#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nks s LYS 2 N 0.00 3.68 0.08 0.03 2.20 -0.43 -4.86 119.74 120.43 1nks s LYS 2 Ca 0.00 0.49 -0.23 0.00 -0.36 0.00 0.00 55.97 55.87 1nks s LYS 2 Cb 0.00 -3.93 -0.06 0.00 -1.51 0.00 0.00 37.83 32.33 1nks s LYS 2 CO 0.00 -1.44 0.68 0.42 -0.36 0.00 0.00 175.35 174.65 1nks s ILE 3 N 4.54 4.66 -0.07 5.43 1.09 -1.26 -2.00 121.20 133.59 1nks s ILE 3 Ca 0.47 1.47 0.01 0.00 -1.10 0.00 0.00 60.65 61.49 1nks s ILE 3 Cb -0.07 -4.03 0.02 0.00 -1.06 0.00 0.00 42.46 37.32 1nks s ILE 3 CO 0.31 0.47 -0.08 -0.83 -0.10 0.00 0.00 174.94 174.71 1nks s GLY 4 N -0.67 0.67 -0.23 6.18 0.00 -0.55 -1.30 107.32 111.41 1nks s GLY 4 Ca 0.34 -0.30 -0.10 0.00 0.00 0.00 0.00 44.72 44.65 1nks s GLY 4 CO 0.22 0.42 0.15 -0.42 0.00 0.00 0.00 173.10 173.47 1nks s ILE 5 N 1.04 5.33 -0.33 0.90 -1.09 0.10 -1.82 121.20 125.32 1nks s ILE 5 Ca -0.08 0.17 -0.07 0.00 -2.23 0.00 0.00 60.65 58.44 1nks s ILE 5 Cb -0.14 -3.48 0.03 0.00 -1.58 0.00 0.00 42.46 37.29 1nks s ILE 5 CO -0.00 0.36 0.11 -0.69 -1.23 0.00 0.00 174.94 173.48 1nks s VAL 6 N 0.99 3.87 0.38 2.92 1.01 0.41 -0.30 120.40 129.68 1nks s VAL 6 Ca 0.07 -1.04 0.08 0.00 0.00 0.00 0.00 61.98 61.10 1nks s VAL 6 Cb -0.13 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1nks s VAL 6 CO 0.04 -0.14 0.17 0.42 0.00 0.00 0.00 175.10 175.60 1nks s THR 7 N 1.43 2.69 0.00 3.92 -4.23 -0.59 -1.12 115.64 117.74 1nks s THR 7 Ca -0.01 -1.67 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 1nks s THR 7 Cb -0.19 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.67 1nks s THR 7 CO 0.03 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 1nks n GLY 8 N -1.21 1.22 3.86 3.99 0.00 -1.21 -1.69 105.19 110.14 1nks n GLY 8 Ca -0.02 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 1nks n GLY 8 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1nks s ILE 9 N -2.00 4.64 0.12 -0.61 -4.36 -1.26 -4.77 121.20 112.96 1nks s ILE 9 Ca 0.00 1.00 -0.33 0.00 -0.26 0.00 0.00 60.65 61.06 1nks s ILE 9 Cb 0.00 -3.79 -0.12 0.00 1.25 0.00 0.00 42.46 39.80 1nks s ILE 9 CO 0.00 -0.88 1.72 -2.65 0.24 0.00 0.00 174.94 173.37 1nks n PRO 10 N -2.08 2.44 0.00 0.37 -0.02 -1.26 -2.28 135.00 132.16 1nks n PRO 10 Ca 0.06 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 1nks n PRO 10 Cb 0.54 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 1nks n PRO 10 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nks n GLY 11 N 3.88 0.81 0.05 -1.23 0.00 -1.26 -4.92 105.19 102.52 1nks n GLY 11 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 1nks n GLY 11 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1nks n VAL 12 N -1.47 0.26 -0.58 1.61 0.24 -0.97 -4.71 118.33 112.71 1nks n VAL 12 Ca 0.00 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 1nks n VAL 12 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1nks n VAL 12 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nks n GLY 13 N 1.37 1.15 0.19 7.63 0.00 -1.26 -4.90 105.19 109.38 1nks n GLY 13 Ca 0.03 -0.18 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 1nks n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1nks h LYS 14 N 0.00 0.39 0.08 1.61 3.64 -1.91 -0.82 116.57 119.56 1nks h LYS 14 Ca 0.00 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1nks h LYS 14 Cb 0.25 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1nks h LYS 14 CO 0.00 0.26 -0.04 0.66 -2.27 0.00 0.00 179.45 178.06 1nks h SER 15 N 0.41 -0.09 -0.37 4.20 4.64 -1.97 0.31 113.55 120.67 1nks h SER 15 Ca 0.22 -0.35 0.05 0.00 -0.47 0.00 0.00 61.79 61.24 1nks h SER 15 Cb 0.17 0.02 -0.08 0.00 -0.31 0.00 0.00 62.40 62.21 1nks h SER 15 CO -0.19 0.31 -0.53 0.74 -0.87 0.00 0.00 176.83 176.30 1nks h THR 16 N -0.52 0.03 -0.95 2.95 2.02 -1.94 0.34 112.91 114.84 1nks h THR 16 Ca -0.01 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.22 1nks h THR 16 Cb 0.44 0.03 -0.06 0.00 -1.74 0.00 0.00 68.15 66.81 1nks h THR 16 CO 0.02 0.00 0.61 0.58 0.37 0.00 0.00 175.52 177.10 1nks h VAL 17 N -0.41 1.10 -0.09 3.16 2.07 -1.13 -2.31 116.25 118.65 1nks h VAL 17 Ca 0.08 -0.39 -0.10 0.00 0.82 0.00 0.00 66.70 67.11 1nks h VAL 17 Cb 0.61 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1nks h VAL 17 CO -0.57 0.21 -0.40 -0.07 0.02 0.00 0.00 177.57 176.76 1nks h LEU 18 N 1.14 0.20 -0.23 2.57 3.38 0.14 -2.39 115.31 120.12 1nks h LEU 18 Ca 0.40 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 1nks h LEU 18 Cb 0.11 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1nks h LEU 18 CO -0.15 0.59 0.08 0.00 0.09 0.00 0.00 178.44 179.05 1nks h ALA 19 N 1.42 0.30 -0.02 1.53 0.00 0.11 -2.54 119.26 120.06 1nks h ALA 19 Ca 0.02 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1nks h ALA 19 Cb 0.78 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1nks h ALA 19 CO 0.06 -0.10 0.02 -0.22 0.00 0.00 0.00 179.25 179.01 1nks h LYS 20 N 0.21 0.00 -0.16 0.00 1.63 -1.26 0.08 116.57 117.08 1nks h LYS 20 Ca 0.08 0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.70 1nks h LYS 20 Cb 0.20 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.83 1nks h LYS 20 CO -0.00 0.00 -0.63 0.28 -3.45 0.00 0.00 179.45 175.64 1nks h VAL 21 N 0.00 1.33 -0.18 2.00 2.07 -1.03 -1.67 116.25 118.77 1nks h VAL 21 Ca 0.01 -1.92 -0.06 0.00 0.82 0.00 0.00 66.70 65.55 1nks h VAL 21 Cb 0.04 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1nks h VAL 21 CO -0.00 0.59 -0.13 0.50 0.02 0.00 0.00 177.57 178.56 1nks h LYS 22 N 0.42 0.40 0.14 1.57 3.64 -0.97 -1.50 116.57 120.27 1nks h LYS 22 Ca -0.01 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1nks h LYS 22 Cb 1.20 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.99 1nks h LYS 22 CO 0.12 0.74 -0.36 1.49 -2.27 0.00 0.00 179.45 179.16 1nks h GLU 23 N 0.07 -0.54 -0.38 1.90 4.81 -0.96 0.37 114.58 119.85 1nks h GLU 23 Ca 0.04 0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.41 1nks h GLU 23 Cb 0.64 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 1nks h GLU 23 CO 0.03 -0.36 0.29 0.82 -0.73 0.00 0.00 179.01 179.06 1nks h ILE 24 N -0.56 0.74 0.00 2.32 2.04 -1.36 0.16 117.51 120.84 1nks h ILE 24 Ca -0.01 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.65 1nks h ILE 24 Cb 0.54 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 1nks h ILE 24 CO -0.16 0.00 -1.47 0.18 0.00 0.00 0.00 178.15 176.70 1nks n LEU 25 N -4.31 0.87 -0.04 1.44 4.77 -0.57 -3.29 117.00 115.88 1nks n LEU 25 Ca 0.06 0.39 -0.13 0.00 -0.03 0.00 0.00 56.01 56.30 1nks n LEU 25 Cb 0.47 0.09 -0.08 0.00 -2.33 0.00 0.00 43.42 41.57 1nks n LEU 25 CO 0.35 0.20 0.59 0.44 -1.33 0.00 0.00 177.39 177.63 1nks h ASP 26 N 0.00 0.30 0.20 -1.43 3.32 0.45 0.60 116.42 119.86 1nks h ASP 26 Ca -0.19 -0.51 0.00 0.00 0.02 0.00 0.00 