0.08 0.07 0.13 0.00 -0.03 0.00 0.00 56.01 56.25 1n71 n LEU 125 Cb 0.49 -0.07 0.36 0.00 -2.33 0.00 0.00 43.42 41.88 1n71 n LEU 125 CO 0.71 -0.03 0.63 -1.22 -1.33 0.00 0.00 177.39 176.15 1n71 n TYR 126 N -1.07 0.21 -3.71 -1.77 4.01 -1.26 -3.95 117.16 109.63 1n71 n TYR 126 Ca 0.12 0.06 -0.37 0.00 -0.16 0.00 0.00 57.90 57.55 1n71 n TYR 126 Cb 0.08 -0.48 -0.12 0.00 -0.31 0.00 0.00 39.34 38.50 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 -3.04 3.57 -1.35 -0.72 0.41 -0.88 -4.40 118.70 112.28 1n71 s GLU 127 Ca 0.11 -0.55 -0.07 0.00 -0.41 0.00 0.00 54.97 54.05 1n71 s GLU 127 Cb 0.17 -3.43 0.02 0.00 -1.78 0.00 0.00 34.13 29.11 1n71 s GLU 127 CO 0.64 -0.26 1.08 0.72 -0.49 0.00 0.00 175.26 176.95 1n71 n HIS 128 N 4.95 -2.58 -0.13 1.61 8.25 -1.26 -4.89 115.22 121.17 1n71 n HIS 128 Ca -0.15 0.97 -0.08 0.00 -0.26 0.00 0.00 57.72 58.20 1n71 n HIS 128 Cb 0.51 -4.82 -0.06 0.00 1.12 0.00 0.00 29.99 26.73 1n71 n HIS 128 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1n71 h THR 129 N -2.38 0.00 0.00 1.59 2.02 -1.77 -1.50 112.91 110.87 1n71 h THR 129 Ca -0.58 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.55 1n71 h THR 129 Cb 1.36 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 1n71 h THR 129 CO 0.57 0.00 -0.25 -0.26 0.37 0.00 0.00 175.52 175.95 1n71 h PHE 130 N -0.18 0.00 -0.14 3.16 0.04 -1.91 -2.50 116.94 115.41 1n71 h PHE 130 Ca 0.06 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.68 1n71 h PHE 130 Cb 0.34 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 1n71 h PHE 130 CO -0.77 0.25 -0.55 0.22 -0.60 0.00 0.00 178.31 176.86 1n71 h ASP 131 N 0.00 0.49 -0.48 2.17 1.82 -1.89 -1.27 116.42 117.25 1n71 h ASP 131 Ca -0.00 -0.26 -0.13 0.00 -0.39 0.00 0.00 57.03 56.25 1n71 h ASP 131 Cb 0.93 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.79 1n71 h ASP 131 CO 0.03 0.94 -0.19 0.11 -1.61 0.00 0.00 179.24 178.52 1n71 h LYS 132 N 0.33 0.98 -0.37 0.28 1.57 -1.08 -1.46 116.57 116.83 1n71 h LYS 132 Ca 0.00 -0.41 -0.01 0.00 -1.87 0.00 0.00 60.65 58.36 1n71 h LYS 132 Cb 1.07 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 1n71 h LYS 132 CO 0.10 1.09 0.19 0.28 -0.57 0.00 0.00 179.45 180.54 1n71 h VAL 133 N 0.84 1.15 0.00 0.50 2.07 -1.23 -1.62 116.25 117.96 1n71 h VAL 133 Ca 0.11 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 1n71 h VAL 133 Cb 0.77 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1n71 h VAL 133 CO 0.06 0.16 -0.24 0.00 0.02 0.00 0.00 177.57 177.57 1n71 h ALA 134 N 1.05 1.37 -0.40 1.67 0.00 -1.13 -2.72 119.26 119.10 1n71 h ALA 134 Ca 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1n71 h ALA 134 Cb 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1n71 h ALA 134 CO -0.02 0.30 0.00 0.43 0.00 0.00 0.00 179.25 179.96 1n71 n SER 135 N -3.92 2.78 -4.55 0.00 7.64 -0.56 -5.00 113.62 110.02 1n71 n SER 135 Ca -0.02 -1.92 -0.44 0.00 1.01 0.00 0.00 58.87 57.50 1n71 n SER 135 Cb 0.32 -0.26 -0.01 0.00 -1.01 0.00 0.00 