#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 4.58 -0.10 0.03 2.20 -0.70 -4.78 119.74 120.96 1nks s LYS 2 Ca 0.00 1.55 -0.05 0.00 -0.36 0.00 0.00 55.97 57.10 1nks s LYS 2 Cb 0.00 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.90 1nks s LYS 2 CO 0.00 0.00 0.11 0.42 -0.36 0.00 0.00 175.35 175.53 1nks s ILE 3 N 0.53 5.24 -0.04 5.43 1.01 -1.26 -1.02 121.20 131.08 1nks s ILE 3 Ca 0.51 0.07 0.02 0.00 0.00 0.00 0.00 60.65 61.26 1nks s ILE 3 Cb -0.25 -3.28 0.01 0.00 0.01 0.00 0.00 42.46 38.95 1nks s ILE 3 CO 0.30 0.59 -0.09 -0.83 0.00 0.00 0.00 174.94 174.91 1nks s GLY 4 N -1.08 0.61 -0.24 6.18 0.00 -0.50 -1.26 107.32 111.03 1nks s GLY 4 Ca 0.16 -0.30 -0.08 0.00 0.00 0.00 0.00 44.72 44.49 1nks s GLY 4 CO 0.05 0.10 0.11 -0.42 0.00 0.00 0.00 173.10 172.93 1nks s ILE 5 N 0.51 4.73 -0.32 0.90 1.01 0.38 -0.84 121.20 127.57 1nks s ILE 5 Ca -0.09 -0.03 -0.12 0.00 0.00 0.00 0.00 60.65 60.41 1nks s ILE 5 Cb -0.13 -3.21 -0.02 0.00 0.01 0.00 0.00 42.46 39.12 1nks s ILE 5 CO 0.02 0.34 0.21 -0.69 0.00 0.00 0.00 174.94 174.81 1nks s VAL 6 N 1.38 5.12 0.26 2.92 1.01 -0.04 0.86 120.40 131.91 1nks s VAL 6 Ca 0.06 -0.18 0.11 0.00 0.00 0.00 0.00 61.98 61.96 1nks s VAL 6 Cb -0.15 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1nks s VAL 6 CO 0.05 0.06 -0.18 0.42 0.00 0.00 0.00 175.10 175.46 1nks s THR 7 N 1.70 2.24 -0.13 3.92 -4.23 -0.39 -2.60 115.64 116.15 1nks s THR 7 Ca 0.06 -2.34 -0.30 0.00 -1.18 0.00 0.00 61.69 57.93 1nks s THR 7 Cb -0.17 -2.24 0.12 0.00 1.34 0.00 0.00 72.50 71.55 1nks s THR 7 CO 0.10 -0.45 0.99 -0.83 -0.54 0.00 0.00 174.62 173.88 1nks s GLY 8 N -3.46 -0.31 0.35 3.99 0.00 -1.26 -0.99 107.32 105.65 1nks s GLY 8 Ca 0.28 1.80 -0.09 0.00 0.00 0.00 0.00 44.72 46.71 1nks s GLY 8 CO 0.13 0.87 0.69 -0.26 0.00 0.00 0.00 173.10 174.52 1nks s ILE 9 N -1.58 4.85 0.09 0.90 -4.36 -1.26 -4.76 121.20 115.09 1nks s ILE 9 Ca 0.00 0.49 -0.36 0.00 -0.26 0.00 0.00 60.65 60.52 1nks s ILE 9 Cb -0.01 -3.71 -0.17 0.00 1.25 0.00 0.00 42.46 39.83 1nks s ILE 9 CO -0.01 -0.39 1.31 -2.65 0.24 0.00 0.00 174.94 173.44 1nks n PRO 10 N -1.00 1.11 0.00 0.37 -0.02 -1.26 -1.69 135.00 132.51 1nks n PRO 10 Ca 0.01 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1nks n PRO 10 Cb 0.54 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 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 2.42 2.18 0.22 -1.23 0.00 -1.26 -4.92 105.19 102.60 1nks n GLY 11 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 1nks n GLY 11 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1nks h VAL 12 N 0.00 0.71 0.00 1.61 -1.51 -1.69 -3.45 116.25 111.93 1nks h VAL 12 Ca 0.00 -1.03 0.00 0.00 -1.23 0.00 0.00 66.70 64.44 1nks h VAL 12 Cb 0.00 1.65 0.00 0.00 -2.13 0.00 0.00 31.29 30.81 1nks h VAL 12 CO 0.00 0.24 0.00 0.61 -1.23 0.00 0.00 177.57 177.19 1nks n GLY 13 N -0.19 1.72 0.31 5.19 0.00 -1.26 -4.89 105.19 106.06 1nks n GLY 13 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 1.00 -0.59 1.61 3.64 -1.89 -1.58 116.57 118.76 1nks h LYS 14 Ca 0.00 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.23 1nks h LYS 14 Cb 0.00 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 1nks h LYS 14 CO 0.00 0.66 0.03 0.66 -2.27 0.00 0.00 179.45 178.53 1nks h SER 15 N 1.04 1.00 -0.38 4.20 4.64 -1.99 -0.96 113.55 121.10 1nks h SER 15 Ca 0.32 -0.29 0.01 0.00 -0.47 0.00 0.00 61.79 61.35 1nks