57.03 56.35 1nks h ASP 26 Cb 1.68 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 41.14 1nks h ASP 26 CO 0.05 0.75 0.00 0.78 -1.72 0.00 0.00 179.24 179.10 1nks h ASN 27 N -0.14 0.00 -0.27 6.45 2.35 -0.83 0.13 115.58 123.28 1nks h ASN 27 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1nks h ASN 27 Cb 0.68 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.05 1nks h ASN 27 CO 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.81 1nks n GLN 28 N -2.54 2.83 -2.77 0.81 6.02 -1.19 -5.00 117.38 115.53 1nks n GLN 28 Ca -0.01 -2.40 -0.20 0.00 -0.01 0.00 0.00 57.00 54.37 1nks n GLN 28 Cb 0.10 -1.53 0.01 0.00 1.02 0.00 0.00 30.24 29.84 1nks n GLN 28 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nks n GLY 29 N -0.11 -0.51 3.75 1.08 0.00 0.46 -5.01 105.19 104.84 1nks n GLY 29 Ca 0.15 0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 1nks n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nks s ILE 30 N -3.02 5.11 0.00 -0.61 -1.09 0.21 -4.99 121.20 116.81 1nks s ILE 30 Ca 0.17 1.00 -0.30 0.00 -2.23 0.00 0.00 60.65 59.29 1nks s ILE 30 Cb -0.08 -3.83 -0.07 0.00 -1.58 0.00 0.00 42.46 36.90 1nks s ILE 30 CO 0.21 0.38 1.75 0.21 -1.23 0.00 0.00 174.94 176.26 1nks s ASN 31 N 0.21 6.58 -0.08 3.58 2.47 -1.26 -4.49 114.94 121.95 1nks s ASN 31 Ca 0.27 2.43 -0.06 0.00 0.42 0.00 0.00 52.86 55.92 1nks s ASN 31 Cb -0.16 -2.54 0.03 0.00 -1.45 0.00 0.00 41.25 37.13 1nks s ASN 31 CO 0.12 -0.96 0.20 0.54 -3.72 0.00 0.00 177.10 173.29 1nks s ASN 32 N 3.45 -0.21 0.06 -4.21 2.20 -1.26 -1.94 114.94 113.03 1nks s ASN 32 Ca 0.78 0.41 0.08 0.00 -0.94 0.00 0.00 52.86 53.19 1nks s ASN 32 Cb -0.38 0.38 -0.03 0.00 -2.00 0.00 0.00 41.25 39.21 1nks s ASN 32 CO 0.34 -0.10 -0.19 -0.75 -2.94 0.00 0.00 177.10 173.46 1nks s LYS 33 N 0.52 1.98 -0.24 3.55 2.20 -0.75 -5.02 119.74 121.98 1nks s LYS 33 Ca -0.03 -1.04 0.00 0.00 -0.36 0.00 0.00 55.97 54.54 1nks s LYS 33 Cb -0.05 -2.16 0.07 0.00 -1.51 0.00 0.00 37.83 34.18 1nks s LYS 33 CO -0.03 0.52 -0.01 0.42 -0.36 0.00 0.00 175.35 175.89 1nks s ILE 34 N -0.97 1.35 -0.15 5.43 1.01 -1.26 -1.75 121.20 124.86 1nks s ILE 34 Ca 0.15 -1.21 -0.06 0.00 0.00 0.00 0.00 60.65 59.52 1nks s ILE 34 Cb -0.10 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 1nks s ILE 34 CO 0.06 -0.22 0.07 -0.63 0.00 0.00 0.00 174.94 174.22 1nks s ILE 35 N 1.46 4.86 -0.20 2.92 1.01 -0.61 -4.99 121.20 125.64 1nks s ILE 35 Ca -0.02 -0.02 -0.12 0.00 0.00 0.00 0.00 60.65 60.49 1nks s ILE 35 Cb -0.18 -3.14 -0.05 0.00 0.01 0.00 0.00 42.46 39.09 1nks s ILE 35 CO -0.09 0.52 0.22 0.21 0.00 0.00 0.00 174.94 175.80 1nks s ASN 36 N -0.18 6.27 0.06 3.58 3.84 -1.26 -0.06 114.94 127.19 1nks s ASN 36 Ca 0.08 0.30 -0.23 0.00 0.21 0.00 0.00 52.86 53.22 1nks s ASN 36 Cb -0.12 -2.14 -0.15 0.00 -0.55 0.00 0.00 41.25 38.30 1nks s ASN 36 CO 0.01 0.09 1.57 0.22 -2.79 0.00 0.00 177.10 176.20 1nks h TYR 37 N 7.03 0.10 -0.98 0.43 5.03 -1.17 -2.97 116.97 124.42 1nks h TYR 37 Ca -0.39 -0.01 0.10 0.00 2.58 0.00 0.00 58.73 61.01 1nks h TYR 37 Cb 1.16 -0.03 -0.08 0.00 1.55 0.00 0.00 36.73 39.33 1nks h TYR 37 CO 0.63 0.25 0.62 0.78 -1.32 0.00 0.00 178.16 179.12 1nks h GLY 38 N -0.09 1.57 0.62 1.82 0.00 -1.94 -1.26 103.07 103.80 1nks h GLY 38 Ca 0.02 -0.43 0.07 0.00 0.00 0.00 0.00 47.33 46.99 1nks h GLY 38 CO -0.00 0.21 0.43 -0.55 0.00 0.00 0.00 176.54 176.63 1nks h ASP 39 N 1.03 0.63 0.29 0.19 3.32 -1.90 0.25 116.42 120.23 1nks h ASP 39 Ca 0.47 0.04 -0.11 0.00 0.02 0.00 0.00 57.03 57.44 1nks h ASP 39 Cb 0.38 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1nks h ASP 39 CO -0.24 0.39 -0.46 -0.26 -1.72 0.00 0.00 179.24 176.96 1nks h PHE 40 N 0.76 0.26 0.18 4.55 -1.00 -1.26 -2.14 116.94 118.30 1nks h PHE 40 Ca 0.35 -0.08 -0.01 0.00 2.81 0.00 0.00 57.97 61.04 1nks h PHE 40 Cb 0.25 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.76 1nks h PHE 40 CO -0.07 0.64 -0.09 0.52 -1.61 0.00 0.00 178.31 177.70 1nks h MET 41 N 0.18 -0.24 -0.61 1.51 2.86 -0.34 -2.82 114.93 115.48 1nks h MET 41 Ca 0.01 0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.77 1nks h MET 41 Cb 0.88 0.05 -0.08 0.00 0.06 0.00 0.00 31.60 32.51 1nks h MET 41 CO 0.07 0.02 0.19 1.25 1.06 0.00 0.00 176.91 179.50 1nks h LEU 42 N -0.48 0.13 0.14 1.22 5.85 -0.49 -0.03 115.31 121.64 1nks h LEU 42 Ca -0.02 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1nks h LEU 42 Cb 0.37 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 1nks h LEU 42 CO 0.04 0.08 -0.50 0.00 -0.34 0.00 0.00 178.44 177.71 1nks h ALA 43 N 1.45 -0.99 -0.88 1.25 0.00 -1.33 -0.37 119.26 118.39 1nks h ALA 43 Ca 0.31 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.20 1nks h ALA 43 Cb 0.43 0.87 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 1nks h ALA 43 CO -0.35 -1.11 0.53 1.15 0.00 0.00 0.00 179.25 179.47 1nks h THR 44 N -0.73 0.97 -0.09 0.00 2.02 -1.20 -2.52 112.91 111.37 1nks h THR 44 Ca -0.01 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1nks h THR 44 Cb 0.73 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1nks h THR 44 CO -0.26 0.17 0.05 0.00 0.37 0.00 0.00 175.52 175.85 1nks h ALA 45 N 1.45 0.11 -0.02 6.16 0.00 -0.16 -2.89 119.26 123.91 1nks h ALA 45 Ca 0.41 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.33 1nks h ALA 45 Cb 0.30 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1nks h ALA 45 CO -0.22 -0.38 -0.20 -0.07 0.00 0.00 0.00 179.25 178.37 1nks h LEU 46 N 0.09 -0.60 -1.36 0.00 4.07 -0.85 -1.42 115.31 115.24 1nks h LEU 46 Ca 0.03 0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.08 1nks h LEU 46 Cb 0.02 0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.01 1nks h LEU 46 CO -0.01 -0.27 0.00 0.11 -1.08 0.00 0.00 178.44 177.20 1nks h LYS 47 N -0.32 0.00 0.00 1.13 1.57 -1.41 -3.02 116.57 114.52 1nks h LYS 47 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1nks h LYS 47 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1nks h LYS 47 CO -0.20 0.00 -0.93 1.28 -0.57 0.00 0.00 179.45 179.03 1nks n LEU 48 N -2.35 0.39 0.00 2.94 4.77 -0.85 -5.01 117.00 116.89 1nks n LEU 48 Ca -0.01 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 1nks n LEU 48 Cb 0.10 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1nks n LEU 48 CO 0.14 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1nks n GLY 49 N 1.45 0.80 0.19 -0.72 0.00 -0.60 -4.98 105.19 101.33 1nks n GLY 49 Ca 0.01 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 1nks n GLY 49 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1nks h TYR 50 N 0.00 0.90 -3.09 1.61 -1.99 -1.71 -3.48 116.97 109.22 1nks h TYR 50 Ca 0.00 -0.45 -0.05 0.00 2.00 0.00 0.00 58.73 60.23 1nks h TYR 50 Cb 0.00 -0.12 -0.14 0.00 2.00 0.00 0.00 36.73 38.47 1nks h TYR 50 CO 0.00 1.27 