64.21 63.26 1n71 n SER 135 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n71 n ILE 136 N 1.03 2.04 -4.38 0.44 3.06 -0.65 -5.01 119.36 115.89 1n71 n ILE 136 Ca 0.18 -0.50 -0.19 0.00 -2.50 0.00 0.00 62.75 59.74 1n71 n ILE 136 Cb 0.47 -0.83 -0.14 0.00 0.54 0.00 0.00 39.64 39.68 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 -1.60 0.85 -0.35 9.51 -1.52 -1.26 -4.99 119.66 120.30 1n71 s GLN 137 Ca 0.61 -0.53 -0.23 0.00 -1.95 0.00 0.00 55.36 53.26 1n71 s GLN 137 Cb -0.67 -0.81 0.01 0.00 -0.22 0.00 0.00 33.01 31.31 1n71 s GLN 137 CO 0.59 0.21 0.79 1.21 -0.25 0.00 0.00 175.29 177.83 1n71 s ASN 138 N -0.65 6.59 -0.09 5.90 3.84 -1.26 -2.32 114.94 126.94 1n71 s ASN 138 Ca 0.02 0.45 0.01 0.00 0.21 0.00 0.00 52.86 53.55 1n71 s ASN 138 Cb -0.06 -2.40 -0.25 0.00 -0.55 0.00 0.00 41.25 37.99 1n71 s ASN 138 CO 0.00 -0.70 0.48 0.18 -2.79 0.00 0.00 177.10 174.28 1n71 n LEU 139 N 6.36 1.96 -2.62 3.21 4.77 0.76 -4.64 117.00 126.80 1n71 n LEU 139 Ca 0.03 0.29 -0.13 0.00 -0.03 0.00 0.00 56.01 56.17 1n71 n LEU 139 Cb 0.48 -0.63 0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1n71 n LEU 139 CO 0.53 0.68 -0.04 0.54 -1.33 0.00 0.00 177.39 177.76 1n71 n ARG 140 N -3.31 1.72 -3.84 3.23 1.74 -0.64 -4.96 116.66 110.60 1n71 n ARG 140 Ca -0.26 -3.56 -0.24 0.00 -0.77 0.00 0.00 57.85 53.02 1n71 n ARG 140 Cb 1.05 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.99 1n71 n ARG 140 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1n71 n GLU 141 N -0.19 -4.07 -2.27 5.56 2.13 -1.26 -4.92 120.64 115.62 1n71 n GLU 141 Ca 0.16 0.51 -0.39 0.00 0.66 0.00 0.00 57.16 58.10 1n71 n GLU 141 Cb 0.78 -4.85 -0.02 0.00 0.27 0.00 0.00 31.44 27.63 1n71 n GLU 141 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1n71 s HIS 142 N -3.81 3.12 -0.70 4.31 2.46 -1.26 -4.92 115.29 114.49 1n71 s HIS 142 Ca 0.02 1.54 0.13 0.00 0.47 0.00 0.00 55.06 57.21 1n71 s HIS 142 Cb -0.01 -3.45 0.60 0.00 -0.13 0.00 0.00 32.58 29.60 1n71 s HIS 142 CO 0.85 -1.35 1.39 -0.35 -2.47 0.00 0.00 174.74 172.81 1n71 n PRO 143 N 0.38 0.07 -0.01 2.88 -0.04 -1.26 -2.94 135.00 134.08 1n71 n PRO 143 Ca 0.03 0.48 0.14 0.00 -0.04 0.00 0.00 63.50 64.10 1n71 n PRO 143 Cb 0.45 -1.69 0.58 0.00 -0.04 0.00 0.00 33.50 32.81 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 0.23 0.00 0.54 -0.00 -1.95 0.12 116.97 115.91 1n71 h TYR 144 Ca 0.00 0.01 -0.07 0.00 -0.00 0.00 0.00 58.73 58.66 1n71 h TYR 144 Cb 0.11 -0.07 -0.01 0.00 -0.00 0.00 0.00 36.73 36.75 1n71 h TYR 144 CO 0.00 0.11 -0.36 1.49 -0.00 0.00 0.00 178.16 179.40 1n71 h GLU 145 N 0.21 0.00 -0.30 0.10 4.81 -1.93 -1.41 114.58 116.07 1n71 h GLU 145 Ca 0.23 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1n71 h GLU 145 Cb 0.62 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 1n71 h GLU 145 CO -0.04 0.36 0.11 0.35 -0.73 0.00 0.00 179.01 179.06 1n71 h PHE 146 N 0.00 0.46 -0.24 0.92 3.57 -0.97 -2.04 116.94 118.64 1n71 h PHE 146 Ca -0.00 -0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.34 1n71 h PHE 146 Cb 0.78 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 1n71 h PHE 146 CO 0.00 0.46 -0.35 1.88 -2.23 0.00 0.00 178.31 178.08 1n71 h TYR 147 N 0.33 0.61 -0.50 0.41 0.05 -1.28 -3.00 116.97 113.59 1n71 h TYR 147 Ca 0.10 -0.16 -0.00 0.00 0.05 0.00 0.00 58.73 58.72 1n71 h TYR 147 Cb 0.20 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.78 1n71 h TYR 147 CO -0.00 0.80 0.30 0.93 -1.05 0.00 0.00 178.16 179.14 1n71 h GLU 148 N 0.44 0.68 0.00 4.88 5.08 -1.08 -0.88 114.58 123.71 1n71 h GLU 148 Ca 0.05 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1n71 h GLU 148 Cb 0.81 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1n71 h GLU 148 CO 0.07 0.50 0.00 0.87 -1.00 0.00 0.00 179.01 179.45 1n71 h LYS 149 N 0.67 0.00 -0.69 2.33 1.57 -1.23 -0.20 116.57 119.02 1n71 h LYS 149 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1n71 h LYS 149 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1n71 h LYS 149 CO -0.03 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.13 1n71 n LEU 150 N -2.53 3.93 0.00 2.94 4.77 -0.44 -4.93 117.00 120.74 1n71 n LEU 150 Ca -0.01 -1.97 0.00 0.00 -0.03 0.00 0.00 56.01 54.00 1n71 n LEU 150 Cb 0.12 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1n71 n LEU 150 CO 0.16 0.89 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 1n71 n GLY 151 N 1.48 0.72 3.84 -0.72 0.00 -0.09 -5.07 105.19 105.36 1n71 n GLY 151 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.38 3.35 -0.01 1.61 1.51 -0.60 -4.73 117.35 116.11 1n71 s TYR 152 Ca 0.00 1.36 0.06 0.00 -1.01 0.00 0.00 57.07 57.48 1n71 s TYR 152 Cb 0.00 -2.65 -0.02 0.00 -0.11 0.00 0.00 41.96 39.19 1n71 s TYR 152 CO 0.00 0.01 -0.19 0.21 -1.11 0.00 0.00 175.55 174.47 1n71 s LYS 153 N -3.09 1.51 -0.09 -0.62 2.20 -0.17 -4.08 119.74 115.40 1n71 s LYS 153 Ca 0.57 -0.72 -0.30 0.00 -0.36 0.00 0.00 55.97 55.16 1n71 s LYS 153 Cb -0.10 -1.49 -0.04 0.00 -1.51 0.00 0.00 37.83 34.69 1n71 s LYS 153 CO 0.16 0.40 1.49 0.42 -0.36 0.00 0.00 175.35 177.47 1n71 s ILE 154 N -0.51 3.84 -0.58 5.43 1.01 -1.26 -1.10 121.20 128.03 1n71 s ILE 154 Ca 0.07 1.04 0.06 0.00 0.00 0.00 0.00 60.65 61.82 1n71 s ILE 154 Cb -0.08 -3.67 0.11 0.00 0.01 0.00 0.00 42.46 38.83 1n71 s ILE 154 CO -0.00 -0.08 0.93 1.33 0.00 0.00 0.00 174.94 177.11 1n71 n VAL 155 N 5.37 0.55 0.00 2.92 0.24 0.29 -4.96 118.33 122.75 1n71 n VAL 155 Ca 0.16 -0.77 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 1n71 n VAL 155 Cb 0.44 0.78 0.00 0.00 -1.47 0.00 0.00 33.84 33.59 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 0.16 0.75 3.15 7.63 0.00 -1.13 -5.00 105.19 110.74 1n71 n GLY 156 Ca 0.05 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 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 0.13 -0.40 1.61 -7.23 -1.26 -0.57 120.40 110.67 1n71 s VAL 157 Ca 0.00 -1.03 0.03 0.00 -1.81 0.00 0.00 61.98 59.17 1n71 s VAL 157 Cb 0.00 -0.95 0.11 0.00 0.56 0.00 0.00 36.38 36.10 