#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b71 n LYS 2 N 0.00 0.00 -4.88 2.12 2.85 -1.26 -4.81 118.16 112.17 1b71 n LYS 2 Ca 0.00 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 56.99 1b71 n LYS 2 Cb 0.00 0.00 -0.16 0.00 -0.65 0.00 0.00 35.03 34.22 1b71 n LYS 2 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1b71 s SER 3 N -4.00 2.28 0.19 -5.58 0.15 -1.26 -5.04 113.70 100.45 1b71 s SER 3 Ca 0.00 -0.38 -0.01 0.00 0.70 0.00 0.00 55.95 56.26 1b71 s SER 3 Cb 0.00 -0.69 0.12 0.00 -1.71 0.00 0.00 66.02 63.73 1b71 s SER 3 CO 0.00 0.15 1.49 -0.07 1.20 0.00 0.00 173.24 176.01 1b71 h LEU 4 N 6.32 0.50 -8.51 3.45 4.07 -2.00 -3.45 115.31 115.69 1b71 h LEU 4 Ca -0.31 -0.30 -0.75 0.00 0.08 0.00 0.00 57.88 56.60 1b71 h LEU 4 Cb 1.18 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.76 1b71 h LEU 4 CO 0.48 1.01 1.19 0.29 -1.08 0.00 0.00 178.44 180.32 1b71 n LYS 5 N -3.90 0.54 0.00 1.13 4.76 -1.26 -0.25 118.16 119.18 1b71 n LYS 5 Ca -0.04 0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 1b71 n LYS 5 Cb 0.65 -1.90 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 1b71 n LYS 5 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1b71 n GLY 6 N 6.12 1.09 3.72 0.72 0.00 -1.26 -5.05 105.19 110.53 1b71 n GLY 6 Ca 0.42 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.15 1b71 n GLY 6 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b71 s SER 7 N -2.64 3.31 0.18 1.61 1.04 0.65 -4.96 113.70 112.90 1b71 s SER 7 Ca 0.00 1.36 0.02 0.00 0.48 0.00 0.00 55.95 57.81 1b71 s SER 7 Cb 0.00 -2.04 0.06 0.00 0.10 0.00 0.00 66.02 64.14 1b71 s SER 7 CO 0.00 -2.73 1.43 0.03 0.98 0.00 0.00 173.24 172.95 1b71 h ARG 8 N -1.61 0.24 -0.98 4.02 2.47 -1.97 -3.21 114.38 113.34 1b71 h ARG 8 Ca -0.51 -0.22 0.07 0.00 -1.26 0.00 0.00 59.98 58.06 1b71 h ARG 8 Cb 1.30 0.06 -0.07 0.00 -1.65 0.00 0.00 29.97 29.61 1b71 h ARG 8 CO 0.56 0.91 0.64 1.15 0.56 0.00 0.00 179.97 183.79 1b71 h THR 9 N 0.15 1.08 -0.73 2.04 2.02 -1.89 -1.11 112.91 114.47 1b71 h THR 9 Ca -0.03 -0.39 0.07 0.00 0.77 0.00 0.00 66.41 66.83 1b71 h THR 9 Cb 1.39 -0.16 -0.06 0.00 -1.74 0.00 0.00 68.15 67.57 1b71 h THR 9 CO 0.12 0.21 0.40 -0.08 0.37 0.00 0.00 175.52 176.55 1b71 h GLU 10 N 1.14 0.70 0.00 6.66 4.81 -1.74 0.29 114.58 126.43 1b71 h GLU 10 Ca 0.43 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.53 1b71 h GLU 10 Cb 0.19 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1b71 h GLU 10 CO -0.17 0.46 -0.43 0.87 -0.73 0.00 0.00 179.01 179.02 1b71 h LYS 11 N 0.72 0.00 -0.24 1.92 1.57 -1.45 -2.44 116.57 116.66 1b71 h LYS 11 Ca 0.34 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.99 1b71 h LYS 11 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1b71 h LYS 11 CO -0.21 0.43 -0.36 -0.91 -0.57 0.00 0.00 179.45 177.82 1b71 h ASN 12 N 0.00 0.72 -0.11 0.86 2.35 0.51 0.42 115.58 120.33 1b71 h ASN 12 Ca -0.00 -0.52 0.01 0.00 -0.55 0.00 0.00 56.30 55.23 1b71 h ASN 12 Cb 1.04 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.19 1b71 h ASN 12 CO 0.06 1.10 0.05 0.40 -1.65 0.00 0.00 177.43 177.39 1b71 h ILE 13 N 0.37 1.00 -0.38 2.81 2.04 -0.59 0.20 117.51 122.95 1b71 h ILE 13 Ca 0.02 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 65.79 1b71 h ILE 13 Cb 0.95 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 1b71 h ILE 13 CO 0.08 0.02 0.01 0.25 0.00 0.00 0.00 178.15 178.51 1b71 h LEU 14 N 0.11 0.56 -0.51 1.44 5.85 -1.32 0.22 115.31 121.66 1b71 h LEU 14 Ca 0.04 -0.11 -0.14 0.00 0.84 0.00 0.00 57.88 58.52 1b71 h LEU 14 Cb 0.01 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1b71 h LEU 14 CO -0.03 0.62 -0.29 0.74 -0.34 0.00 0.00 178.44 179.14 1b71 h THR 15 N 0.56 1.27 -0.11 1.05 2.02 -0.32 0.17 112.91 117.56 1b71 h THR 15 Ca 0.12 -1.45 -0.01 0.00 0.77 0.00 0.00 66.41 65.84 1b71 h THR 15 Cb 0.35 1.25 -0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1b71 h THR 15 CO 0.01 0.49 0.04 0.00 0.37 0.00 0.00 175.52 176.44 1b71 h ALA 16 N 0.89 0.14 -0.92 6.16 0.00 -0.21 0.08 119.26 125.41 1b71 h ALA 16 Ca 0.09 -0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.06 1b71 h ALA 16 Cb 0.86 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.51 1b71 h ALA 16 CO 0.08 -0.27 0.52 0.35 0.00 0.00 0.00 179.25 179.92 1b71 h PHE 17 N 0.02 0.91 -0.19 0.00 3.57 -0.31 1.04 116.94 121.98 1b71 h PHE 17 Ca 0.04 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.42 1b71 h PHE 17 Cb 0.17 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 1b71 h PHE 17 CO -0.02 0.24 -0.52 0.00 -2.23 0.00 0.00 178.31 175.78 1b71 h ALA 18 N 1.58 0.74 0.10 2.41 0.00 -0.27 0.19 119.26 124.00 1b71 h ALA 18 Ca 0.50 -0.50 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 1b71 h ALA 18 Cb 0.70 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.42 1b71 h ALA 18 CO -0.35 0.68 -0.97 0.78 0.00 0.00 0.00 179.25 179.39 1b71 h GLY 19 N 1.08 0.55 1.58 0.00 0.00 0.23 -2.45 103.07 104.07 1b71 h GLY 19 Ca 0.01 -1.15 -0.07 0.00 0.00 0.00 0.00 47.33 46.13 1b71 h GLY 19 CO 0.10 1.01 -0.10 0.83 0.00 0.00 0.00 176.54 178.38 1b71 h GLU 20 N 0.01 0.51 -0.89 4.80 5.08 0.11 -0.66 114.58 123.53 1b71 h GLU 20 Ca -0.15 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1b71 h GLU 20 Cb 1.69 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.84 1b71 h GLU 20 CO 0.19 0.61 0.54 0.77 -1.00 0.00 0.00 179.01 180.11 1b71 h SER 21 N 0.47 1.07 0.92 1.42 0.02 -0.65 -1.48 113.55 115.33 1b71 h SER 21 Ca 0.09 -0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 60.90 1b71 h SER 21 Cb 0.46 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1b71 h SER 21 CO 0.02 0.82 -0.37 1.56 -1.14 0.00 0.00 176.83 177.73 1b71 h GLN 22 N 1.23 0.00 -0.18 3.45 4.20 -0.83 -2.92 115.11 120.06 1b71 h GLN 22 Ca 0.32 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.87 1b71 h GLN 22 Cb -0.05 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1b71 h GLN 22 CO -0.06 0.37 -0.56 0.00 -0.67 0.00 0.00 178.83 177.91 1b71 h ALA 23 N 1.63 0.69 -0.18 3.87 0.00 -0.25 -0.90 119.26 124.12 1b71 h ALA 23 Ca -0.00 -0.52 0.02 0.00 0.00 0.00 0.00 54.91 54.41 1b71 h ALA 23 Cb 0.93 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1b71 h ALA 23 CO 0.05 0.69 0.05 -0.09 0.00 0.00 0.00 179.25 179.95 1b71 h ARG 24 N 0.42 0.13 0.14 0.00 2.43 -1.13 0.42 114.38 116.80 1b71 h ARG 24 Ca 0.01 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1b71 h ARG 24 Cb 1.10 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1b71 h ARG 24 CO 0.10 0.09 -0.09 -0.91 -1.51 0.00 0.00 179.97 