0.01 0.00 -0.00 0.00 0.00 178.16 179.45 1nks s ALA 51 N -3.46 -1.19 -0.16 3.88 0.00 -1.24 -5.00 121.76 114.58 1nks s ALA 51 Ca -0.11 0.29 0.13 0.00 0.00 0.00 0.00 51.96 52.27 1nks s ALA 51 Cb 0.06 0.60 -0.19 0.00 0.00 0.00 0.00 23.12 23.59 1nks s ALA 51 CO 0.88 -0.61 0.04 1.63 0.00 0.00 0.00 175.76 177.70 1nks n LYS 52 N 0.01 1.33 -4.22 0.00 4.76 -1.26 -3.74 118.16 115.04 1nks n LYS 52 Ca -0.17 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.12 1nks n LYS 52 Cb 0.63 -1.41 -0.10 0.00 -1.84 0.00 0.00 35.03 32.30 1nks n LYS 52 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 1nks s ASP 53 N -5.03 1.67 0.33 4.39 -4.77 -1.26 -5.02 116.67 106.99 1nks s ASP 53 Ca -0.09 -0.91 0.01 0.00 -3.30 0.00 0.00 52.55 48.25 1nks s ASP 53 Cb 0.05 -0.01 0.57 0.00 -1.09 0.00 0.00 42.92 42.44 1nks s ASP 53 CO 0.64 -0.29 2.00 0.08 0.70 0.00 0.00 175.17 178.29 1nks h ARG 54 N 3.16 0.93 -0.10 2.11 0.11 -1.97 -2.65 114.38 115.97 1nks h ARG 54 Ca -0.37 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 59.65 1nks h ARG 54 Cb 1.19 -0.21 0.00 0.00 1.11 0.00 0.00 29.97 32.06 1nks h ARG 54 CO 0.58 0.61 0.00 -0.25 0.10 0.00 0.00 179.97 181.01 1nks n ASP 55 N -4.43 0.10 0.00 0.08 9.92 -1.26 -2.34 116.55 118.62 1nks n ASP 55 Ca 0.08 -1.30 0.00 0.00 -0.53 0.00 0.00 54.79 53.03 1nks n ASP 55 Cb 0.04 -0.05 0.00 0.00 -0.64 0.00 0.00 41.12 40.47 1nks n ASP 55 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1nks n GLU 56 N -0.40 5.40 0.07 -1.24 2.13 -1.00 -4.67 120.64 120.93 1nks n GLU 56 Ca 0.00 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.75 1nks n GLU 56 Cb 0.03 -0.48 0.08 0.00 0.27 0.00 0.00 31.44 31.34 1nks n GLU 56 CO 0.00 0.00 0.00 0.52 -0.41 0.00 0.00 177.13 177.24 1nks h MET 57 N 0.00 0.30 0.00 5.31 2.86 -1.51 -2.75 114.93 119.14 1nks h MET 57 Ca 0.00 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 1nks h MET 57 Cb 0.00 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1nks h MET 57 CO 0.00 0.85 0.00 2.89 1.06 0.00 0.00 176.91 181.71 1nks n ARG 58 N -3.86 0.17 0.00 1.72 1.85 -1.26 -2.17 116.66 113.11 1nks n ARG 58 Ca -0.03 0.08 0.11 0.00 -1.00 0.00 0.00 57.85 57.02 1nks n ARG 58 Cb 0.65 -1.50 0.11 0.00 -1.05 0.00 0.00 32.46 30.67 1nks n ARG 58 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1nks n LYS 59 N -1.39 0.14 -1.34 2.89 4.01 -1.04 -4.27 118.16 117.16 1nks n LYS 59 Ca 0.08 -0.10 -0.32 0.00 -0.51 0.00 0.00 58.31 57.47 1nks n LYS 59 Cb 0.23 -1.50 0.09 0.00 -0.51 0.00 0.00 35.03 33.34 1nks n LYS 59 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1nks s LEU 60 N -2.93 3.14 0.56 -0.35 1.43 -0.92 -4.90 118.68 114.70 1nks s LEU 60 Ca 0.11 2.00 -0.21 0.00 -1.03 0.00 0.00 54.13 55.00 1nks s LEU 60 Cb 0.17 -4.55 -0.05 0.00 0.03 0.00 0.00 46.19 41.80 1nks s LEU 60 CO 0.74 -2.12 1.26 -1.54 0.23 0.00 0.00 176.35 174.92 1nks n SER 61 N -3.22 2.18 -0.34 2.29 3.41 -1.26 -4.74 113.62 111.95 1nks n SER 61 Ca 0.10 0.94 0.15 0.00 -0.26 0.00 0.00 58.87 59.80 1nks n SER 61 Cb 0.52 -1.53 0.37 0.00 -0.26 0.00 0.00 64.21 63.32 1nks n SER 61 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1nks h VAL 62 N 1.18 0.67 -0.38 -3.33 2.07 -1.97 0.02 116.25 114.51 1nks h VAL 62 Ca -0.50 -0.23 -0.09 0.00 0.82 0.00 0.00 66.70 66.70 1nks h VAL 62 Cb 1.32 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1nks h VAL 62 CO 0.56 0.12 -0.13 1.05 0.02 0.00 0.00 177.57 179.19 1nks h GLU 63 N 0.67 0.68 -0.15 1.57 9.09 -1.99 -0.63 114.58 123.81 1nks h GLU 63 Ca 0.57 -0.22 -0.15 0.00 0.05 0.00 0.00 59.36 59.61 1nks h GLU 63 Cb 1.02 -0.06 0.00 0.00 -1.65 0.00 0.00 28.75 28.07 1nks h GLU 63 CO -0.36 0.78 -0.50 0.87 0.05 0.00 0.00 179.01 179.85 1nks h LYS 64 N 0.61 0.61 -0.98 1.06 1.57 -1.35 -2.44 116.57 115.65 1nks h LYS 64 Ca 0.11 -0.45 0.05 0.00 -1.87 0.00 0.00 60.65 58.49 1nks h LYS 64 Cb 0.57 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.90 1nks h LYS 64 CO 0.04 1.07 0.64 1.96 -0.57 0.00 0.00 179.45 182.58 1nks h GLN 65 N 0.26 1.14 -0.93 3.15 4.20 -1.27 0.14 115.11 121.80 1nks h GLN 65 Ca -0.02 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1nks h GLN 65 Cb 1.13 -0.26 -0.05 0.00 0.30 0.00 0.00 27.48 28.61 1nks h GLN 65 CO 0.11 0.76 0.57 0.87 -0.67 0.00 0.00 178.83 180.46 1nks h LYS 66 N 1.18 1.26 0.01 1.46 1.57 -0.97 0.11 116.57 121.18 1nks h LYS 66 Ca 0.41 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1nks h LYS 66 Cb 0.10 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.15 1nks h LYS 66 CO -0.15 0.87 -0.00 -0.22 -0.57 0.00 0.00 179.45 179.38 1nks h LYS 67 N 1.28 -0.01 -0.50 3.15 3.11 -0.29 -2.18 116.57 121.13 1nks h LYS 67 Ca 0.33 0.00 0.06 0.00 -2.81 0.00 0.00 60.65 58.23 1nks h LYS 67 Cb -0.07 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.11 1nks h LYS 67 CO -0.06 0.20 0.21 -0.07 -2.81 0.00 0.00 179.45 176.91 1nks h LEU 68 N -0.21 0.26 -0.56 5.20 3.38 -0.96 -1.64 115.31 120.78 1nks h LEU 68 Ca -0.00 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.09 1nks h LEU 68 Cb 0.21 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 1nks h LEU 68 CO 0.00 0.18 0.21 1.56 0.09 0.00 0.00 178.44 180.49 1nks h GLN 69 N 0.41 0.39 -0.59 1.13 4.20 -0.58 0.32 115.11 120.40 1nks h GLN 69 Ca 0.23 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.81 1nks h GLN 69 Cb 0.20 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1nks h GLN 69 CO -0.20 0.26 -0.05 0.82 -0.67 0.00 0.00 178.83 178.99 1nks h ILE 70 N 0.40 1.27 0.02 2.54 2.04 -1.04 -1.14 117.51 121.60 1nks h ILE 70 Ca 0.27 -1.21 -0.00 0.00 1.00 0.00 0.00 64.86 64.92 1nks h ILE 70 Cb 0.30 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1nks h ILE 70 CO -0.26 0.43 -0.01 -0.78 0.00 0.00 0.00 178.15 177.53 1nks h ASP 71 N 0.96 -0.02 -0.61 1.72 1.82 -0.57 -0.37 116.42 119.36 1nks h ASP 71 Ca 0.16 -0.19 0.05 0.00 -0.39 0.00 0.00 57.03 56.66 1nks h ASP 71 Cb 0.61 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.58 1nks h ASP 71 CO 0.04 0.18 0.33 0.00 -1.61 0.00 0.00 179.24 178.18 1nks h ALA 72 N 0.77 0.80 -0.40 -0.78 0.00 -0.97 -0.69 119.26 117.99 1nks h ALA 72 Ca -0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1nks h ALA 72 Cb 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1nks h ALA 72 CO 0.00 0.01 0.17 0.00 0.00 0.00 0.00 179.25 179.44 1nks h ALA 73 N 1.31 0.52 -0.64 0.00 0.00 -1.03 -0.40 119.26 119.03 1nks h ALA 73 Ca 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1nks h ALA 73 Cb 0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1nks h ALA 73 CO -0.16 0.11 0.42 0.87 0.00 0.00 0.00 179.25 180.48 1nks h LYS 74 N 0.50 0.84 0.80 0.00 1.79 -0.32 -0.35 116.57 119.83 1nks h LYS 74 Ca 0.13 -0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 58.51 1nks h LYS 74 Cb 0.17 -0.19 