h SER 15 Cb -0.03 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.77 1nks h SER 15 CO -0.10 1.05 0.23 0.74 -0.87 0.00 0.00 176.83 177.88 1nks h THR 16 N 0.92 1.05 -0.63 2.95 2.02 -1.90 -0.99 112.91 116.32 1nks h THR 16 Ca 0.17 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 1nks h THR 16 Cb 0.52 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 1nks h THR 16 CO 0.02 0.09 0.38 0.58 0.37 0.00 0.00 175.52 176.96 1nks h VAL 17 N 0.47 1.19 -0.49 3.16 2.07 -1.03 -1.63 116.25 119.98 1nks h VAL 17 Ca 0.15 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1nks h VAL 17 Cb -0.01 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 1nks h VAL 17 CO -0.06 0.20 0.30 -0.07 0.02 0.00 0.00 177.57 177.95 1nks h LEU 18 N 0.86 0.59 -0.77 2.57 3.38 -0.85 0.76 115.31 121.85 1nks h LEU 18 Ca 0.23 -0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.27 1nks h LEU 18 Cb -0.01 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 40.51 1nks h LEU 18 CO -0.04 0.47 0.36 0.00 0.09 0.00 0.00 178.44 179.32 1nks h ALA 19 N 1.14 1.10 -0.31 1.53 0.00 -0.87 -0.99 119.26 120.87 1nks h ALA 19 Ca 0.18 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1nks h ALA 19 Cb -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1nks h ALA 19 CO -0.03 -0.11 -0.26 0.87 0.00 0.00 0.00 179.25 179.72 1nks h LYS 20 N 0.56 0.61 -0.54 0.00 1.79 -0.48 -1.88 116.57 116.63 1nks h LYS 20 Ca 0.40 -0.25 -0.03 0.00 -2.18 0.00 0.00 60.65 58.59 1nks h LYS 20 Cb 0.54 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 1nks h LYS 20 CO -0.34 0.82 0.22 0.28 -1.08 0.00 0.00 179.45 179.34 1nks h VAL 21 N 0.53 1.22 -0.02 0.50 2.07 0.08 -0.63 116.25 120.00 1nks h VAL 21 Ca 0.07 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 1nks h VAL 21 Cb 0.73 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1nks h VAL 21 CO 0.06 0.26 0.01 0.50 0.02 0.00 0.00 177.57 178.41 1nks h LYS 22 N 0.74 0.04 -0.11 1.57 3.64 -1.03 -1.14 116.57 120.28 1nks h LYS 22 Ca 0.18 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.60 1nks h LYS 22 Cb 0.20 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.95 1nks h LYS 22 CO -0.02 0.22 -0.25 1.49 -2.27 0.00 0.00 179.45 178.63 1nks h GLU 23 N -0.16 -0.32 -0.47 1.90 4.81 -1.30 0.87 114.58 119.91 1nks h GLU 23 Ca 0.01 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1nks h GLU 23 Cb 0.20 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1nks h GLU 23 CO -0.00 -0.21 0.23 0.82 -0.73 0.00 0.00 179.01 179.12 1nks h ILE 24 N -0.33 1.16 0.01 2.32 2.04 -1.04 -1.74 117.51 119.92 1nks h ILE 24 Ca 0.09 -0.44 -0.24 0.00 1.00 0.00 0.00 64.86 65.27 1nks h ILE 24 Cb 0.47 0.55 0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1nks h ILE 24 CO -0.30 0.18 -0.99 -0.07 0.00 0.00 0.00 178.15 176.97 1nks h LEU 25 N 0.66 0.66 -0.33 1.44 3.38 -0.20 -2.72 115.31 118.21 1nks h LEU 25 Ca 0.17 -0.53 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 1nks h LEU 25 Cb 0.06 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1nks h LEU 25 CO -0.02 1.34 0.19 0.44 0.09 0.00 0.00 178.44 180.47 1nks h ASP 26 N 0.28 0.40 -0.45 -0.43 3.32 -0.65 -0.03 116.42 118.86 1nks h ASP 26 Ca -0.10 -0.06 0.05 0.00 0.02 0.00 0.00 57.03 56.93 1nks h ASP 26 Cb 1.64 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 41.06 1nks h ASP 26 CO 0.18 0.35 0.30 0.78 -1.72 0.00 0.00 179.24 179.13 