177.65 1b71 h ASN 25 N 0.14 -0.23 -0.87 -3.80 2.35 -1.33 0.11 115.58 111.95 1b71 h ASN 25 Ca 0.08 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 1b71 h ASN 25 Cb 0.05 0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.45 1b71 h ASN 25 CO -0.09 -0.15 0.50 0.03 -1.65 0.00 0.00 177.43 176.07 1b71 h ARG 26 N -0.23 1.19 -0.60 0.81 3.08 -0.85 0.21 114.38 118.00 1b71 h ARG 26 Ca -0.01 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 1b71 h ARG 26 Cb 0.19 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 1b71 h ARG 26 CO 0.01 0.86 0.10 1.88 -1.07 0.00 0.00 179.97 181.75 1b71 h TYR 27 N 1.20 1.02 -0.60 3.04 0.05 0.10 0.70 116.97 122.48 1b71 h TYR 27 Ca 0.31 -0.13 -0.02 0.00 0.05 0.00 0.00 58.73 58.95 1b71 h TYR 27 Cb -0.01 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 37.42 1b71 h TYR 27 CO 0.00 0.86 0.31 -0.91 -1.05 0.00 0.00 178.16 177.38 1b71 h ASN 28 N 0.91 0.76 -0.52 3.88 -0.26 0.35 0.61 115.58 121.31 1b71 h ASN 28 Ca 0.19 -0.11 -0.07 0.00 -0.56 0.00 0.00 56.30 55.75 1b71 h ASN 28 Cb 0.40 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.44 1b71 h ASN 28 CO 0.01 0.66 0.08 1.88 -1.06 0.00 0.00 177.43 178.99 1b71 h TYR 29 N 0.81 0.98 -0.67 1.19 0.05 0.06 -1.49 116.97 117.90 1b71 h TYR 29 Ca 0.21 -0.12 -0.07 0.00 0.05 0.00 0.00 58.73 58.79 1b71 h TYR 29 Cb 0.08 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 37.52 1b71 h TYR 29 CO -0.01 0.84 0.14 0.74 -1.05 0.00 0.00 178.16 178.83 1b71 h PHE 30 N 0.87 1.16 -0.79 4.88 0.04 0.10 -1.49 116.94 121.70 1b71 h PHE 30 Ca 0.18 -0.15 0.03 0.00 2.80 0.00 0.00 57.97 60.83 1b71 h PHE 30 Cb 0.41 -0.32 -0.05 0.00 2.20 0.00 0.00 35.95 38.19 1b71 h PHE 30 CO 0.03 0.96 0.51 0.78 -0.60 0.00 0.00 178.31 179.98 1b71 h GLY 31 N 1.02 1.15 0.99 -1.45 0.00 0.69 0.79 103.07 106.26 1b71 h GLY 31 Ca 0.21 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 1b71 h GLY 31 CO 0.01 0.34 0.09 -1.33 0.00 0.00 0.00 176.54 175.64 1b71 h GLY 32 N 1.00 0.91 1.45 4.60 0.00 -0.95 -1.29 103.07 108.78 1b71 h GLY 32 Ca 0.32 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 1b71 h GLY 32 CO -0.11 0.55 0.25 -1.61 0.00 0.00 0.00 176.54 175.63 1b71 h GLN 33 N 0.72 0.71 -0.48 4.80 5.75 -1.03 -2.16 115.11 123.43 1b71 h GLN 33 Ca 0.16 -0.08 -0.12 0.00 -0.15 0.00 0.00 58.65 58.46 1b71 h GLN 33 Cb 0.38 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.78 1b71 h GLN 33 CO 0.01 0.55 -0.18 0.00 -2.65 0.00 0.00 178.83 176.56 1b71 h ALA 34 N 1.56 0.78 -0.84 3.38 0.00 -0.08 0.47 119.26 124.53 1b71 h ALA 34 Ca 0.18 -0.37 0.07 0.00 0.00 0.00 0.00 54.91 54.78 1b71 h ALA 34 Cb 0.06 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 1b71 h ALA 34 CO -0.03 0.66 0.52 -0.22 0.00 0.00 0.00 179.25 180.18 1b71 h LYS 35 N 0.82 0.90 -0.18 0.00 1.63 -1.02 -0.61 116.57 118.12 1b71 h LYS 35 Ca 0.12 -0.05 -0.07 0.00 -0.85 0.00 0.00 60.65 59.79 1b71 h LYS 35 Cb 0.73 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 32.15 1b71 h LYS 35 CO 0.06 0.60 -0.22 0.87 -3.45 0.00 0.00 179.45 177.30 1b71 h LYS 36 N 0.93 0.31 0.00 1.90 1.57 -0.85 -2.80 116.57 117.64 1b71 h LYS 36 Ca 0.37 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1b71 h LYS 36 Cb 0.19 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1b71 h LYS 36 CO -0.18 0.52 0.00 -0.25 -0.57 0.00 0.00 179.45 178.97 1b71 n ASP 37 N -4.17 0.46 0.00 0.86 8.00 0.11 -4.88 116.55 116.93 1b71 n ASP 37 Ca -0.01 0.58 0.00 0.00 0.71 0.00 0.00 54.79 56.07 1b71 n ASP 37 Cb 0.35 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 1b71 n ASP 37 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b71 n GLY 38 N 0.65 0.92 2.99 0.44 0.00 -0.78 -5.04 105.19 104.37 1b71 n GLY 38 Ca 0.04 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 1b71 n GLY 38 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b71 s PHE 39 N -2.00 3.45 0.12 1.61 0.08 -0.57 -4.36 117.98 116.32 1b71 s PHE 39 Ca 0.00 -3.11 -0.13 0.00 0.12 0.00 0.00 56.93 53.81 1b71 s PHE 39 Cb 0.00 -2.93 -0.06 0.00 -0.57 0.00 0.00 43.02 39.46 1b71 s PHE 39 CO 0.00 -0.70 1.45 0.28 -0.10 0.00 0.00 175.22 176.15 1b71 h VAL 40 N 4.91 1.28 -0.90 -0.44 2.07 -1.71 0.55 116.25 122.01 1b71 h VAL 40 Ca 0.04 -1.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.05 1b71 h VAL 40 Cb 0.85 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 1b71 h VAL 40 CO 0.73 0.49 0.52 -0.61 0.02 0.00 0.00 177.57 178.72 1b71 h GLN 41 N 0.62 1.25 -0.33 1.57 4.15 -1.85 -1.27 115.11 119.25 1b71 h GLN 41 Ca 0.06 -0.13 -0.12 0.00 0.77 0.00 0.00 58.65 59.23 1b71 h GLN 41 Cb 0.91 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 28.34 1b71 h GLN 41 CO 0.08 0.89 -0.27 0.82 -1.93 0.00 0.00 178.83 178.42 1b71 h ILE 42 N 1.26 1.28 -0.06 2.39 2.04 -1.92 -1.67 117.51 120.82 1b71 h ILE 42 Ca 0.32 -1.37 0.03 0.00 1.00 0.00 0.00 64.86 64.84 1b71 h ILE 42 Cb -0.01 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1b71 h ILE 42 CO -0.06 0.45 -0.13 -1.28 0.00 0.00 0.00 178.15 177.13 1b71 h SER 43 N 0.58 -0.39 0.29 1.72 0.87 -0.40 -1.05 113.55 115.17 1b71 h SER 43 Ca 0.08 0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.66 1b71 h SER 43 Cb 0.76 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.89 1b71 h SER 43 CO 0.06 -0.18 -0.20 0.44 -0.53 0.00 0.00 176.83 176.43 1b71 h ASP 44 N -0.19 0.00 0.44 6.23 3.32 -1.11 0.15 116.42 125.27 1b71 h ASP 44 Ca 0.07 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.90 1b71 h ASP 44 Cb 0.28 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 1b71 h ASP 44 CO -0.17 0.20 -0.92 0.40 -1.72 0.00 0.00 179.24 177.02 1b71 h ILE 45 N 0.00 1.44 0.00 0.35 5.03 -0.50 0.51 117.51 124.34 1b71 h ILE 45 Ca -0.00 -2.53 0.03 0.00 -0.12 0.00 0.00 64.86 62.24 1b71 h ILE 45 Cb 0.39 2.45 -0.04 0.00 -3.03 0.00 0.00 36.82 36.59 1b71 h ILE 45 CO 0.03 0.75 -0.19 -0.26 -0.68 0.00 0.00 178.15 177.79 1b71 h PHE 46 N 0.18 -0.51 -0.94 1.37 0.04 -0.74 0.47 116.94 116.81 1b71 h PHE 46 Ca -0.07 0.02 0.09 0.00 2.80 0.00 0.00 57.97 60.81 1b71 h PHE 46 Cb 1.56 0.23 -0.07 0.00 2.20 0.00 0.00 35.95 39.87 1b71 h PHE 46 CO 0.05 -0.28 0.60 0.00 -0.60 0.00 0.00 178.31 178.08 1b71 h ALA 47 N 0.58 1.56 -0.27 2.45 0.00 -0.80 0.70 119.26 123.48 1b71 h ALA 47 Ca 0.06 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1b71 h ALA 47 Cb 0.39 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1b71 h ALA 47 CO -0.18 0.26 -0.01 1.49 0.00 0.00 0.00 179.25 180.81 1b71 h GLU 48 N 0.98 0.47 -0.88 0.00 4.81 0.91 -1.42 114.58 119.45 1b71 h GLU 48 Ca 0.43 