0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1nks h LYS 74 CO -0.01 0.56 -0.38 0.78 -1.08 0.00 0.00 179.45 179.32 1nks h GLY 75 N 0.87 -1.12 0.60 3.86 0.00 -0.63 -2.52 103.07 104.13 1nks h GLY 75 Ca 0.23 0.41 0.15 0.00 0.00 0.00 0.00 47.33 48.13 1nks h GLY 75 CO -0.05 -0.41 0.53 -2.22 0.00 0.00 0.00 176.54 174.40 1nks h ILE 76 N -1.28 0.79 -0.88 2.60 2.04 -0.96 0.65 117.51 120.48 1nks h ILE 76 Ca -0.11 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1nks h ILE 76 Cb 0.82 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 1nks h ILE 76 CO 0.18 0.09 0.52 0.00 0.00 0.00 0.00 178.15 178.94 1nks h ALA 77 N 1.63 1.12 -0.28 1.87 0.00 -0.94 -2.22 119.26 120.43 1nks h ALA 77 Ca 0.40 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1nks h ALA 77 Cb 0.85 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1nks h ALA 77 CO -0.15 0.58 0.04 1.49 0.00 0.00 0.00 179.25 181.21 1nks h GLU 78 N 1.21 0.47 0.00 0.00 4.81 -0.45 -2.64 114.58 117.97 1nks h GLU 78 Ca 0.31 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1nks h GLU 78 Cb -0.04 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 1nks h GLU 78 CO -0.06 0.59 -0.05 1.49 -0.73 0.00 0.00 179.01 180.25 1nks h GLU 79 N 0.28 0.00 -0.02 1.92 4.57 -1.20 -2.16 114.58 117.98 1nks h GLU 79 Ca 0.08 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.09 1nks h GLU 79 Cb 0.36 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 1nks h GLU 79 CO 0.01 0.05 -0.75 0.00 -1.18 0.00 0.00 179.01 177.13 1nks h ALA 80 N 1.95 0.70 -0.12 2.92 0.00 -1.14 -3.18 119.26 120.39 1nks h ALA 80 Ca -0.00 -0.65 -0.17 0.00 0.00 0.00 0.00 54.91 54.09 1nks h ALA 80 Cb 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1nks h ALA 80 CO 0.01 0.86 -0.63 0.00 0.00 0.00 0.00 179.25 179.48 1nks h ARG 81 N 0.10 0.42 -1.07 0.00 -0.00 -1.05 -3.12 114.38 109.65 1nks h ARG 81 Ca -0.02 -0.30 -0.27 0.00 -0.50 0.00 0.00 59.98 58.88 1nks h ARG 81 Cb 1.32 0.05 -0.15 0.00 0.00 0.00 0.00 29.97 31.19 1nks h ARG 81 CO 0.11 0.92 0.34 0.00 0.00 0.00 0.00 179.97 181.35 1nks n ALA 82 N -2.51 4.21 0.03 0.04 0.00 -0.99 -3.73 120.51 117.56 1nks n ALA 82 Ca -0.03 -1.49 0.04 0.00 0.00 0.00 0.00 53.44 51.95 1nks n ALA 82 Cb 0.65 -1.25 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 1nks n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nks n GLY 83 N -0.24 -0.26 5.22 0.00 0.00 -1.18 -5.02 105.19 103.72 1nks n GLY 83 Ca 0.30 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1nks n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nks n GLY 84 N 2.00 0.80 3.03 -0.02 0.00 -1.24 -4.70 105.19 105.05 1nks n GLY 84 Ca -0.01 0.39 -0.11 0.00 0.00 0.00 0.00 46.02 46.28 1nks n GLY 84 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nks s GLU 85 N 0.00 0.27 0.00 1.61 2.12 -1.26 -3.43 118.70 118.01 1nks s GLU 85 Ca 0.00 -0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.21 1nks s GLU 85 Cb 0.00 0.11 0.00 0.00 0.26 0.00 0.00 34.13 34.50 1nks s GLU 85 CO 0.00 -0.05 0.00 0.41 -0.54 0.00 0.00 175.26 175.08 1nks n GLY 86 N 2.34 0.94 3.66 -1.50 0.00 -1.26 -4.69 105.19 104.69 1nks n GLY 86 Ca -0.17 -2.29 -0.38 0.00 0.00 0.00 0.00 46.02 43.17 1nks n GLY 86 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nks s TYR 87 N -1.03 3.36 -0.22 1.61 2.02 -0.82 -1.32 117.35 120.97 1nks s TYR 87 Ca 0.00 0.64 -0.04 0.00 -0.37 0.00 0.00 57.07 57.30 1nks s TYR 87 Cb 0.00 -2.57 -0.01 0.00 -0.40 0.00 0.00 41.96 38.98 1nks s TYR 87 CO 0.00 -0.05 -0.03 -1.17 -1.57 0.00 0.00 175.55 172.73 1nks s LEU 88 N 1.45 3.01 -0.22 -1.29 2.96 -0.85 -1.80 118.68 121.95 1nks s LEU 88 Ca 0.20 -0.33 -0.07 0.00 -0.22 0.00 0.00 54.13 53.71 1nks s LEU 88 Cb -0.15 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 1nks s LEU 88 CO 0.09 0.00 0.05 -0.36 -1.32 0.00 0.00 176.35 174.80 1nks s PHE 89 N 1.35 3.10 -0.32 5.38 0.08 -0.71 -1.48 117.98 125.38 1nks s PHE 89 Ca 0.04 -0.32 -0.12 0.00 0.12 0.00 0.00 56.93 56.65 1nks s PHE 89 Cb -0.14 -2.15 -0.02 0.00 -0.57 0.00 0.00 43.02 40.13 1nks s PHE 89 CO -0.01 -0.21 0.21 0.42 -0.10 0.00 0.00 175.22 175.53 1nks s ILE 90 N 1.15 5.14 -0.38 0.64 1.01 -0.75 -1.58 121.20 126.43 1nks s ILE 90 Ca 0.04 -0.19 -0.22 0.00 0.00 0.00 0.00 60.65 60.28 1nks s ILE 90 Cb -0.14 -3.60 0.01 0.00 0.01 0.00 0.00 42.46 38.74 1nks s ILE 90 CO 0.03 0.06 0.70 -0.62 0.00 0.00 0.00 174.94 175.11 1nks s ASP 91 N 1.71 6.46 0.00 3.58 2.15 0.92 -0.44 116.67 131.04 1nks s ASP 91 Ca 0.06 0.15 0.00 0.00 0.43 0.00 0.00 52.55 53.19 1nks s ASP 91 Cb -0.17 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 1nks s ASP 91 CO 0.10 -0.69 0.00 1.07 -0.17 0.00 0.00 175.17 175.47 1nks n THR 92 N 5.74 0.00 -4.32 1.71 5.66 -0.28 -0.52 114.28 122.27 1nks n THR 92 Ca 0.01 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.79 1nks n THR 92 Cb 0.48 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.15 1nks n THR 92 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1nks s HIS 93 N -3.31 1.80 -0.10 1.09 3.76 -1.26 -3.35 115.29 113.92 1nks s HIS 93 Ca 0.00 -0.46 -0.13 0.00 -0.15 0.00 0.00 55.06 54.31 1nks s HIS 93 Cb 0.00 -0.92 -0.27 0.00 1.11 0.00 0.00 32.58 32.50 1nks s HIS 93 CO 0.00 0.30 0.52 0.00 -0.85 0.00 0.00 174.74 174.71 1nks h ALA 94 N 3.41 0.23 -3.14 -1.40 0.00 -1.91 -3.36 119.26 113.09 1nks h ALA 94 Ca -0.43 -1.17 -0.22 0.00 0.00 0.00 0.00 54.91 53.09 1nks h ALA 94 Cb 1.20 0.54 -0.22 0.00 0.00 0.00 0.00 17.79 19.31 1nks h ALA 94 CO 0.49 0.95 -0.72 0.14 0.00 0.00 0.00 179.25 180.11 1nks s VAL 95 N -2.51 0.30 -0.19 0.00 -7.23 -1.26 0.12 120.40 109.62 1nks s VAL 95 Ca -0.20 -0.90 -0.03 0.00 -1.81 0.00 0.00 61.98 59.05 1nks s VAL 95 Cb 0.05 -0.39 -0.01 0.00 0.56 0.00 0.00 36.38 36.59 1nks s VAL 95 CO 0.77 -0.39 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.46 1nks s ILE 96 N -1.28 3.19 -0.08 -0.62 1.09 1.00 -4.86 121.20 119.63 1nks s ILE 96 Ca -0.12 -0.57 -0.30 0.00 -1.10 0.00 0.00 60.65 58.57 1nks s ILE 96 Cb -0.09 -2.42 -0.04 0.00 -1.06 0.00 0.00 42.46 38.85 1nks s ILE 96 CO -0.00 0.46 1.53 -0.13 -0.10 0.00 0.00 174.94 176.70 1nks s ARG 97 N 1.18 4.20 0.24 2.79 0.52 -1.26 -1.02 118.95 125.60 1nks s ARG 97 Ca 0.02 2.03 0.04 0.00 -0.52 0.00 0.00 55.73 57.30 1nks s ARG 97 Cb -0.14 -3.89 -0.05 0.00 0.52 0.00 0.00 34.95 31.38 1nks s ARG 97 CO -0.02 -0.79 -0.01 0.95 0.02 0.00 0.00 175.30 175.45 1nks s THR 98 N 3.76 1.11 0.56 0.02 -4.23 -0.53 -4.95 115.64 111.37 1nks s THR 98 Ca 0.68 -2.04 0.23 0.00 -1.18 0.00 0.00 61.69 59.38 1nks s THR 98 Cb -0.30 -2.37 0.32 0.00 1.34 0.00 0.00 72.50 71.49 1nks s THR 98 CO 0.25 -0.31 2.19 -0.65 -0.54 0.00 0.00 174.62 175.56 1nks h PRO 99 N 2.44 0.00 -0.15 3.99 0.11 -1.91 -0.52 132.00 135.97 1nks h PRO 99 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1nks