1n71 s VAL 157 CO 0.00 -0.57 0.13 -0.22 -0.31 0.00 0.00 175.10 174.13 1n71 s LEU 158 N -2.18 4.73 0.27 1.32 2.96 -0.32 -4.95 118.68 120.52 1n71 s LEU 158 Ca -0.04 -2.36 -0.30 0.00 -0.22 0.00 0.00 54.13 51.20 1n71 s LEU 158 Cb -0.00 -1.66 -0.12 0.00 0.50 0.00 0.00 46.19 44.90 1n71 s LEU 158 CO -0.05 -0.36 1.52 -2.65 -1.32 0.00 0.00 176.35 173.49 1n71 n PRO 159 N 4.00 2.43 -1.97 0.98 -0.02 -1.26 -2.57 135.00 136.59 1n71 n PRO 159 Ca 0.04 0.87 -0.15 0.00 -2.02 0.00 0.00 63.50 62.23 1n71 n PRO 159 Cb 0.40 -2.60 -0.03 0.00 -0.02 0.00 0.00 33.50 31.24 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 2.17 -4.34 -0.22 2.55 3.02 -1.26 -4.87 115.26 112.31 1n71 n ASN 160 Ca 0.10 0.24 0.02 0.00 -0.03 0.00 0.00 54.58 54.90 1n71 n ASN 160 Cb 0.35 -3.79 0.13 0.00 -0.61 0.00 0.00 39.78 35.85 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 0.79 0.86 -0.45 5.41 0.00 -1.46 -2.27 119.26 122.14 1n71 h ALA 161 Ca -0.34 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1n71 h ALA 161 Cb 1.14 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1n71 h ALA 161 CO 0.44 -0.21 0.00 0.09 0.00 0.00 0.00 179.25 179.58 1n71 n ASN 162 N -5.01 4.80 0.00 0.00 3.02 -0.06 -5.03 115.26 112.98 1n71 n ASN 162 Ca 0.10 -2.88 0.00 0.00 -0.03 0.00 0.00 54.58 51.78 1n71 n ASN 162 Cb 0.32 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 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 0.23 2.81 3.64 7.41 0.00 -0.85 -4.86 105.19 113.57 1n71 n GLY 163 Ca 0.24 -2.01 -0.52 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.29 1.86 -2.79 1.61 7.02 -1.26 -1.82 117.44 120.76 1n71 n TRP 164 Ca 0.00 0.48 -0.18 0.00 -1.02 0.00 0.00 57.50 56.79 1n71 n TRP 164 Cb 0.00 -2.43 0.00 0.00 -2.42 0.00 0.00 31.31 26.46 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 3.71 -4.33 -3.53 -0.99 8.00 -1.26 -4.89 116.55 113.26 1n71 n ASP 165 Ca 0.20 -0.06 -0.27 0.00 0.71 0.00 0.00 54.79 55.37 1n71 n ASP 165 Cb 0.21 -3.61 -0.09 0.00 -0.02 0.00 0.00 41.12 37.60 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 -3.27 1.56 -1.68 -1.24 5.02 -0.75 -1.65 118.16 116.14 1n71 n LYS 166 Ca -0.11 -4.09 -0.29 0.00 -2.02 0.00 0.00 58.31 51.80 1n71 n LYS 166 Cb 0.60 -1.98 0.10 0.00 -0.02 0.00 0.00 35.03 33.73 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 -1.47 1.92 -0.03 1.97 0.04 -1.25 -0.89 135.00 135.30 1n71 s PRO 167 Ca 0.33 0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.76 1n71 s PRO 167 Cb 0.07 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 1n71 s PRO 167 CO -0.11 -1.68 0.00 0.34 0.04 0.00 0.00 177.00 175.59 1n71 s ASP 168 N -4.17 5.18 -0.20 6.66 2.15 -1.06 -1.54 116.67 123.69 1n71 s ASP 168 Ca 0.61 0.05 -0.04 0.00 0.43 0.00 0.00 52.55 53.60 1n71 s ASP 168 Cb -0.13 -1.39 -0.02 0.00 -0.30 0.00 0.00 42.92 41.08 1n71 s ASP 168 CO 0.52 0.31 -0.03 -0.63 -0.17 0.00 0.00 175.17 175.18 1n71 s ILE 169 N -1.02 3.67 -0.15 4.11 1.01 -0.38 -1.17 121.20 127.26 1n71 s ILE 169 Ca 0.18 -0.41 -0.16 0.00 0.00 0.00 0.00 60.65 60.26 1n71 s ILE 169 Cb -0.11 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 1n71 s ILE 169 CO 0.08 0.43 0.38 0.26 0.00 0.00 0.00 174.94 176.10 1n71 s TRP 170 N 1.10 3.46 0.10 3.97 0.51 0.26 -0.56 118.94 127.79 1n71 s TRP 170 Ca 0.02 0.71 0.07 0.00 -2.12 0.00 0.00 56.10 54.78 1n71 s TRP 170 Cb -0.15 -2.46 -0.03 0.00 -0.81 0.00 0.00 33.47 30.02 1n71 s TRP 170 CO 0.00 0.16 -0.18 -1.64 -0.51 0.00 0.00 176.95 174.78 1n71 s MET 171 N 0.70 1.06 0.07 4.98 -1.94 0.14 -0.55 119.30 123.77 1n71 s MET 171 Ca 0.21 -1.14 -0.13 0.00 -1.71 0.00 0.00 55.69 52.91 1n71 s MET 171 Cb -0.14 -1.21 0.02 0.00 2.01 0.00 0.00 34.83 35.51 1n71 s MET 171 CO 0.07 0.27 0.31 0.00 -0.01 0.00 0.00 175.02 175.66 1n71 s ALA 172 N -1.36 -0.66 -0.12 3.03 0.00 -0.26 -0.87 121.76 121.52 1n71 s ALA 172 Ca 0.06 -0.13 -0.09 0.00 0.00 0.00 0.00 51.96 51.80 1n71 s ALA 172 Cb -0.09 0.45 0.04 0.00 0.00 0.00 0.00 23.12 23.52 1n71 s ALA 172 CO 0.04 -0.49 0.31 0.21 0.00 0.00 0.00 175.76 175.82 1n71 s LYS 173 N -3.14 0.32 -0.24 0.00 2.20 -0.31 -1.00 119.74 117.57 1n71 s LYS 173 Ca -0.01 0.52 -0.15 0.00 -0.36 0.00 0.00 55.97 55.97 1n71 s LYS 173 Cb 0.01 0.06 -0.04 0.00 -1.51 0.00 0.00 37.83 36.35 1n71 s LYS 173 CO -0.07 -0.10 0.38 0.99 -0.36 0.00 0.00 175.35 176.19 1n71 s THR 174 N 0.69 5.19 -2.42 3.43 2.01 -1.26 -1.26 115.64 122.01 1n71 s THR 174 Ca -0.04 0.62 0.22 0.00 0.31 0.00 0.00 61.69 62.80 1n71 s THR 174 Cb -0.06 -3.71 0.43 0.00 0.01 0.00 0.00 72.50 69.18 1n71 s THR 174 CO -0.04 0.21 1.49 2.30 -0.69 0.00 0.00 174.62 177.88 1n71 n ILE 175 N 4.71 0.28 -4.26 1.82 -5.35 -0.06 -4.95 119.36 111.55 1n71 n ILE 175 Ca -0.09 -0.49 -0.14 0.00 -0.27 0.00 0.00 62.75 61.76 1n71 n ILE 175 Cb 0.51 0.68 -0.10 0.00 -1.74 0.00 0.00 39.64 38.99 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 -1.72 0.78 0.36 7.28 -4.36 -1.26 -4.99 121.20 117.29 1n71 s ILE 176 Ca 0.34 -2.00 -0.28 0.00 -0.26 0.00 0.00 60.65 58.45 1n71 s ILE 176 Cb 0.20 -2.15 -0.11 0.00 1.25 0.00 0.00 42.46 41.65 1n71 s ILE 176 CO 0.29 -0.46 1.46 -2.84 0.24 0.00 0.00 174.94 173.62 1n71 s PRO 177 N -3.89 4.16 0.10 0.37 0.02 -1.26 -4.95 135.00 129.54 1n71 s PRO 177 Ca 0.24 2.50 -0.30 0.00 0.02 0.00 0.00 61.00 63.46 1n71 s PRO 177 Cb 0.06 -2.99 -0.06 0.00 0.02 0.00 0.00 34.50 31.52 1n71 s PRO 177 CO 0.05 -0.47 1.19 0.50 -0.33 0.00 0.00 177.00 177.94 1n71 s ARG 178 N -1.92 4.46 -0.14 5.54 3.52 -1.26 -4.89 118.95 124.26 1n71 s ARG 178 Ca 0.53 1.78 -0.41 0.00 -0.13 0.00 0.00 55.73 57.50 1n71 s ARG 178 Cb -0.45 -3.32 -0.18 0.00 -1.56 0.00 0.00 34.95 29.44 1n71 s ARG 178 CO 0.60 -0.18 1.40 -2.30 -0.81 0.00 0.00 175.30 174.00 1n71 n PRO 179 N 3.47 0.55 -0.85 5.12 -0.02 -1.26 -5.30 135.00 136.70 1n71 n PRO 179 Ca 0.07 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1n71 n PRO 179 Cb 0.46 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 1n71 n PRO 179 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23