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.52 1b71 h GLU 48 Cb 0.36 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 1b71 h GLU 48 CO -0.19 0.64 0.58 1.15 -0.73 0.00 0.00 179.01 180.46 1b71 h THR 49 N 0.25 1.23 -0.47 0.32 2.02 0.91 0.15 112.91 117.32 1b71 h THR 49 Ca 0.07 -0.41 0.09 0.00 0.77 0.00 0.00 66.41 66.93 1b71 h THR 49 Cb 0.43 -0.07 -0.08 0.00 -1.74 0.00 0.00 68.15 66.70 1b71 h THR 49 CO 0.02 0.22 0.01 0.00 0.37 0.00 0.00 175.52 176.14 1b71 h ALA 50 N 1.32 0.45 -0.39 6.16 0.00 0.62 0.34 119.26 127.76 1b71 h ALA 50 Ca 0.32 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.30 1b71 h ALA 50 Cb -0.14 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1b71 h ALA 50 CO -0.07 -0.38 -0.01 -0.44 0.00 0.00 0.00 179.25 178.35 1b71 h ASP 51 N 0.13 0.59 0.34 0.00 3.32 -0.25 -0.14 116.42 120.41 1b71 h ASP 51 Ca 0.23 -0.13 -0.17 0.00 0.02 0.00 0.00 57.03 56.99 1b71 h ASP 51 Cb 0.34 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1b71 h ASP 51 CO -0.38 0.67 -0.69 1.56 -1.72 0.00 0.00 179.24 178.69 1b71 h GLN 52 N 0.59 0.31 -0.65 3.56 4.20 0.42 -2.31 115.11 121.23 1b71 h GLN 52 Ca 0.12 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 1b71 h GLN 52 Cb 0.39 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 1b71 h GLN 52 CO 0.02 0.88 0.35 0.93 -0.67 0.00 0.00 178.83 180.34 1b71 h GLU 53 N 0.21 0.90 -0.46 1.46 4.39 0.36 -0.68 114.58 120.76 1b71 h GLU 53 Ca -0.02 -0.09 0.03 0.00 0.34 0.00 0.00 59.36 59.61 1b71 h GLU 53 Cb 1.24 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.68 1b71 h GLU 53 CO 0.11 0.66 0.30 -0.09 -1.16 0.00 0.00 179.01 178.83 1b71 h ARG 54 N 0.90 0.50 0.00 2.33 2.43 -0.52 0.92 114.38 120.94 1b71 h ARG 54 Ca 0.23 -0.03 -0.22 0.00 -0.81 0.00 0.00 59.98 59.15 1b71 h ARG 54 Cb 0.02 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 1b71 h ARG 54 CO -0.04 0.33 -1.13 0.93 -1.51 0.00 0.00 179.97 178.55 1b71 h GLU 55 N 0.52 0.00 -0.20 0.20 4.39 -0.88 0.22 114.58 118.83 1b71 h GLU 55 Ca 0.18 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.85 1b71 h GLU 55 Cb 0.09 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1b71 h GLU 55 CO -0.05 0.82 -0.00 0.45 -1.16 0.00 0.00 179.01 179.07 1b71 h HIS 56 N 0.00 0.38 -0.74 4.33 3.86 -0.27 -2.27 115.15 120.45 1b71 h HIS 56 Ca -0.08 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.06 1b71 h HIS 56 Cb 1.79 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 30.12 1b71 h HIS 56 CO 0.00 0.55 0.44 0.00 0.86 0.00 0.00 177.93 179.78 1b71 h ALA 57 N 0.78 1.39 -0.26 2.45 0.00 -0.80 -2.02 119.26 120.80 1b71 h ALA 57 Ca 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1b71 h ALA 57 Cb 0.40 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1b71 h ALA 57 CO 0.01 0.53 0.09 -0.22 0.00 0.00 0.00 179.25 179.65 1b71 h LYS 58 N 1.02 0.40 -0.41 0.00 3.64 -0.73 0.26 116.57 120.74 1b71 h LYS 58 Ca 0.27 -0.08 0.05 0.00 -1.27 0.00 0.00 60.65 59.61 1b71 h LYS 58 Cb -0.04 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 1b71 h LYS 58 CO -0.05 0.46 0.14 -0.09 -2.27 0.00 0.00 179.45 177.65 1b71 h ARG 59 N 0.26 0.30 -0.19 1.90 9.65 -1.12 -1.18 114.38 123.99 1b71 h ARG 59 Ca 0.08 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 1b71 h ARG 59 Cb 0.22 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.73 1b71 h ARG 59 CO -0.00 0.20 0.09 -0.07 2.80 0.00 0.00 179.97 182.98 1b71 h LEU 60 N 0.31 0.26 -1.47 3.80 3.38 -1.02 -2.98 115.31 117.58 1b71 h LEU 60 Ca 0.19 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1b71 h LEU 60 Cb 0.17 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1b71 h LEU 60 CO -0.19 0.32 0.39 0.15 0.09 0.00 0.00 178.44 179.20 1b71 h PHE 61 N 0.18 0.66 0.00 1.13 3.57 -0.18 0.54 116.94 122.84 1b71 h PHE 61 Ca 0.07 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1b71 h PHE 61 Cb 0.13 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.65 1b71 h PHE 61 CO -0.02 0.39 0.00 1.63 -2.23 0.00 0.00 178.31 178.07 1b71 n LYS 62 N -4.47 0.02 0.08 1.11 5.02 -0.47 -2.41 118.16 117.04 1b71 n LYS 62 Ca 0.07 0.31 -0.12 0.00 -2.02 0.00 0.00 58.31 56.55 1b71 n LYS 62 Cb 0.14 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.60 1b71 n LYS 62 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1b71 h PHE 63 N 0.00 0.45 -4.00 2.13 0.04 0.08 -3.46 116.94 112.18 1b71 h PHE 63 Ca 0.00 -0.27 -0.53 0.00 2.80 0.00 0.00 57.97 59.97 1b71 h PHE 63 Cb 0.16 -0.04 0.10 0.00 2.20 0.00 0.00 35.95 38.36 1b71 h PHE 63 CO 0.00 1.11 0.58 -0.51 -0.60 0.00 0.00 178.31 178.89 1b71 s LEU 64 N -7.47 4.02 -0.11 1.54 1.43 -1.01 -4.95 118.68 112.12 1b71 s LEU 64 Ca -0.04 2.61 0.15 0.00 -1.03 0.00 0.00 54.13 55.82 1b71 s LEU 64 Cb 0.09 -4.14 0.25 0.00 0.03 0.00 0.00 46.19 42.43 1b71 s LEU 64 CO 0.86 -1.15 1.13 -1.84 0.23 0.00 0.00 176.35 175.58 1b71 n GLU 65 N -0.49 1.08 -0.59 1.70 0.28 -1.26 -5.09 120.64 116.27 1b71 n GLU 65 Ca 0.07 -2.37 0.00 0.00 -0.16 0.00 0.00 57.16 54.70 1b71 n GLU 65 Cb 0.45 -1.32 0.00 0.00 1.43 0.00 0.00 31.44 32.00 1b71 n GLU 65 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1b71 n GLY 66 N -1.15 6.03 0.00 -1.84 0.00 -1.26 -5.07 105.19 101.89 1b71 n GLY 66 Ca 0.13 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1b71 n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b71 n GLY 67 N 3.06 2.89 3.77 -0.02 0.00 -1.26 -5.09 105.19 108.54 1b71 n GLY 67 Ca 0.00 -1.83 -0.33 0.00 0.00 0.00 0.00 46.02 43.86 1b71 n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1b71 s ASP 68 N -0.38 5.29 -0.29 1.61 1.01 -1.26 -5.05 116.67 117.60 1b71 s ASP 68 Ca 0.00 2.02 -0.14 0.00 0.71 0.00 0.00 52.55 55.13 1b71 s ASP 68 Cb 0.00 -2.55 0.10 0.00 1.01 0.00 0.00 42.92 41.48 1b71 s ASP 68 CO 0.00 -1.51 0.71 -0.22 0.21 0.00 0.00 175.17 174.37 1b71 s LEU 69 N -4.63 -0.96 0.15 1.23 0.20 -1.26 -5.15 118.68 108.27 1b71 s LEU 69 Ca 0.68 1.45 -0.30 0.00 0.69 0.00 0.00 54.13 56.65 1b71 s LEU 69 Cb -0.21 2.28 -0.07 0.00 -0.43 0.00 0.00 46.19 47.76 1b71 s LEU 69 CO 0.38 -0.22 0.96 -0.70 -0.29 0.00 0.00 176.35 176.49 1b71 s GLU 70 N 2.05 4.74 0.04 1.98 2.12 -1.26 -5.07 118.70 123.30 1b71 s GLU 70 Ca -0.08 1.48 0.03 0.00 0.36 0.00 0.00 54.97 56.75 1b71 s GLU 70 Cb -0.07 -3.34 -0.02 0.00 0.26 0.00 0.00 34.13 30.96 1b71 s GLU 70 CO -0.19 0.30 -0.08 0.96 -0.54 0.00 0.00 175.26 175.70 1b71 s ILE 71 N -0.38 0.62 -0.10 -3.70 -4.36 -1.26 -5.02 121.20 107.00 1b71 s ILE 71 Ca 0.45 -0.97 -0.01 0.00 -0.26 0.00 0.00 60.65 59.86 1b71 s ILE 71 Cb -0.25 -0.64 -0.03 0.00 1.25 0.00 0.00 42.46 42.79 1b71 s ILE 