h PRO 99 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1nks h PRO 99 CO 0.65 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.87 1nks n SER 100 N -4.17 1.26 0.00 -2.05 7.64 -1.26 -5.06 113.62 109.99 1nks n SER 100 Ca -0.02 -1.69 0.00 0.00 1.01 0.00 0.00 58.87 58.16 1nks n SER 100 Cb 0.12 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 1nks n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nks n GLY 101 N 1.02 -0.48 3.69 0.23 0.00 -0.20 -4.99 105.19 104.46 1nks n GLY 101 Ca 0.14 -2.21 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 1nks n GLY 101 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nks s TYR 102 N 0.00 3.38 -0.21 1.61 2.02 -1.26 -1.45 117.35 121.44 1nks s TYR 102 Ca 0.00 1.41 -0.08 0.00 -0.37 0.00 0.00 57.07 58.03 1nks s TYR 102 Cb 0.00 -3.30 -0.04 0.00 -0.40 0.00 0.00 41.96 38.22 1nks s TYR 102 CO 0.00 -0.77 0.08 -1.17 -1.57 0.00 0.00 175.55 172.12 1nks s LEU 103 N 1.91 3.76 0.22 -1.29 2.96 -0.19 -4.88 118.68 121.16 1nks s LEU 103 Ca 0.53 0.00 -0.30 0.00 -0.22 0.00 0.00 54.13 54.14 1nks s LEU 103 Cb -0.22 -1.98 -0.10 0.00 0.50 0.00 0.00 46.19 44.39 1nks s LEU 103 CO 0.22 0.10 1.42 -2.84 -1.32 0.00 0.00 176.35 173.92 1nks s PRO 104 N 0.85 4.30 0.37 0.98 0.02 -1.26 -0.00 135.00 140.26 1nks s PRO 104 Ca 0.04 2.23 0.20 0.00 0.02 0.00 0.00 61.00 63.49 1nks s PRO 104 Cb -0.13 -3.15 0.33 0.00 0.02 0.00 0.00 34.50 31.56 1nks s PRO 104 CO 0.02 -0.40 1.58 0.78 -0.33 0.00 0.00 177.00 178.65 1nks h GLY 105 N 5.45 0.00 -5.87 0.52 0.00 -0.47 -3.38 103.07 99.32 1nks h GLY 105 Ca -0.45 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.32 1nks h GLY 105 CO 0.80 0.00 -0.86 1.04 0.00 0.00 0.00 176.54 177.52 1nks n LEU 106 N -3.19 2.46 -4.58 3.11 4.77 -1.26 -4.98 117.00 113.33 1nks n LEU 106 Ca 0.03 -5.23 -0.29 0.00 -0.03 0.00 0.00 56.01 50.48 1nks n LEU 106 Cb 0.60 -0.03 0.22 0.00 -2.33 0.00 0.00 43.42 41.88 1nks n LEU 106 CO 0.36 2.19 0.59 -2.16 -1.33 0.00 0.00 177.39 177.04 1nks s PRO 107 N -2.42 -0.50 0.21 3.23 0.04 -1.26 -4.55 135.00 129.76 1nks s PRO 107 Ca 0.41 0.46 -0.09 0.00 0.04 0.00 0.00 61.00 61.82 1nks s PRO 107 Cb 0.23 -1.63 0.29 0.00 0.04 0.00 0.00 34.50 33.43 1nks s PRO 107 CO -0.08 -3.34 1.76 0.66 0.04 0.00 0.00 177.00 176.03 1nks h SER 108 N -2.33 0.30 0.54 6.66 4.64 -1.98 -0.69 113.55 120.69 1nks h SER 108 Ca -0.55 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1nks h SER 108 Cb 1.33 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1nks h SER 108 CO 0.51 0.17 0.00 0.00 -0.87 0.00 0.00 176.83 176.64 1nks n TYR 109 N -4.95 0.44 -0.07 4.77 0.18 -1.26 -1.52 117.16 114.75 1nks n TYR 109 Ca 0.09 0.18 -0.22 0.00 1.88 0.00 0.00 57.90 59.83 1nks n TYR 109 Cb 0.27 -0.79 -0.12 0.00 -0.38 0.00 0.00 39.34 38.32 1nks n TYR 109 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 1nks n VAL 110 N -1.91 1.62 -0.14 -3.48 0.31 -0.35 -4.08 118.33 110.29 1nks n VAL 110 Ca 0.02 -0.31 0.10 0.00 -0.01 0.00 0.00 64.34 64.14 1nks n VAL 110 Cb 0.18 -1.89 0.43 0.00 -0.91 0.00 0.00 33.84 31.65 1nks n VAL 110 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1nks h ILE 111 N -0.58 0.94 0.00 2.52 1.08 -1.03 -1.84 117.51 118.60 1nks h ILE 111 Ca -0.43 -0.20 -0.12 0.00 -0.39 0.00 0.00 64.86 63.73 1nks h ILE 111 Cb 1.62 0.32 -0.02 0.00 -3.07 0.00 0.00 36.82 35.67 1nks h ILE 111 CO -0.13 0.11 -0.57 0.71 -0.69 0.00 0.00 178.15 177.58 1nks h THR 112 N 0.58 1.24 0.05 -0.27 1.35 -1.46 0.05 112.91 114.45 1nks h THR 112 Ca 0.30 -2.08 -0.24 0.00 -0.55 0.00 0.00 66.41 63.85 1nks h THR 112 Cb 0.43 2.17 -0.00 0.00 -1.73 0.00 0.00 68.15 69.02 1nks h THR 112 CO -0.10 0.56 -1.05 -0.33 -0.25 0.00 0.00 175.52 174.35 1nks h GLU 113 N 0.00 0.29 0.00 4.72 4.39 -1.49 -3.41 114.58 119.08 1nks h GLU 113 Ca -0.01 -0.38 -0.35 0.00 0.34 0.00 0.00 59.36 58.97 1nks h GLU 113 Cb 1.13 0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.85 1nks h GLU 113 CO 0.07 1.11 -2.04 -0.89 -1.16 0.00 0.00 179.01 176.10 1nks n ILE 114 N -3.62 1.52 -3.20 3.13 5.41 -0.99 -4.77 119.36 116.83 1nks n ILE 114 Ca -0.06 -0.23 -0.08 0.00 1.00 0.00 0.00 62.75 63.38 1nks n ILE 114 Cb 0.91 -1.99 0.02 0.00 -0.71 0.00 0.00 39.64 37.87 1nks n ILE 114 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1nks n ASN 115 N -4.32 -7.14 -4.59 4.38 3.02 -0.00 -4.97 115.26 101.63 1nks n ASN 115 Ca -0.44 -0.36 -0.29 0.00 -0.03 0.00 0.00 54.58 53.46 1nks n ASN 115 Cb 0.78 -4.91 0.21 0.00 -0.61 0.00 0.00 39.78 35.25 1nks n ASN 115 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1nks s PRO 116 N -3.69 -0.10 -0.21 3.52 0.04 -1.26 -4.82 135.00 128.47 1nks s PRO 116 Ca 0.15 0.75 -0.03 0.00 0.04 0.00 0.00 61.00 61.91 1nks s PRO 116 Cb -0.03 -1.66 -0.12 0.00 0.04 0.00 0.00 34.50 32.73 1nks s PRO 116 CO 0.77 -3.15 -0.22 0.43 0.04 0.00 0.00 177.00 174.87 1nks n SER 117 N -4.50 2.12 -4.06 6.66 7.64 -0.42 -4.59 113.62 116.47 1nks n SER 117 Ca 0.05 0.01 -0.19 0.00 1.01 0.00 0.00 58.87 59.75 1nks n SER 117 Cb 0.55 -0.43 -0.14 0.00 -1.01 0.00 0.00 64.21 63.18 1nks n SER 117 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1nks s VAL 118 N -2.41 0.85 -0.21 0.44 1.01 -1.24 -1.80 120.40 117.04 1nks s VAL 118 Ca -0.29 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1nks s VAL 118 Cb 0.09 -0.73 0.03 0.00 0.00 0.00 0.00 36.38 35.77 1nks s VAL 118 CO 0.45 0.15 -0.15 -0.63 0.00 0.00 0.00 175.10 174.92 1nks s ILE 119 N -0.41 2.22 -0.10 2.22 1.01 -0.43 -0.72 121.20 124.99 1nks s ILE 119 Ca 0.03 -1.13 -0.10 0.00 0.00 0.00 0.00 60.65 59.45 1nks s ILE 119 Cb -0.05 -2.06 -0.05 0.00 0.01 0.00 0.00 42.46 40.31 1nks s ILE 119 CO -0.00 0.34 0.22 -0.36 0.00 0.00 0.00 174.94 175.14 1nks s PHE 120 N 1.25 3.60 -0.39 3.97 0.08 0.59 -1.30 117.98 125.78 1nks s PHE 120 Ca 0.01 0.63 -0.06 0.00 0.12 0.00 0.00 56.93 57.62 1nks s PHE 120 Cb -0.15 -2.09 0.08 0.00 -0.57 0.00 0.00 43.02 40.29 1nks s PHE 120 CO -0.10 0.62 0.18 -0.51 -0.10 0.00 0.00 175.22 175.32 1nks s LEU 121 N -0.76 4.87 -0.07 -0.37 1.43 0.12 -1.54 118.68 122.36 1nks s LEU 121 Ca 0.17 -1.55 -0.30 0.00 -1.03 0.00 0.00 54.13 51.42 1nks s LEU 121 Cb -0.13 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 1nks s LEU 121 CO 0.06 -0.47 1.11 -0.76 0.23 0.00 0.00 176.35 176.52 1nks s LEU 122 N 1.32 4.27 0.31 1.79 2.01 -0.68 -0.58 118.68 127.12 1nks s LEU 122 Ca 0.02 1.70 0.03 0.00 0.01 0.00 0.00 54.13 55.90 1nks s LEU 122 Cb -0.22 -3.56 -0.06 0.00 0.01 0.00 0.00 46.19 42.37 1nks s LEU 122 CO 0.00 -0.51 0.08 -1.61 1.01 0.00 0.00 176.35 175.32 1nks s GLU 123 N 2.05 1.60 0.05 1.70 2.02 0.34 -4.31 118.70 122.15 1nks s GLU 123 Ca 0.53 -1.89 -0.27 0.00 0.02 0.00 0.00 54.97 53.35 1nks s GLU 123 Cb -0.22 -0.63 0.09 0.00 0.10 0.00 0.00 34.13 33.47 1nks s GLU 