71 CO 0.31 -0.26 -0.04 -0.69 0.24 0.00 0.00 174.94 174.49 1b71 s VAL 72 N -1.14 3.89 -0.23 8.37 1.01 -1.26 -5.09 120.40 125.94 1b71 s VAL 72 Ca -0.07 -0.39 -0.33 0.00 0.00 0.00 0.00 61.98 61.19 1b71 s VAL 72 Cb -0.09 -2.63 0.16 0.00 0.00 0.00 0.00 36.38 33.82 1b71 s VAL 72 CO 0.01 0.57 1.27 0.00 0.00 0.00 0.00 175.10 176.94 1b71 s ALA 73 N -0.47 -2.10 0.07 5.51 0.00 -1.26 -5.08 121.76 118.43 1b71 s ALA 73 Ca 0.07 1.75 0.04 0.00 0.00 0.00 0.00 51.96 53.82 1b71 s ALA 73 Cb -0.12 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 1b71 s ALA 73 CO 0.02 -0.44 -0.01 0.00 0.00 0.00 0.00 175.76 175.33 1b71 s ALA 74 N -1.77 3.25 -0.01 0.00 0.00 -1.26 -5.12 121.76 116.85 1b71 s ALA 74 Ca 0.08 -1.08 -0.13 0.00 0.00 0.00 0.00 51.96 50.83 1b71 s ALA 74 Cb -0.01 -1.20 0.02 0.00 0.00 0.00 0.00 23.12 21.93 1b71 s ALA 74 CO -0.05 0.68 0.28 -0.06 0.00 0.00 0.00 175.76 176.61 1b71 s PHE 75 N -1.24 -0.13 0.21 0.00 0.08 -1.26 -5.07 117.98 110.57 1b71 s PHE 75 Ca 0.24 0.17 -0.32 0.00 0.12 0.00 0.00 56.93 57.14 1b71 s PHE 75 Cb -0.12 0.07 -0.12 0.00 -0.57 0.00 0.00 43.02 42.29 1b71 s PHE 75 CO 0.16 -0.38 1.70 -2.14 -0.10 0.00 0.00 175.22 174.46 1b71 s PRO 76 N -1.40 4.14 -1.13 0.24 0.02 -1.26 -4.88 135.00 130.73 1b71 s PRO 76 Ca -0.13 2.58 -0.09 0.00 0.02 0.00 0.00 61.00 63.37 1b71 s PRO 76 Cb -0.05 -3.08 0.27 0.00 0.02 0.00 0.00 34.50 31.65 1b71 s PRO 76 CO 0.03 -0.73 1.19 0.00 -0.33 0.00 0.00 177.00 177.17 1b71 n ALA 77 N 3.93 4.30 0.00 -1.55 0.00 -1.26 -4.87 120.51 121.05 1b71 n ALA 77 Ca 0.15 -4.63 0.00 0.00 0.00 0.00 0.00 53.44 48.96 1b71 n ALA 77 Cb 0.36 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.29 1b71 n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b71 n GLY 78 N 2.70 -2.92 3.11 0.00 0.00 -1.26 -5.06 105.19 101.77 1b71 n GLY 78 Ca 0.26 -2.13 -0.08 0.00 0.00 0.00 0.00 46.02 44.08 1b71 n GLY 78 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1b71 s ILE 79 N -0.63 0.20 -0.40 -0.61 -1.16 -1.26 -5.15 121.20 112.19 1b71 s ILE 79 Ca 0.00 -1.62 -0.15 0.00 -0.51 0.00 0.00 60.65 58.37 1b71 s ILE 79 Cb 0.00 -1.42 0.01 0.00 0.61 0.00 0.00 42.46 41.66 1b71 s ILE 79 CO 0.00 -0.90 0.30 -0.63 -2.81 0.00 0.00 174.94 170.90 1b71 s ILE 80 N -3.79 5.25 0.00 2.00 1.01 -1.26 -4.98 121.20 119.43 1b71 s ILE 80 Ca 0.05 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.16 1b71 s ILE 80 Cb 0.06 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.64 1b71 s ILE 80 CO -0.10 -0.26 0.00 0.00 0.00 0.00 0.00 174.94 174.58 1b71 n ALA 81 N 5.18 0.00 -0.89 9.38 0.00 -1.26 -5.11 120.51 127.81 1b71 n ALA 81 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.01 1b71 n ALA 81 Cb 0.48 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.07 1b71 n ALA 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1b71 s ASP 82 N 0.28 3.30 0.09 0.00 1.01 -1.26 -4.70 116.67 115.39 1b71 s ASP 82 Ca 0.00 2.23 -0.26 0.00 0.71 0.00 0.00 52.55 55.23 1b71 s ASP 82 Cb 0.00 -2.57 -0.13 0.00 1.01 0.00 0.00 42.92 41.23 1b71 s ASP 82 CO 0.00 -2.85 1.69 0.74 0.21 0.00 0.00 175.17 174.96 1b71 h THR 83 N -1.44 0.73 -0.66 -1.27 2.02 -1.95 0.34 112.91 110.68 1b71 h THR 83 Ca -0.44 0.00 0.10 0.00 0.77 0.00 0.00 66.41 66.84 1b71 h THR 83 Cb 1.27 0.73 -0.12 0.00 -1.74 0.00 0.00 68.15 68.30 1b71 h THR 83 CO 0.44 0.00 -0.42 -0.74 0.37 0.00 0.00 175.52 175.17 1b71 h HIS 84 N -0.28 -1.23 -0.89 3.16 6.17 -1.94 0.43 115.15 120.56 1b71 h HIS 84 Ca -0.00 0.09 0.04 0.00 0.71 0.00 0.00 60.37 61.20 1b71 h HIS 84 Cb 0.26 0.63 -0.05 0.00 2.52 0.00 0.00 27.41 30.76 1b71 h HIS 84 CO -0.11 -0.41 0.58 0.00 0.71 0.00 0.00 177.93 178.70 1b71 h ALA 85 N 0.78 1.19 -0.70 5.26 0.00 -1.83 0.66 119.26 124.63 1b71 h ALA 85 Ca 0.21 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1b71 h ALA 85 Cb 0.56 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1b71 h ALA 85 CO -0.74 0.41 0.32 -0.91 0.00 0.00 0.00 179.25 178.33 1b71 h ASN 86 N 1.11 0.91 -0.05 0.00 2.35 0.30 0.55 115.58 120.74 1b71 h ASN 86 Ca 0.36 -0.11 -0.12 0.00 -0.55 0.00 0.00 56.30 55.88 1b71 h ASN 86 Cb 0.03 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 1b71 h ASN 86 CO -0.13 0.78 -0.36 -0.07 -1.65 0.00 0.00 177.43 176.01 1b71 h LEU 87 N 0.99 0.57 -0.02 1.61 3.38 0.69 -0.89 115.31 121.65 1b71 h LEU 87 Ca 0.24 -0.24 -0.24 0.00 0.09 0.00 0.00 57.88 57.74 1b71 h LEU 87 Cb 0.13 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 40.74 1b71 h LEU 87 CO -0.03 0.88 -0.91 0.40 0.09 0.00 0.00 178.44 178.87 1b71 h ILE 88 N 0.46 1.31 -0.68 1.22 1.08 -0.21 -1.42 117.51 119.27 1b71 h ILE 88 Ca 0.05 -2.17 0.04 0.00 -0.39 0.00 0.00 64.86 62.39 1b71 h ILE 88 Cb 0.84 2.39 -0.04 0.00 -3.07 0.00 0.00 36.82 36.94 1b71 h ILE 88 CO 0.07 0.67 0.45 0.00 -0.69 0.00 0.00 178.15 178.64 1b71 h ALA 89 N 0.40 1.66 -0.30 1.87 0.00 -0.86 0.12 119.26 122.15 1b71 h ALA 89 Ca -0.11 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1b71 h ALA 89 Cb 1.58 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1b71 h ALA 89 CO 0.18 0.26 -0.20 0.77 0.00 0.00 0.00 179.25 180.26 1b71 h SER 90 N 0.78 0.69 -0.08 0.00 0.02 -1.03 -2.06 113.55 111.86 1b71 h SER 90 Ca 0.28 -0.43 0.01 0.00 -0.84 0.00 0.00 61.79 60.81 1b71 h SER 90 Cb 0.13 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1b71 h SER 90 CO -0.08 0.97 0.00 0.00 -1.14 0.00 0.00 176.83 176.58 1b71 h ALA 91 N 0.74 0.07 -0.51 3.77 0.00 -0.78 0.19 119.26 122.74 1b71 h ALA 91 Ca 0.06 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.08 1b71 h ALA 91 Cb 0.74 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 1b71 h ALA 91 CO 0.05 -0.47 0.12 0.00 0.00 0.00 0.00 179.25 178.96 1b71 h ALA 92 N 1.07 0.60 -0.22 0.00 0.00 -0.63 0.70 119.26 120.77 1b71 h ALA 92 Ca 0.04 0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 1b71 h ALA 92 Cb 0.04 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1b71 h ALA 92 CO -0.06 -0.29 -0.59 0.78 0.00 0.00 0.00 179.25 179.10 1b71 h GLY 93 N 0.27 0.78 1.26 0.00 0.00 -1.07 0.26 103.07 104.57 1b71 h GLY 93 Ca 0.26 -0.94 -0.02 0.00 0.00 0.00 0.00 47.33 46.63 1b71 h GLY 93 CO -0.32 0.84 0.38 0.83 0.00 0.00 0.00 176.54 178.27 1b71 h GLU 94 N 0.54 0.98 0.05 4.80 4.39 -0.23 -2.16 114.58 122.94 1b71 h GLU 94 Ca 0.00 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 1b71 h GLU 94 Cb 1.17 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 1b71 h GLU 94 CO 0.12 0.72 -0.02 1.25 -1.16 0.00 0.00 179.01 179.92 1b71 h HIS 95 N 0.98 -0.06 -0.73 4.33 2.76 0.24 -1.71 115.15 120.95 1b71 h HIS 95 Ca 0.25 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.49 1b71 h HIS 95 Cb 0.04 0.02 -0.06 0.00 1.55 0.00 0.00 27.41 28.96 1b71 h HIS 95 CO 0.01 0.06 0.40 1.25 -1.30 0.00 0.00 177.93 178.35 1b71 h HIS 96 N -0.17 0.73 -0.20 5.26 -0.00 -1.09 0.81 115.15 120.50 1b71 h HIS 96 Ca -0.01 0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.42 1b71 h HIS 96 Cb 0.15 -0.22 -0.03 0.00 -0.00 0.00 0.00 27.41 27.31 1b71 h HIS 96 CO -0.04 0.32 0.00 0.93 -0.00 0.00 0.00 177.93 179.15 1b71 h GLU 97 N 0.71 0.07 0.00 5.26 5.08 -1.00 0.40 114.58 125.10 1b71 h GLU 97 Ca 0.34 -0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.44 1b71 h GLU 97 Cb 0.27 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 1b71 h GLU 97 CO -0.22 0.04 -1.42 0.10 -1.00 0.00 0.00 179.01 176.52 1b71 h TYR 98 N 0.07 0.00 0.00 4.33 -0.00 -0.97 0.22 116.97 120.62 1b71 h TYR 98 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 58.73 58.65 1b71 h TYR 98 Cb 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 36.82 1b71 h TYR 98 CO -0.17 0.96 -1.15 1.79 -0.00 0.00 0.00 178.16 179.59 1b71 h THR 99 N 0.00 0.81 0.00 -0.90 1.35 -0.84 -3.38 112.91 109.95 1b71 h THR 99 Ca -0.18 -2.35 0.00 0.00 -0.55 0.00 0.00 66.41 63.33 1b71 h THR 99 Cb 1.89 2.31 0.00 0.00 -1.73 0.00 0.00 68.15 70.62 1b71 h THR 99 CO 0.09 0.46 0.00 -0.62 -0.25 0.00 0.00 175.52 175.21 1b71 n GLU 100 N -3.07 0.00 -0.03 4.72 1.02 0.13 -4.71 120.64 118.70 1b71 n GLU 100 Ca -0.06 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 56.99 1b71 n GLU 100 Cb 0.86 -0.05 -0.02 0.00 -0.02 0.00 0.00 31.44 32.21 1b71 n GLU 100 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 1b71 h MET 101 N 0.00 -0.23 -0.08 3.49 4.05 -1.28 -1.82 114.93 119.06 1b71 h MET 101 Ca 0.00 0.02 -0.16 0.00 -0.28 0.00 0.00 59.70 59.28 1b71 h MET 101 Cb 0.00 0.05 0.01 0.00 -0.80 0.00 0.00 31.60 30.86 1b71 h MET 101 CO 0.00 -0.15 -0.56 1.88 0.23 0.00 0.00 176.91 178.30 1b71 h TYR 102 N -0.24 0.72 -0.49 1.39 0.05 -0.81 -1.35 116.97 116.23 1b71 h TYR 102 Ca 0.12 -0.34 0.10 0.00 0.05 0.00 0.00 58.73 58.67 1b71 h TYR 102 Cb 0.43 -0.10 -0.09 0.00 1.01 0.00 0.00 36.73 37.97 1b71 h TYR 102 CO -0.36 1.13 -0.12 -1.35 -1.05 0.00 0.00 178.16 176.41 1b71 h PRO 103 N 0.10 0.00 0.49 4.88 0.11 -1.71 0.36 132.00 136.23 1b71 h PRO 103 Ca -0.05 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 1b71 h PRO 103 Cb 1.22 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1b71 h PRO 103 CO 0.12 0.00 -0.41 0.77 -0.21 0.00 0.00 178.00 178.26 1b71 h SER 104 N 0.00 -1.10 -1.00 -2.05 0.02 -1.29 -1.70 113.55 106.43 1b71 h SER 104 Ca 0.24 0.08 0.36 0.00 -0.84 0.00 0.00 61.79 61.63 1b71 h SER 104 Cb 0.36 0.35 -0.16 0.00 0.14 0.00 0.00 62.40 63.09 1b71 h SER 104 CO -0.51 -0.57 0.54 -0.26 -1.14 0.00 0.00 176.83 174.89 1b71 h PHE 105 N -0.88 0.85 -0.08 3.45 -1.00 -1.12 0.25 116.94 118.42 1b71 h PHE 105 Ca -0.06 0.04 -0.01 0.00 2.81 0.00 0.00 57.97 60.75 1b71 h PHE 105 Cb 0.74 -0.20 -0.00 0.00 3.61 0.00 0.00 35.95 40.09 1b71 h PHE 105 CO -0.17 -0.32 0.02 0.00 -1.61 0.00 0.00 178.31 176.23 1b71 h ALA 106 N 1.92 0.10 -0.15 2.45 0.00 -0.58 -0.75 119.26 122.26 1b71 h ALA 106 Ca 0.78 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.60 1b71 h ALA 106 Cb 1.91 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.61 1b71 h ALA 106 CO -0.69 -0.27 -0.48 -0.09 0.00 0.00 0.00 179.25 177.72 1b71 h ARG 107 N -0.09 -0.51 -0.41 0.00 9.65 0.39 0.11 114.38 123.52 1b71 h ARG 107 Ca 0.02 0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.93 1b71 h ARG 107 Cb 0.25 0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.93 1b71 h ARG 107 CO 0.00 -0.34 0.22 0.82 2.80 0.00 0.00 179.97 183.47 1b71 h ILE 108 N -0.52 1.16 0.03 1.20 2.04 -1.32 0.56 117.51 120.65 1b71 h ILE 108 Ca 0.06 -0.41 0.03 0.00 1.00 0.00 0.00 64.86 65.54 1b71 h ILE 108 Cb 0.65 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 1b71 h ILE 108 CO -0.43 0.16 -0.38 0.00 0.00 0.00 0.00 178.15 177.50 1b71 h ALA 109 N 1.07 -0.61 -0.58 1.87 0.00 -0.76 0.48 119.26 120.74 1b71 h ALA 109 Ca 0.14 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1b71 h ALA 109 Cb 0.07 0.67 -0.10 0.00 0.00 0.00 0.00 17.79 18.42 1b71 h ALA 109 CO -0.02 -0.92 -0.48 0.00 0.00 0.00 0.00 179.25 177.83 1b71 h ARG 110 N -0.56 -0.24 -0.42 0.00 3.08 -0.54 0.50 114.38 116.21 1b71 h ARG 110 Ca 0.05 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1b71 h ARG 110 Cb 0.63 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1b71 h ARG 110 CO -0.28 -0.16 0.00 -1.91 -1.07 0.00 0.00 179.97 176.55 1b71 n GLU 111 N -5.39 0.78 0.00 0.04 2.13 0.20 -0.93 120.64 117.47 1b71 n GLU 111 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1b71 n GLU 111 Cb 0.34 -1.21 0.00 0.00 0.27 0.00 0.00 31.44 30.84 1b71 n GLU 111 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1b71 n GLU 112 N -0.18 -0.24 -0.42 5.31 1.02 0.16 -4.90 120.64 121.40 1b71 n GLU 112 Ca 0.00 -0.26 0.00 0.00 -0.02 0.00 0.00 57.16 56.88 1b71 n GLU 112 Cb 0.10 -0.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 1b71 n GLU 112 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b71 n GLY 113 N -0.02 0.77 2.82 0.62 0.00 -0.11 -4.95 105.19 104.32 1b71 n GLY 113 Ca 0.00 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 1b71 n GLY 113 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1b71 n TYR 114 N -2.42 2.70 0.14 1.61 4.01 0.17 0.19 117.16 123.56 1b71 n TYR 114 Ca 0.00 -3.00 0.01 0.00 -0.16 0.00 0.00 57.90 54.76 1b71 n TYR 114 Cb 0.00 -1.05 0.11 0.00 -0.31 0.00 0.00 39.34 38.09 1b71 n TYR 114 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1b71 h GLU 115 N 4.88 0.00 -0.33 -0.72 3.07 -1.84 -0.92 114.58 118.72 1b71 h GLU 115 Ca 0.24 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.06 1b71 h GLU 115 Cb 0.58 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.48 1b71 h GLU 115 CO 1.18 0.56 0.05 1.49 -1.40 0.00 0.00 179.01 180.90 1b71 h GLU 116 N 0.00 0.54 -0.90 2.33 4.57 -1.95 0.95 114.58 120.12 1b71 h GLU 116 Ca -0.01 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.02 1b71 h GLU 116 Cb 1.28 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.76 1b71 h GLU 116 CO 0.07 0.62 0.50 0.82 -1.18 0.00 0.00 179.01 179.85 1b71 h ILE 117 N 0.37 1.26 -0.35 2.32 2.04 -1.93 -0.88 117.51 120.34 1b71 h ILE 117 Ca 0.10 -0.62 0.06 0.00 1.00 0.00 0.00 64.86 65.40 1b71 h ILE 117 Cb 0.35 0.03 -0.06 0.00 -0.74 0.00 0.00 36.82 36.40 1b71 h ILE 117 CO 0.01 0.29 -0.01 0.00 0.00 0.00 0.00 178.15 178.43 1b71 h ALA 118 N 1.28 