123 CO 0.21 -0.26 0.81 0.00 0.02 0.00 0.00 175.26 176.04 1nks s ALA 124 N -3.44 -1.75 0.34 5.21 0.00 -1.26 -1.88 121.76 118.98 1nks s ALA 124 Ca 0.36 0.84 -0.29 0.00 0.00 0.00 0.00 51.96 52.87 1nks s ALA 124 Cb 0.08 0.56 -0.11 0.00 0.00 0.00 0.00 23.12 23.65 1nks s ALA 124 CO 0.15 -0.72 1.47 0.34 0.00 0.00 0.00 175.76 177.00 1nks s ASP 125 N -2.57 6.44 0.28 0.00 2.15 -1.26 -4.87 116.67 116.84 1nks s ASP 125 Ca 0.04 2.94 0.01 0.00 0.43 0.00 0.00 52.55 55.97 1nks s ASP 125 Cb -0.01 -2.66 0.56 0.00 -0.30 0.00 0.00 42.92 40.52 1nks s ASP 125 CO -0.10 -0.81 1.80 -0.65 -0.17 0.00 0.00 175.17 175.24 1nks h PRO 126 N 3.58 0.82 -0.16 4.34 0.11 -1.98 -2.27 132.00 136.44 1nks h PRO 126 Ca -0.49 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.60 1nks h PRO 126 Cb 1.23 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 32.12 1nks h PRO 126 CO 0.68 0.54 -0.07 0.87 -0.21 0.00 0.00 178.00 179.82 1nks h LYS 127 N 0.84 -0.04 -0.70 1.05 1.57 -1.97 -0.37 116.57 116.95 1nks h LYS 127 Ca 0.49 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.40 1nks h LYS 127 Cb 0.59 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.86 1nks h LYS 127 CO -0.31 -0.03 0.47 0.82 -0.57 0.00 0.00 179.45 179.83 1nks h ILE 128 N -0.05 0.85 0.07 1.86 5.03 -1.79 -2.27 117.51 121.21 1nks h ILE 128 Ca 0.09 -0.15 -0.26 0.00 -0.12 0.00 0.00 64.86 64.41 1nks h ILE 128 Cb 0.17 0.36 0.01 0.00 -3.03 0.00 0.00 36.82 34.34 1nks h ILE 128 CO -0.19 0.08 -1.12 0.40 -0.68 0.00 0.00 178.15 176.64 1nks h ILE 129 N 0.45 1.39 -0.30 -0.67 2.04 -0.92 -3.08 117.51 116.42 1nks h ILE 129 Ca 0.33 -2.61 0.02 0.00 1.00 0.00 0.00 64.86 63.60 1nks h ILE 129 Cb 0.69 2.64 -0.02 0.00 -0.74 0.00 0.00 36.82 39.39 1nks h ILE 129 CO -0.10 0.78 0.15 -0.07 0.00 0.00 0.00 178.15 178.91 1nks h LEU 130 N 0.20 0.23 0.44 1.44 3.38 -0.54 -2.92 115.31 117.55 1nks h LEU 130 Ca -0.13 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1nks h LEU 130 Cb 1.79 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.51 1nks h LEU 130 CO 0.20 0.17 -0.24 0.77 0.09 0.00 0.00 178.44 179.43 1nks h SER 131 N 0.32 -0.60 -1.91 -0.43 4.64 -1.55 -3.02 113.55 111.00 1nks h SER 131 Ca 0.12 0.03 0.55 0.00 -0.47 0.00 0.00 61.79 62.02 1nks h SER 131 Cb 0.03 0.17 -0.08 0.00 -0.31 0.00 0.00 62.40 62.21 1nks h SER 131 CO -0.08 -0.39 1.42 0.54 -0.87 0.00 0.00 176.83 177.45 1nks n ARG 132 N -3.83 0.00 0.14 4.77 1.74 -1.16 -0.35 116.66 117.97 1nks n ARG 132 Ca -0.08 1.08 0.01 0.00 -0.77 0.00 0.00 57.85 58.09 1nks n ARG 132 Cb 0.26 -2.51 0.15 0.00 -1.02 0.00 0.00 32.46 29.33 1nks n ARG 132 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1nks h GLN 133 N 0.00 0.00 0.00 5.56 4.20 -1.38 -3.21 115.11 120.28 1nks h GLN 133 Ca 0.91 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.60 1nks h GLN 133 Cb 3.73 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 31.51 1nks h GLN 133 CO -0.01 0.57 -0.42 0.87 -0.67 0.00 0.00 178.83 179.18 1nks h LYS 134 N 0.00 0.00 -0.01 1.46 1.57 -0.75 -3.27 116.57 115.57 1nks h LYS 134 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1nks h LYS 134 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1nks h LYS 134 CO 0.07 0.04 -0.05 0.54 -0.57 0.00 0.00 179.45 179.49 1nks n ARG 135 N -2.96 1.06 -4.07 3.15 1.74 -1.21 -4.74 116.66 109.64 1nks n ARG 135 Ca 0.02 -0.37 -0.32 0.00 -0.77 0.00 0.00 57.85 56.41 1nks n ARG 135 Cb 0.56 -1.49 -0.16 0.00 -1.02 0.00 0.00 32.46 30.35 1nks n ARG 135 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1nks s ASP 136 N -2.20 3.11 -0.06 0.55 2.15 -1.24 -4.98 116.67 114.01 1nks s ASP 136 Ca 0.37 -0.68 0.09 0.00 0.43 0.00 0.00 52.55 52.77 1nks s ASP 136 Cb 0.21 -1.35 0.14 0.00 -0.30 0.00 0.00 42.92 41.62 1nks s ASP 136 CO 0.40 -0.05 1.05 0.41 -0.17 0.00 0.00 175.17 176.82 1nks n THR 137 N 4.66 1.34 1.19 1.71 -1.04 -1.26 -3.88 114.28 117.01 1nks n THR 137 Ca -0.18 -1.53 0.13 0.00 -2.04 0.00 0.00 64.05 60.42 1nks n THR 137 Cb 0.49 0.16 0.25 0.00 -1.82 0.00 0.00 70.33 69.41 1nks n THR 137 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1nks n THR 138 N -0.91 0.00 0.00 12.58 -2.24 -1.26 -4.54 114.28 117.91 1nks n THR 138 Ca 0.08 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1nks n THR 138 Cb 0.48 0.97 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 1nks n THR 138 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1nks n ARG 139 N 0.41 0.00 0.00 -0.78 3.00 -1.26 -5.10 116.66 112.93 1nks n ARG 139 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.99 1nks n ARG 139 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.92 1nks n ARG 139 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1nks n ASN 140 N -1.93 0.00 0.00 6.15 4.05 -1.25 -5.02 115.26 117.26 1nks n ASN 140 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1nks n ASN 140 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1nks n ASN 140 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 1nks n ARG 141 N 1.04 0.00 0.00 1.20 3.00 -1.26 -4.99 116.66 115.65 1nks n ARG 141 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.85 57.98 1nks n ARG 141 Cb 0.00 0.00 0.58 0.00 0.00 0.00 0.00 32.46 33.04 1nks n ARG 141 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1nks n ASN 142 N 0.00 0.00 0.22 6.15 5.03 -1.26 -3.46 115.26 121.94 1nks n ASN 142 Ca 0.00 0.41 0.10 0.00 0.87 0.00 0.00 54.58 55.96 1nks n ASN 142 Cb 0.00 -0.47 0.40 0.00 -1.02 0.00 0.00 39.78 38.69 1nks n ASN 142 CO 0.00 0.00 0.00 -2.24 -1.83 0.00 0.00 177.26 173.19 1nks h ASP 143 N 0.00 0.00 -1.27 6.41 2.03 -2.04 -3.34 116.42 118.21 1nks h ASP 143 Ca 0.00 0.00 -0.75 0.00 -0.73 0.00 0.00 57.03 55.55 1nks h ASP 143 Cb 0.42 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 38.78 1nks h ASP 143 CO 0.00 0.22 2.13 -1.22 -1.03 0.00 0.00 179.24 179.33 1nks n TYR 144 N -3.31 2.93 0.17 4.15 4.02 -1.22 -4.74 117.16 119.16 1nks n TYR 144 Ca 0.01 -2.80 -0.07 0.00 -0.01 0.00 0.00 57.90 55.03 1nks n TYR 144 Cb 0.46 -1.98 -0.03 0.00 -0.02 0.00 0.00 39.34 37.77 1nks n TYR 144 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 1nks h SER 145 N 5.69 -0.39 -4.62 7.72 0.02 -1.88 -3.48 113.55 116.61 1nks h SER 145 Ca 0.42 0.01 -0.51 0.00 -0.84 0.00 0.00 61.79 60.87 1nks h SER 145 Cb 0.61 0.10 -0.09 0.00 0.14 0.00 0.00 62.40 63.16 1nks h SER 145 CO 1.64 -0.18 -0.37 -0.90 -1.14 0.00 0.00 176.83 175.88 1nks n ASP 146 N -3.80 3.06 0.24 3.07 5.75 -1.26 -5.03 116.55 118.58 1nks n ASP 146 Ca -0.06 -2.72 0.16 0.00 -0.01 0.00 0.00 54.79 52.16 1nks n ASP 146 Cb 0.18 0.26 0.63 0.00 -1.03 0.00 0.00 41.12 41.16 1nks n ASP 146 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1nks h GLU 147 N 0.00 0.00 -0.13 0.11 5.08 -1.94 -2.94 114.58 114.76 1nks h GLU 147 Ca -0.33 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.92 1nks h GLU 147 Cb 1.