0.30 -0.88 1.87 0.00 -0.56 0.17 119.26 121.43 1b71 h ALA 118 Ca 0.32 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.37 1b71 h ALA 118 Cb 0.01 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1b71 h ALA 118 CO -0.05 -0.41 0.57 0.00 0.00 0.00 0.00 179.25 179.36 1b71 h ARG 119 N 0.08 1.09 -0.52 0.00 3.08 0.09 -1.62 114.38 116.58 1b71 h ARG 119 Ca 0.17 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 60.04 1b71 h ARG 119 Cb 0.24 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1b71 h ARG 119 CO -0.30 0.72 -0.11 0.28 -1.07 0.00 0.00 179.97 179.49 1b71 h VAL 120 N 1.12 1.27 -0.66 2.04 2.07 -0.19 0.40 116.25 122.29 1b71 h VAL 120 Ca 0.35 -1.26 -0.05 0.00 0.82 0.00 0.00 66.70 66.55 1b71 h VAL 120 Cb -0.01 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1b71 h VAL 120 CO -0.11 0.44 0.20 -0.26 0.02 0.00 0.00 177.57 177.86 1b71 h PHE 121 N 0.85 1.04 -0.19 1.57 0.04 -0.72 -0.09 116.94 119.44 1b71 h PHE 121 Ca 0.13 -0.10 -0.18 0.00 2.80 0.00 0.00 57.97 60.62 1b71 h PHE 121 Cb 0.68 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 38.52 1b71 h PHE 121 CO 0.05 0.83 -0.63 0.00 -0.60 0.00 0.00 178.31 177.96 1b71 h ALA 122 N 1.24 0.54 -0.10 2.45 0.00 -0.86 -2.71 119.26 119.82 1b71 h ALA 122 Ca 0.21 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1b71 h ALA 122 Cb 0.29 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1b71 h ALA 122 CO -0.01 0.70 0.00 0.77 0.00 0.00 0.00 179.25 180.72 1b71 h SER 123 N 0.49 0.18 -0.94 0.00 0.02 0.20 -2.33 113.55 111.17 1b71 h SER 123 Ca -0.01 -0.30 0.18 0.00 -0.84 0.00 0.00 61.79 60.82 1b71 h SER 123 Cb 1.21 -0.05 -0.08 0.00 0.14 0.00 0.00 62.40 63.62 1b71 h SER 123 CO 0.12 0.43 0.60 0.40 -1.14 0.00 0.00 176.83 177.24 1b71 h ILE 124 N -0.08 0.75 -0.69 3.27 2.04 -1.10 -1.18 117.51 120.52 1b71 h ILE 124 Ca 0.03 -0.22 0.09 0.00 1.00 0.00 0.00 64.86 65.76 1b71 h ILE 124 Cb 0.34 0.05 -0.07 0.00 -0.74 0.00 0.00 36.82 36.40 1b71 h ILE 124 CO 0.00 0.12 0.33 0.00 0.00 0.00 0.00 178.15 178.60 1b71 h ALA 125 N 1.61 0.94 -0.21 1.87 0.00 -1.08 0.13 119.26 122.52 1b71 h ALA 125 Ca 0.50 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.52 1b71 h ALA 125 Cb 0.91 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 1b71 h ALA 125 CO -0.25 -0.08 -0.09 0.28 0.00 0.00 0.00 179.25 179.10 1b71 h VAL 126 N 0.56 0.69 -0.85 0.00 2.07 -0.85 0.15 116.25 118.03 1b71 h VAL 126 Ca 0.34 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.88 1b71 h VAL 126 Cb 0.38 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1b71 h VAL 126 CO -0.28 0.00 0.56 0.00 0.02 0.00 0.00 177.57 177.87 1b71 h ALA 127 N 1.11 1.42 0.00 1.67 0.00 -1.11 -0.00 119.26 122.35 1b71 h ALA 127 Ca 0.11 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1b71 h ALA 127 Cb 0.23 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1b71 h ALA 127 CO -0.25 0.52 -0.42 0.93 0.00 0.00 0.00 179.25 180.03 1b71 h GLU 128 N 1.11 0.00 -0.49 0.00 4.39 0.45 0.13 114.58 120.18 1b71 h GLU 128 Ca 0.32 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.89 1b71 h GLU 128 Cb -0.08 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1b71 h GLU 128 CO -0.08 0.42 -0.20 1.49 -1.16 0.00 0.00 179.01 179.48 1b71 h GLU 129 N 0.00 0.99 -0.48 2.33 4.81 0.12 -0.47 114.58 121.89 1b71 h GLU 129 Ca -0.00 -0.42 -0.08 0.00 -0.13 0.00 0.00 59.36 58.72 1b71 h GLU 129 Cb 0.84 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 1b71 h GLU 129 CO 0.05 1.10 -0.04 0.35 -0.73 0.00 0.00 179.01 179.74 1b71 h PHE 130 N 0.85 0.89 -0.60 0.92 3.57 -0.85 0.67 116.94 122.39 1b71 h PHE 130 Ca 0.11 -0.14 0.03 0.00 3.53 0.00 0.00 57.97 61.50 1b71 h PHE 130 Cb 0.78 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.24 1b71 h PHE 130 CO 0.05 0.84 0.36 0.45 -2.23 0.00 0.00 178.31 177.79 1b71 h HIS 131 N 0.76 0.68 0.13 0.41 3.86 -0.50 0.77 115.15 121.26 1b71 h HIS 131 Ca 0.14 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1b71 h HIS 131 Cb 0.52 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.77 1b71 h HIS 131 CO 0.03 0.38 -0.08 1.49 0.86 0.00 0.00 177.93 180.61 1b71 h GLU 132 N 0.71 -0.20 -0.44 2.45 4.81 -0.41 -0.87 114.58 120.64 1b71 h GLU 132 Ca 0.24 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.58 1b71 h GLU 132 Cb 0.03 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.36 1b71 h GLU 132 CO -0.11 -0.13 -0.26 0.87 -0.73 0.00 0.00 179.01 178.65 1b71 h LYS 133 N -0.21 -0.17 -0.14 1.92 1.79 -0.20 0.49 116.57 120.06 1b71 h LYS 133 Ca -0.01 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.51 1b71 h LYS 133 Cb 0.17 0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.83 1b71 h LYS 133 CO 0.01 -0.11 -0.09 -0.09 -1.08 0.00 0.00 179.45 178.09 1b71 h ARG 134 N -0.18 -0.08 -0.48 3.15 2.43 -0.71 -0.52 114.38 117.99 1b71 h ARG 134 Ca 0.20 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1b71 h ARG 134 Cb 0.49 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 1b71 h ARG 134 CO -0.54 -0.05 0.28 0.74 -1.51 0.00 0.00 179.97 178.89 1b71 h PHE 135 N -0.08 0.63 -0.10 2.20 0.04 -0.09 -1.58 116.94 117.96 1b71 h PHE 135 Ca 0.08 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.75 1b71 h PHE 135 Cb 0.21 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1b71 h PHE 135 CO -0.22 0.43 -0.36 -0.07 -0.60 0.00 0.00 178.31 177.49 1b71 h LEU 136 N 0.67 0.49 -1.01 1.54 3.38 -0.30 0.22 115.31 120.30 1b71 h LEU 136 Ca 0.17 -0.62 0.03 0.00 0.09 0.00 0.00 57.88 57.56 1b71 h LEU 136 Cb -0.01 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.54 1b71 h LEU 136 CO -0.03 1.03 0.66 0.44 0.09 0.00 0.00 178.44 180.63 1b71 h ASP 137 N -0.01 1.12 -0.41 -0.43 3.32 -0.89 0.12 116.42 119.25 1b71 h ASP 137 Ca -0.02 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 1b71 h ASP 137 Cb 0.99 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 1b71 h ASP 137 CO 0.08 0.78 -0.07 -0.26 -1.72 0.00 0.00 179.24 178.05 1b71 h PHE 138 N 1.31 0.86 -0.66 4.55 0.04 -1.20 -0.18 116.94 121.65 1b71 h PHE 138 Ca 0.39 -0.18 0.05 0.00 2.80 0.00 0.00 57.97 61.03 1b71 h PHE 138 Cb -0.05 -0.21 -0.05 0.00 2.20 0.00 0.00 35.95 37.84 1b71 h PHE 138 CO -0.00 0.88 0.39 0.00 -0.60 0.00 0.00 178.31 178.98 1b71 h ALA 139 N 0.86 0.88 0.47 2.45 0.00 -0.46 -1.31 119.26 122.15 1b71 h ALA 139 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1b71 h ALA 139 Cb 0.59 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1b71 h ALA 139 CO 0.04 0.10 -0.22 -0.09 0.00 0.00 0.00 179.25 179.07 1b71 h ARG 140 N 0.74 -0.60 -0.79 0.00 2.43 -0.51 0.27 114.38 115.91 1b71 h ARG 140 Ca 0.28 0.04 0.14 0.00 -0.81 0.00 0.00 59.98 59.64 1b71 h ARG 140 Cb 0.11 0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 29.74 1b71 h ARG 140 CO -0.15 -0.39 0.52 -0.91 -1.51 0.00 0.00 179.97 177.53 1b71 h ASN 141 N -0.64 0.48 -0.17 -3.80 2.35 -0.84 0.62 115.58 113.57 1b71 h ASN 141 Ca -0.06 0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 1b71 h ASN 141 Cb 0.49 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 1b71 h ASN 141 CO 0.11 0.25 -0.03 0.40 -1.65 0.00 0.00 177.43 176.50 1b71 h ILE 142 N 0.51 1.28 -0.02 2.81 2.04 -0.73 0.91 117.51 124.30 1b71 h ILE 142 Ca 0.39 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 65.31 1b71 h ILE 142 Cb 0.79 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 38.41 1b71 h ILE 142 CO -0.14 0.29 -0.22 0.50 0.00 0.00 0.00 178.15 178.58 1b71 h LYS 143 N 0.03 -0.32 -0.07 2.37 3.64 0.11 -2.90 116.57 119.43 1b71 h LYS 143 Ca 0.04 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1b71 h LYS 143 Cb 0.45 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1b71 h LYS 143 CO 0.01 -0.22 0.00 0.39 -2.27 0.00 0.00 179.45 177.37 1b71 n GLU 144 N -5.35 1.17 -3.91 1.90 1.02 0.20 -4.90 120.64 110.77 1b71 n GLU 144 Ca -0.05 -0.26 -0.26 0.00 -0.02 0.00 0.00 57.16 56.57 1b71 n GLU 144 Cb 0.26 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 1b71 n GLU 144 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b71 n GLY 145 N 0.64 -0.31 0.07 0.62 0.00 -0.34 -4.90 105.19 100.97 1b71 n GLY 145 Ca 0.04 0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.30 1b71 n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b71 n ARG 146 N -4.41 1.32 0.03 1.61 1.74 0.17 -4.57 116.66 112.55 1b71 n ARG 146 Ca -0.20 -2.52 -0.13 0.00 -0.77 0.00 0.00 57.85 54.23 1b71 n ARG 146 Cb 0.63 -1.47 -0.09 0.00 -1.02 0.00 0.00 32.46 30.52 1b71 n ARG 146 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1b71 h VAL 147 N 0.09 1.17 -0.16 1.55 2.07 -1.91 -3.32 116.25 115.74 1b71 h VAL 147 Ca 0.00 -0.87 -0.05 0.00 0.82 0.00 0.00 66.70 66.60 1b71 h VAL 147 Cb 0.99 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 32.46 1b71 h VAL 147 CO 0.00 0.21 -0.12 0.49 0.02 0.00 0.00 177.57 178.17 1b71 n PHE 148 N -4.95 0.53 -3.64 1.57 3.72 -1.26 -4.82 117.46 108.61 1b71 n PHE 148 Ca -0.08 -1.23 -0.05 0.00 -0.05 0.00 0.00 57.45 56.04 1b71 n PHE 148 Cb 0.22 -0.30 -0.06 0.00 -0.94 0.00 0.00 39.48 38.40 1b71 n PHE 148 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1b71 s LEU 149 N -3.04 -0.99 0.28 4.37 2.96 -1.25 -1.72 118.68 119.29 1b71 s LEU 149 Ca 0.39 1.49 0.06 0.00 -0.22 0.00 0.00 54.13 55.85 1b71 s LEU 149 Cb 0.35 2.32 -0.06 0.00 0.50 0.00 0.00 46.19 49.30 1b71 s LEU 149 CO 0.02 -0.22 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.65 1b71 s ARG 150 N 2.08 1.54 0.31 1.98 1.81 0.50 -4.37 118.95 122.80 1b71 s ARG 150 Ca -0.08 -1.79 0.22 0.00 -1.72 0.00 0.00 55.73 52.36 1b71 s ARG 150 Cb -0.07 -1.08 0.16 0.00 -0.45 0.00 0.00 34.95 33.50 1b71 s ARG 150 CO -0.19 0.01 1.32 0.93 -0.68 0.00 0.00 175.30 176.68 1b71 h GLU 151 N 2.28 0.00 -6.12 3.54 3.07 -1.98 -3.42 114.58 111.95 1b71 h GLU 151 Ca -0.40 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 57.91 1b71 h GLU 151 Cb 1.23 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 29.06 1b71 h GLU 151 CO 0.67 0.05 -0.58 -0.65 -1.40 0.00 0.00 179.01 177.10 1b71 s GLN 152 N -3.25 2.33 0.21 2.33 -1.52 -1.26 -5.02 119.66 113.48 1b71 s GLN 152 Ca 0.03 -1.52 -0.31 0.00 -1.95 0.00 0.00 55.36 51.61 1b71 s GLN 152 Cb 0.07 -2.15 -0.10 0.00 -0.22 0.00 0.00 33.01 30.61 1b71 s GLN 152 CO 0.73 0.19 1.52 0.00 -0.25 0.00 0.00 175.29 177.48 1b71 s ALA 153 N -2.40 3.71 0.25 6.09 0.00 -1.26 -4.16 121.76 123.99 1b71 s ALA 153 Ca 0.35 1.38 0.02 0.00 0.00 0.00 0.00 51.96 53.72 1b71 s ALA 153 Cb -0.03 -3.60 -0.01 0.00 0.00 0.00 0.00 23.12 19.48 1b71 s ALA 153 CO 0.21 -0.79 0.28 -2.37 0.00 0.00 0.00 175.76 173.09 1b71 n THR 154 N 3.08 0.00 -4.33 0.00 5.66 0.49 -4.80 114.28 114.38 1b71 n THR 154 Ca 0.10 -1.56 -0.34 0.00 -3.05 0.00 0.00 64.05 59.20 1b71 n THR 154 Cb 0.39 0.85 -0.11 0.00 -1.55 0.00 0.00 70.33 69.91 1b71 n THR 154 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1b71 s LYS 155 N -2.80 3.48 -0.13 1.09 1.02 -1.26 -0.25 119.74 120.89 1b71 s LYS 155 Ca 0.25 -0.45 -0.05 0.00 0.02 0.00 0.00 55.97 55.74 1b71 s LYS 155 Cb 0.00 -2.92 -0.04 0.00 -0.52 0.00 0.00 37.83 34.36 1b71 s LYS 155 CO 0.18 0.41 0.05 -1.58 -0.92 0.00 0.00 175.35 173.50 1b71 s TRP 156 N -0.08 3.30 -0.09 3.18 0.52 0.72 0.93 118.94 127.42 1b71 s TRP 156 Ca 0.03 0.22 0.03 0.00 0.02 0.00 0.00 56.10 56.40 1b71 s TRP 156 Cb -0.13 -1.93 -0.02 0.00 -1.15 0.00 0.00 33.47 30.25 1b71 s TRP 156 CO 0.02 0.42 -0.16 0.50 0.02 0.00 0.00 176.95 177.75 1b71 s ARG 157 N -0.48 2.91 -0.15 4.98 3.52 0.49 -0.80 118.95 129.42 1b71 s ARG 157 Ca 0.10 -0.74 -0.29 0.00 -0.13 0.00 0.00 55.73 54.66 1b71 s ARG 157 Cb -0.12 -2.44 -0.04 0.00 -1.56 0.00 0.00 34.95 30.79 1b71 s ARG 157 CO 0.02 0.38 1.63 0.00 -0.81 0.00 0.00 175.30 176.52 1b71 h ARG 159 N 10.22 0.00 -0.02 0.00 3.08 -0.61 0.11 114.38 127.16 1b71 h ARG 159 Ca -0.36 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.44 1b71 h ARG 159 Cb 1.16 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.23 1b71 h ARG 159 CO 0.98 0.26 -0.98 -0.97 -1.07 0.00 0.00 179.97 178.19 1b71 h ASN 160 N 0.00 0.80 0.00 7.04 -1.24 -1.91 -3.41 115.58 116.87 1b71 h ASN 160 Ca -0.00 -0.63 0.00 0.00 0.71 0.00 0.00 56.30 56.38 1b71 h ASN 160 Cb 0.87 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.68 1b71 h ASN 160 CO 0.03 1.43 0.00 0.00 -1.29 0.00 0.00 177.43 177.60 1b71 n GLY 162 N -0.01 0.77 3.74 0.00 0.00 0.38 -5.01 105.19 105.06 1b71 n GLY 162 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1b71 n GLY 162 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1b71 s TYR 163 N -2.86 2.87 0.02 1.61 5.04 -1.26 -4.67 117.35 118.11 1b71 s TYR 163 Ca 0.00 0.76 0.04 0.00 -2.44 0.00 0.00 57.07 55.42 1b71 s TYR 163 Cb 0.00 -4.00 -0.03 0.00 0.35 0.00 0.00 41.96 38.27 1b71 s TYR 163 CO 0.00 -3.46 -0.06 0.08 -1.34 0.00 0.00 175.55 170.77 1b71 s VAL 164 N 0.30 3.67 -0.03 3.14 1.01 -1.26 -1.16 120.40 126.07 1b71 s VAL 164 Ca 0.65 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 1b71 s VAL 164 Cb -0.46 -2.62 0.03 0.00 0.00 0.00 0.00 36.38 33.33 1b71 s VAL 164 CO 0.43 0.35 0.03 -2.28 0.00 0.00 0.00 175.10 173.63 1b71 s HIS 165 N -1.04 0.12 -0.34 5.22 2.46 0.02 -4.98 115.29 116.75 