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 1nks h GLU 147 CO 0.54 0.00 -0.43 0.77 -1.00 0.00 0.00 179.01 178.89 1nks h SER 148 N 0.00 0.32 0.84 1.42 0.02 -2.00 -2.21 113.55 111.95 1nks h SER 148 Ca 0.00 -0.14 -0.17 0.00 -0.84 0.00 0.00 61.79 60.64 1nks h SER 148 Cb 0.48 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 1nks h SER 148 CO 0.00 0.72 -0.79 0.58 -1.14 0.00 0.00 176.83 176.20 1nks h VAL 149 N 0.25 1.53 0.01 2.27 2.07 -1.89 -2.63 116.25 117.87 1nks h VAL 149 Ca 0.02 -2.73 -0.27 0.00 0.82 0.00 0.00 66.70 64.54 1nks h VAL 149 Cb 0.87 2.49 0.02 0.00 -1.52 0.00 0.00 31.29 33.14 1nks h VAL 149 CO 0.07 0.77 -1.06 0.40 0.02 0.00 0.00 177.57 177.77 1nks h ILE 150 N 0.00 1.29 0.34 4.57 2.04 -1.56 -2.40 117.51 121.79 1nks h ILE 150 Ca -0.01 -2.29 -0.01 0.00 1.00 0.00 0.00 64.86 63.55 1nks h ILE 150 Cb 1.42 2.42 -0.00 0.00 -0.74 0.00 0.00 36.82 39.92 1nks h ILE 150 CO 0.10 0.71 -0.21 0.25 0.00 0.00 0.00 178.15 179.00 1nks h LEU 151 N 0.37 -0.52 -0.90 1.44 7.12 -1.44 0.28 115.31 121.65 1nks h LEU 151 Ca -0.13 0.03 0.10 0.00 0.13 0.00 0.00 57.88 58.01 1nks h LEU 151 Cb 1.71 0.16 -0.08 0.00 -0.53 0.00 0.00 40.66 41.92 1nks h LEU 151 CO 0.21 -0.34 0.54 -0.08 -0.13 0.00 0.00 178.44 178.64 1nks h GLU 152 N -0.53 0.87 -0.34 1.25 4.81 -1.54 0.13 114.58 119.23 1nks h GLU 152 Ca -0.04 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 58.98 1nks h GLU 152 Cb 0.44 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1nks h GLU 152 CO 0.04 0.58 -0.42 1.15 -0.73 0.00 0.00 179.01 179.62 1nks h THR 153 N 0.90 1.28 -0.92 0.32 2.02 -1.14 -0.88 112.91 114.49 1nks h THR 153 Ca 0.43 -1.60 0.03 0.00 0.77 0.00 0.00 66.41 66.04 1nks h THR 153 Cb 0.38 1.46 -0.05 0.00 -1.74 0.00 0.00 68.15 68.21 1nks h THR 153 CO -0.25 0.53 0.60 0.40 0.37 0.00 0.00 175.52 177.17 1nks h ILE 154 N 0.69 1.17 -0.02 3.11 2.04 0.24 -0.81 117.51 123.93 1nks h ILE 154 Ca 0.05 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 1nks h ILE 154 Cb 1.01 -0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1nks h ILE 154 CO 0.10 0.21 0.00 0.78 0.00 0.00 0.00 178.15 179.24 1nks h ASN 155 N 1.17 0.03 -0.38 1.72 2.35 -0.78 -0.99 115.58 118.70 1nks h ASN 155 Ca 0.36 -0.26 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 1nks h ASN 155 Cb -0.02 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1nks h ASN 155 CO -0.11 0.28 0.19 -0.26 -1.65 0.00 0.00 177.43 175.88 1nks h PHE 156 N -0.22 0.58 -0.54 1.19 -1.00 -0.93 0.17 116.94 116.19 1nks h PHE 156 Ca 0.01 -0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.78 1nks h PHE 156 Cb 0.26 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 39.61 1nks h PHE 156 CO 0.01 0.44 0.35 0.00 -1.61 0.00 0.00 178.31 177.50 1nks h ALA 157 N 1.62 0.69 -0.27 2.45 0.00 -0.97 0.40 119.26 123.17 1nks h ALA 157 Ca 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1nks h ALA 157 Cb 0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1nks h ALA 157 CO -0.02 0.09 0.13 0.00 0.00 0.00 0.00 179.25 179.45 1nks h ARG 158 N 0.70 0.40 -0.23 0.00 3.08 0.45 0.18 114.38 118.96 1nks h ARG 158 Ca 0.20 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 1nks h ARG 158 Cb -0.04 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1nks h ARG 158 CO -0.06 0.40 0.13 1.88 -1.07 0.00 0.00 179.97 181.24 1nks h TYR 159 N 0.30 0.31 -0.57 3.04 0.05 -0.21 -0.31 116.97 119.58 1nks h TYR 159 Ca 0.09 -0.01 -0.07 0.00 0.05 0.00 0.00 58.73 58.79 1nks h TYR 159 Cb 0.13 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 37.75 1nks h TYR 159 CO -0.02 0.27 0.07 0.00 -1.05 0.00 0.00 178.16 177.43 1nks h ALA 160 N 1.01 0.76 -0.46 3.88 0.00 -0.06 -1.20 119.26 123.20 1nks h ALA 160 Ca 0.08 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 1nks h ALA 160 Cb 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1nks h ALA 160 CO -0.01 0.54 -0.13 0.00 0.00 0.00 0.00 179.25 179.64 1nks h ALA 161 N 0.99 0.63 -0.50 0.00 0.00 -0.47 -0.67 119.26 119.24 1nks h ALA 161 Ca 0.17 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1nks h ALA 161 Cb 0.45 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1nks h ALA 161 CO 0.02 0.54 0.01 1.15 0.00 0.00 0.00 179.25 180.97 1nks h THR 162 N 0.73 1.25 -0.79 0.00 2.02 -0.86 0.34 112.91 115.60 1nks h THR 162 Ca 0.11 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.27 1nks h THR 162 Cb 0.68 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 67.90 1nks h THR 162 CO 0.05 0.36 0.45 0.00 0.37 0.00 0.00 175.52 176.74 1nks h ALA 163 N 1.23 1.00 -0.64 6.16 0.00 -0.84 0.67 119.26 126.84 1nks h ALA 163 Ca 0.15 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1nks h ALA 163 Cb 0.45 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1nks h ALA 163 CO 0.02 0.50 0.11 0.77 0.00 0.00 0.00 179.25 180.65 1nks h SER 164 N 1.08 1.02 -0.91 0.00 0.02 -0.31 -2.28 113.55 112.17 1nks h SER 164 Ca 0.28 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1nks h SER 164 Cb 0.01 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.23 1nks h SER 164 CO -0.05 1.02 0.53 0.00 -1.14 0.00 0.00 176.83 177.19 1nks h ALA 165 N 1.04 1.21 -0.01 3.77 0.00 0.73 -1.24 119.26 124.76 1nks h ALA 165 Ca 0.20 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1nks h ALA 165 Cb 0.43 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1nks h ALA 165 CO 0.01 0.66 -0.39 0.28 0.00 0.00 0.00 179.25 179.81 1nks h VAL 166 N 1.26 1.28 0.02 0.00 2.07 -0.67 0.39 116.25 120.60 1nks h VAL 166 Ca 0.32 -1.34 -0.18 0.00 0.82 0.00 0.00 66.70 66.33 1nks h VAL 166 Cb -0.02 1.71 0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1nks h VAL 166 CO -0.06 0.38 -0.70 -0.07 0.02 0.00 0.00 177.57 177.15 1nks h LEU 167 N 0.01 0.58 -0.26 2.57 3.38 -0.82 -3.35 115.31 117.42 1nks h LEU 167 Ca -0.00 -0.78 -0.20 0.00 0.09 0.00 0.00 57.88 56.99 1nks h LEU 167 Cb 0.69 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1nks h LEU 167 CO 0.05 1.29 -0.89 0.00 0.09 0.00 0.00 178.44 178.98 1nks h ALA 168 N 0.31 0.52 0.00 1.53 0.00 -1.06 -3.48 119.26 117.08 1nks h ALA 168 Ca -0.09 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1nks h ALA 168 Cb 1.41 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1nks h ALA 168 CO 0.14 0.95 0.00 0.41 0.00 0.00 0.00 179.25 180.75 1nks n GLY 169 N 0.92 0.80 3.97 0.00 0.00 0.13 -4.97 105.19 106.04 1nks n GLY 169 Ca -0.03 -0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 1nks n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nks s SER 170 N -2.15 5.63 0.54 1.61 1.04 -0.92 -5.03 113.70 114.42 1nks s SER 170 Ca 0.00 0.09 0.02 0.00 0.48 0.00 0.00 55.95 56.54 1nks s SER 170 Cb 0.00 -1.21 0.03 0.00 0.10 0.00 0.00 