1b71 s HIS 165 Ca 0.18 0.14 -0.19 0.00 0.47 0.00 0.00 55.06 55.66 1b71 s HIS 165 Cb -0.11 -0.38 -0.01 0.00 -0.13 0.00 0.00 32.58 31.95 1b71 s HIS 165 CO 0.09 -0.14 0.55 -1.21 -2.47 0.00 0.00 174.74 171.55 1b71 s GLU 166 N 1.50 3.71 0.00 2.88 2.02 -1.26 -0.20 118.70 127.36 1b71 s GLU 166 Ca -0.03 -0.02 0.00 0.00 0.02 0.00 0.00 54.97 54.94 1b71 s GLU 166 Cb -0.13 -3.78 0.00 0.00 0.10 0.00 0.00 34.13 30.32 1b71 s GLU 166 CO -0.03 -0.62 0.00 0.41 0.02 0.00 0.00 175.26 175.04 1b71 n GLY 167 N 4.69 0.14 0.10 -1.39 0.00 0.65 -4.90 105.19 104.49 1b71 n GLY 167 Ca -0.04 -0.98 -0.07 0.00 0.00 0.00 0.00 46.02 44.94 1b71 n GLY 167 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1b71 h THR 168 N 0.70 1.57 -3.02 2.61 1.35 -1.81 1.43 112.91 115.74 1b71 h THR 168 Ca 0.00 -2.83 -0.55 0.00 -0.55 0.00 0.00 66.41 62.48 1b71 h THR 168 Cb 0.00 2.56 -0.17 0.00 -1.73 0.00 0.00 68.15 68.81 1b71 h THR 168 CO 0.00 0.81 -0.78 -0.83 -0.25 0.00 0.00 175.52 174.48 1b71 s GLY 169 N -4.58 1.54 0.75 5.82 0.00 -1.26 0.19 107.32 109.78 1b71 s GLY 169 Ca -0.01 -1.61 -0.11 0.00 0.00 0.00 0.00 44.72 42.99 1b71 s GLY 169 CO 0.81 -1.67 1.08 0.00 0.00 0.00 0.00 173.10 173.32 1b71 s ALA 170 N -2.21 2.37 0.60 3.20 0.00 -0.70 -4.95 121.76 120.07 1b71 s ALA 170 Ca 0.20 0.13 -0.13 0.00 0.00 0.00 0.00 51.96 52.16 1b71 s ALA 170 Cb -0.05 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 1b71 s ALA 170 CO 0.09 -1.59 1.03 -1.25 0.00 0.00 0.00 175.76 174.03 1b71 s PRO 171 N -4.98 3.51 0.05 0.00 0.04 -1.26 -4.93 135.00 127.44 1b71 s PRO 171 Ca 0.60 0.92 0.19 0.00 0.04 0.00 0.00 61.00 62.75 1b71 s PRO 171 Cb -0.16 -2.07 0.80 0.00 0.04 0.00 0.00 34.50 33.12 1b71 s PRO 171 CO 0.56 -0.64 1.61 -0.85 0.04 0.00 0.00 177.00 177.71 1b71 n GLU 172 N -2.41 0.05 -3.64 4.56 -0.00 -1.26 -3.76 120.64 114.18 1b71 n GLU 172 Ca 0.07 0.23 -0.10 0.00 -0.00 0.00 0.00 57.16 57.36 1b71 n GLU 172 Cb 0.54 -1.58 -0.07 0.00 -0.00 0.00 0.00 31.44 30.33 1b71 n GLU 172 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1b71 s LEU 173 N -3.33 -0.75 -0.08 -1.84 2.96 -1.26 -3.09 118.68 111.30 1b71 s LEU 173 Ca 0.08 1.32 -0.30 0.00 -0.22 0.00 0.00 54.13 55.02 1b71 s LEU 173 Cb 0.11 2.29 -0.04 0.00 0.50 0.00 0.00 46.19 49.05 1b71 s LEU 173 CO 0.35 -0.22 1.37 0.00 -1.32 0.00 0.00 176.35 176.53 1b71 h PRO 175 N 8.29 0.00 0.00 0.00 0.11 -1.97 0.28 132.00 138.71 1b71 h PRO 175 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1b71 h PRO 175 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1b71 h PRO 175 CO 0.94 0.00 -0.30 0.00 -0.21 0.00 0.00 178.00 178.42 1b71 h ALA 176 N 1.75 0.00 -0.02 -0.75 0.00 -1.97 -3.41 119.26 114.86 1b71 h ALA 176 Ca 0.18 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1b71 h ALA 176 Cb 0.79 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1b71 h ALA 176 CO -0.00 0.30 -0.40 0.00 0.00 0.00 0.00 179.25 179.15 1b71 n ALA 178 N -0.01 -0.11 -1.85 0.00 0.00 0.99 -4.95 120.51 114.59 1b71 n ALA 178 Ca 0.10 0.12 -0.32 0.00 0.00 0.00 0.00 53.44 53.34 1b71 n ALA 178 Cb 0.46 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.58 1b71 n ALA 178 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1b71 s HIS 179 N -1.92 3.49 0.83 0.00 3.76 -1.26 -4.60 115.29 115.59 1b71 s HIS 179 Ca 0.00 1.43 -0.12 0.00 -0.15 0.00 0.00 55.06 56.22 1b71 s HIS 179 Cb 0.00 -2.77 0.09 0.00 1.11 0.00 0.00 32.58 31.00 1b71 s HIS 179 CO 0.00 -0.44 1.14 -1.25 -0.85 0.00 0.00 174.74 173.35 1b71 s PRO 180 N -4.31 1.84 0.55 8.40 0.04 -1.26 0.48 135.00 140.74 1b71 s PRO 180 Ca 0.58 0.29 0.34 0.00 0.04 0.00 0.00 61.00 62.25 1b71 s PRO 180 Cb -0.10 -1.92 1.50 0.00 0.04 0.00 0.00 34.50 34.02 1b71 s PRO 180 CO 0.36 -1.72 1.81 -0.22 0.04 0.00 0.00 177.00 177.28 1b71 h LYS 181 N -1.15 0.00 -0.53 4.56 3.64 -1.63 -0.59 116.57 120.86 1b71 h LYS 181 Ca -0.47 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.06 1b71 h LYS 181 Cb 1.31 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.11 1b71 h LYS 181 CO 0.63 0.00 0.42 0.00 -2.27 0.00 0.00 179.45 178.24 1b71 h ALA 182 N 1.41 2.42 -0.00 5.00 0.00 -1.89 0.11 119.26 126.31 1b71 h ALA 182 Ca 0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1b71 h ALA 182 Cb 2.03 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.86 1b71 h ALA 182 CO -0.01 -0.70 -0.05 0.72 0.00 0.00 0.00 179.25 179.22 1b71 n HIS 183 N -4.17 0.00 -3.17 0.00 8.25 -0.23 -2.49 115.22 113.41 1b71 n HIS 183 Ca 0.10 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.20 1b71 n HIS 183 Cb 0.64 -0.19 -0.06 0.00 1.12 0.00 0.00 29.99 31.51 1b71 n HIS 183 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1b71 s PHE 184 N -2.42 3.65 0.12 4.41 0.40 0.40 0.18 117.98 124.72 1b71 s PHE 184 Ca 0.32 1.30 0.00 0.00 -0.60 0.00 0.00 56.93 57.95 1b71 s PHE 184 Cb 0.20 -2.55 -0.04 0.00 0.51 0.00 0.00 43.02 41.14 1b71 s PHE 184 CO 0.45 0.37 0.01 -1.83 0.70 0.00 0.00 175.22 174.92 1b71 s GLU 185 N -1.92 0.91 0.24 0.44 -1.05 0.39 -4.74 118.70 112.98 1b71 s GLU 185 Ca 0.41 -1.41 -0.30 0.00 -0.15 0.00 0.00 54.97 53.51 1b71 s GLU 185 Cb -0.16 0.02 -0.11 0.00 -0.44 0.00 0.00 34.13 33.44 1b71 s GLU 185 CO 0.20 -0.16 1.54 -0.51 0.95 0.00 0.00 175.26 177.28 1b71 s LEU 186 N -3.06 4.37 0.24 1.83 1.43 -1.26 0.18 118.68 122.41 1b71 s LEU 186 Ca 0.19 2.76 -0.30 0.00 -1.03 0.00 0.00 54.13 55.76 1b71 s LEU 186 Cb 0.07 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.58 1b71 s LEU 186 CO -0.01 -0.81 1.31 -0.22 0.23 0.00 0.00 176.35 176.85 1b71 s LEU 187 N -0.01 4.42 0.12 1.79 0.20 0.26 -4.58 118.68 120.88 1b71 s LEU 187 Ca 0.64 2.49 0.06 0.00 0.69 0.00 0.00 54.13 58.01 1b71 s LEU 187 Cb -0.45 -3.62 -0.04 0.00 -0.43 0.00 0.00 46.19 41.65 1b71 s LEU 187 CO 0.42 -0.53 -0.13 -0.83 -0.29 0.00 0.00 176.35 174.98 1b71 s GLY 188 N 0.09 1.05 -0.06 7.98 0.00 -1.26 -4.92 107.32 110.19 1b71 s GLY 188 Ca 0.55 -1.29 -0.00 0.00 0.00 0.00 0.00 44.72 43.98 1b71 s GLY 188 CO 0.42 -1.35 -0.02 -0.42 0.00 0.00 0.00 173.10 171.74 1b71 s ILE 189 N -2.22 0.46 -0.36 0.90 -1.09 -1.26 -5.06 121.20 112.58 1b71 s ILE 189 Ca 0.09 0.01 0.14 0.00 -2.23 0.00 0.00 60.65 58.66 1b71 s ILE 189 Cb -0.04 -0.56 0.39 0.00 -1.58 0.00 0.00 42.46 40.67 1b71 s ILE 189 CO 0.03 0.25 0.83 -0.46 -1.23 0.00 0.00 174.94 174.35 1b71 n ASN 190 N 4.71 1.22 0.00 3.58 6.94 -1.26 -5.33 115.26 125.11 1b71 n ASN 190 Ca -0.14 -2.92 0.00 0.00 -0.02 0.00 0.00 54.58 51.49 1b71 n ASN 190 Cb 0.50 -0.58 0.00 0.00 -2.36 0.00 0.00 39.78 37.34 1b71 n ASN 190 CO 0.00 0.00 0.00 -2.67 -1.03 0.00 0.00 177.26 173.56