66.02 64.94 1nks s SER 170 CO 0.00 -0.84 0.76 0.42 0.98 0.00 0.00 173.24 174.56 1nks s THR 171 N -2.58 2.70 -0.08 2.02 -4.23 -0.74 -4.64 115.64 108.08 1nks s THR 171 Ca 0.52 -0.69 0.02 0.00 -1.18 0.00 0.00 61.69 60.35 1nks s THR 171 Cb -0.10 -3.00 0.02 0.00 1.34 0.00 0.00 72.50 70.75 1nks s THR 171 CO 0.37 -0.00 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.64 1nks s VAL 172 N -2.73 1.15 -0.12 2.29 1.01 -1.26 -1.31 120.40 119.43 1nks s VAL 172 Ca 0.57 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 62.12 1nks s VAL 172 Cb -0.10 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.21 1nks s VAL 172 CO 0.38 0.37 -0.21 -0.75 0.00 0.00 0.00 175.10 174.88 1nks s LYS 173 N 0.88 2.87 -0.20 2.72 2.36 -0.42 -4.95 119.74 123.00 1nks s LYS 173 Ca -0.10 -0.81 -0.19 0.00 -2.55 0.00 0.00 55.97 52.32 1nks s LYS 173 Cb -0.15 -2.28 -0.03 0.00 -1.05 0.00 0.00 37.83 34.32 1nks s LYS 173 CO 0.01 0.04 0.53 0.08 1.55 0.00 0.00 175.35 177.56 1nks s VAL 174 N 0.68 5.10 -0.10 4.02 1.01 -1.26 0.12 120.40 129.95 1nks s VAL 174 Ca -0.11 0.97 0.04 0.00 0.00 0.00 0.00 61.98 62.88 1nks s VAL 174 Cb -0.16 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1nks s VAL 174 CO 0.02 0.17 -0.24 -0.63 0.00 0.00 0.00 175.10 174.42 1nks s ILE 175 N 1.69 2.06 -0.13 2.22 1.01 0.25 -4.93 121.20 123.37 1nks s ILE 175 Ca 0.24 -1.02 -0.19 0.00 0.00 0.00 0.00 60.65 59.69 1nks s ILE 175 Cb -0.15 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 1nks s ILE 175 CO 0.10 0.56 0.53 -0.69 0.00 0.00 0.00 174.94 175.43 1nks s VAL 176 N 0.39 5.14 -0.53 2.92 1.01 -1.26 -0.50 120.40 127.56 1nks s VAL 176 Ca -0.18 1.05 -0.22 0.00 0.00 0.00 0.00 61.98 62.63 1nks s VAL 176 Cb -0.18 -3.86 0.05 0.00 0.00 0.00 0.00 36.38 32.38 1nks s VAL 176 CO 0.08 0.28 0.83 0.21 0.00 0.00 0.00 175.10 176.49 1nks s ASN 177 N 0.77 6.30 0.00 3.32 2.47 -0.79 -4.51 114.94 122.52 1nks s ASN 177 Ca 0.28 -0.52 -0.30 0.00 0.42 0.00 0.00 52.86 52.73 1nks s ASN 177 Cb -0.16 -2.39 -0.06 0.00 -1.45 0.00 0.00 41.25 37.20 1nks s ASN 177 CO 0.11 -1.10 1.47 -0.69 -3.72 0.00 0.00 177.10 173.18 1nks s VAL 178 N 3.48 3.57 -0.24 -5.21 1.01 -1.26 -4.86 120.40 116.88 1nks s VAL 178 Ca 0.25 0.94 -0.41 0.00 0.00 0.00 0.00 61.98 62.76 1nks s VAL 178 Cb -0.15 -3.60 -0.17 0.00 0.00 0.00 0.00 36.38 32.46 1nks s VAL 178 CO 0.17 -0.01 1.61 1.21 0.00 0.00 0.00 175.10 178.08 1nks n GLU 179 N 5.62 0.87 -1.02 2.72 4.07 -1.26 -0.36 120.64 131.28 1nks n GLU 179 Ca 0.14 0.32 -0.01 0.00 -0.06 0.00 0.00 57.16 57.55 1nks n GLU 179 Cb 0.43 -1.95 -0.00 0.00 -0.06 0.00 0.00 31.44 29.86 1nks n GLU 179 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1nks n GLY 180 N 3.72 0.47 2.64 8.31 0.00 -1.26 -4.97 105.19 114.09 1nks n GLY 180 Ca 0.26 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 1nks n GLY 180 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nks n ASP 181 N 0.16 -2.42 0.05 1.61 2.03 0.51 -5.00 116.55 113.50 1nks n ASP 181 Ca -0.01 -3.02 0.21 0.00 0.52 0.00 0.00 54.79 52.50 1nks n ASP 181 Cb 0.10 1.24 0.66 0.00 -0.72 0.00 0.00 41.12 42.39 1nks n ASP 181 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1nks h PRO 182 N 4.45 0.00 0.00 -0.67 0.13 -1.94 -1.37 132.00 132.61 1nks h PRO 182 Ca -0.02 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.04 1nks h PRO 182 Cb 1.02 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 1nks h PRO 182 CO 0.26 0.00 -0.33 0.66 -0.23 0.00 0.00 178.00 178.36 1nks h SER 183 N 0.00 0.00 0.97 1.44 4.64 -1.94 -1.67 113.55 116.99 1nks h SER 183 Ca 0.24 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.52 1nks h SER 183 Cb 1.53 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.63 1nks h SER 183 CO -0.00 0.33 -0.48 0.40 -0.87 0.00 0.00 176.83 176.21 1nks h ILE 184 N 0.00 0.00 -0.83 0.95 2.04 -1.64 -0.66 117.51 117.38 1nks h ILE 184 Ca -0.00 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.94 1nks h ILE 184 Cb 0.73 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.74 1nks h ILE 184 CO 0.04 0.00 0.48 0.00 0.00 0.00 0.00 178.15 178.68 1nks h ALA 185 N -1.36 1.17 -0.93 1.87 0.00 -1.73 -0.90 119.26 117.38 1nks h ALA 185 Ca -0.13 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1nks h ALA 185 Cb 1.01 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 1nks h ALA 185 CO 0.21 0.14 0.57 0.00 0.00 0.00 0.00 179.25 180.17 1nks h ALA 186 N 1.44 1.18 -0.33 0.00 0.00 -1.18 0.15 119.26 120.53 1nks h ALA 186 Ca 0.39 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 55.04 1nks h ALA 186 Cb 0.31 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1nks h ALA 186 CO -0.23 0.63 -0.43 -0.91 0.00 0.00 0.00 179.25 178.31 1nks h ASN 187 N 1.28 0.94 -0.67 0.00 2.35 -0.39 0.27 115.58 119.35 1nks h ASN 187 Ca 0.34 -0.50 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 1nks h ASN 187 Cb -0.08 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 37.99 1nks h ASN 187 CO -0.07 1.25 0.42 -0.33 -1.65 0.00 0.00 177.43 177.06 1nks h GLU 188 N 0.66 0.90 -0.26 0.81 5.08 -0.82 0.25 114.58 121.20 1nks h GLU 188 Ca 0.04 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1nks h GLU 188 Cb 1.03 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1nks h GLU 188 CO 0.10 0.63 0.14 0.82 -1.00 0.00 0.00 179.01 179.70 1nks h ILE 189 N 0.91 1.01 -0.46 3.13 2.04 -0.50 -1.04 117.51 122.60 1nks h ILE 189 Ca 0.24 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.98 1nks h ILE 189 Cb -0.06 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1nks h ILE 189 CO -0.05 0.05 0.19 0.40 0.00 0.00 0.00 178.15 178.75 1nks h ILE 190 N 0.29 1.20 -0.39 -0.67 2.04 -0.24 -2.90 117.51 116.84 1nks h ILE 190 Ca 0.10 -0.61 0.02 0.00 1.00 0.00 0.00 64.86 65.38 1nks h ILE 190 Cb 0.02 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 1nks h ILE 190 CO -0.06 0.23 0.22 0.03 0.00 0.00 0.00 178.15 178.56 1nks h ARG 191 N 0.60 0.43 -0.07 2.37 3.08 -0.37 -2.08 114.38 118.34 1nks h ARG 191 Ca 0.15 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.20 1nks h ARG 191 Cb 0.17 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1nks h ARG 191 CO -0.01 0.28 0.10 0.77 -1.07 0.00 0.00 179.97 180.04 1nks h SER 192 N 0.44 0.00 1.21 7.04 0.02 -1.07 -1.71 113.55 119.47 1nks h SER 192 Ca 0.16 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.00 1nks h SER 192 Cb 0.02 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 1nks h SER 192 CO -0.08 0.00 -0.52 0.24 -1.14 0.00 0.00 176.83 175.32 1nks h MET 193 N 0.00 0.00 0.00 3.45 2.86 -1.17 -3.49 114.93 116.58 1nks h MET 193 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1nks h MET 193 Cb 0.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1nks h MET 193 CO -0.00 0.52 0.00 1.63 1.06 0.00 0.00 176.91 180.12