1nks h ASN 27 N 0.42 0.36 -0.22 6.45 2.35 -1.34 0.29 115.58 123.88 1nks h ASN 27 Ca 0.12 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1nks h ASN 27 Cb 0.03 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1nks h ASN 27 CO -0.02 0.24 0.00 0.00 -1.65 0.00 0.00 177.43 176.00 1nks n GLN 28 N -4.48 1.61 -3.79 0.81 6.02 -0.79 -4.90 117.38 111.86 1nks n GLN 28 Ca 0.06 -0.94 -0.25 0.00 -0.01 0.00 0.00 57.00 55.85 1nks n GLN 28 Cb 0.21 -1.27 0.03 0.00 1.02 0.00 0.00 30.24 30.23 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 0.98 -0.39 3.50 1.08 0.00 0.10 -4.98 105.19 105.48 1nks n GLY 29 Ca 0.12 0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.49 4.05 0.14 -0.61 1.01 -0.09 -5.01 121.20 117.19 1nks s ILE 30 Ca 0.32 -0.29 -0.32 0.00 0.00 0.00 0.00 60.65 60.36 1nks s ILE 30 Cb -0.16 -2.80 -0.12 0.00 0.01 0.00 0.00 42.46 39.39 1nks s ILE 30 CO 0.82 0.46 1.76 -3.20 0.00 0.00 0.00 174.94 174.78 1nks n ASN 31 N 3.81 3.83 -3.62 3.58 5.15 -1.26 -4.44 115.26 122.31 1nks n ASN 31 Ca -0.17 1.02 -0.16 0.00 -0.60 0.00 0.00 54.58 54.68 1nks n ASN 31 Cb 0.52 -1.52 -0.07 0.00 -0.53 0.00 0.00 39.78 38.18 1nks n ASN 31 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1nks s ASN 32 N 2.03 -0.50 -0.01 1.20 2.20 -1.26 -1.32 114.94 117.28 1nks s ASN 32 Ca 0.80 0.59 0.02 0.00 -0.94 0.00 0.00 52.86 53.33 1nks s ASN 32 Cb -0.54 0.58 -0.00 0.00 -2.00 0.00 0.00 41.25 39.29 1nks s ASN 32 CO 0.37 -0.49 -0.06 -0.75 -2.94 0.00 0.00 177.10 173.23 1nks s LYS 33 N -0.97 0.52 -0.27 3.55 2.20 -0.97 -5.00 119.74 118.80 1nks s LYS 33 Ca -0.10 -0.21 0.02 0.00 -0.36 0.00 0.00 55.97 55.33 1nks s LYS 33 Cb -0.02 -0.51 0.07 0.00 -1.51 0.00 0.00 37.83 35.85 1nks s LYS 33 CO 0.07 0.12 -0.06 0.42 -0.36 0.00 0.00 175.35 175.53 1nks s ILE 34 N -0.06 1.97 -0.24 5.43 1.01 -1.26 -1.62 121.20 126.44 1nks s ILE 34 Ca 0.01 -1.63 -0.09 0.00 0.00 0.00 0.00 60.65 58.94 1nks s ILE 34 Cb -0.03 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 1nks s ILE 34 CO -0.00 -0.16 0.12 -0.63 0.00 0.00 0.00 174.94 174.26 1nks s ILE 35 N 1.16 4.91 -0.52 2.92 1.01 -0.55 -4.98 121.20 125.16 1nks s ILE 35 Ca -0.04 0.03 -0.28 0.00 0.00 0.00 0.00 60.65 60.35 1nks s ILE 35 Cb -0.19 -3.29 0.03 0.00 0.01 0.00 0.00 42.46 39.02 1nks s ILE 35 CO -0.06 0.35 1.11 0.21 0.00 0.00 0.00 174.94 176.55 1nks s ASN 36 N 1.20 6.52 0.25 3.58 3.84 -1.26 -0.72 114.94 128.36 1nks s ASN 36 Ca 0.06 0.22 -0.02 0.00 0.21 0.00 0.00 52.86 53.33 1nks s ASN 36 Cb -0.14 -2.53 0.50 0.00 -0.55 0.00 0.00 41.25 38.53 1nks s ASN 36 CO 0.05 -1.31 1.74 0.22 -2.79 0.00 0.00 177.10 175.01 1nks h TYR 37 N 9.33 0.61 -0.67 0.43 3.20 -1.69 -1.36 116.97 126.82 1nks h TYR 37 Ca -0.24 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.62 1nks h TYR 37 Cb 1.06 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.15 1nks h TYR 37 CO 0.98 0.10 0.24 0.78 -1.64 0.00 0.00 178.16 178.62 1nks h GLY 38 N 0.50 1.10 1.08 1.82 0.00 -1.93 -1.73 103.07 103.93 1nks h GLY 38 Ca 0.44 -0.63 -0.11 0.00 0.00 0.00 0.00 47.33 47.04 1nks h GLY 38 CO -0.40 0.59 -0.08 -0.55 0.00 0.00 0.00 176.54 176.10 1nks h ASP 39 N 0.97 1.01 1.11 0.19 3.32 -1.73 -2.23 116.42 119.06 1nks h ASP 39 Ca 0.22 -0.34 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 1nks h ASP 39 Cb 0.26 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 1nks h ASP 39 CO -0.01 1.12 -0.14 0.15 -1.72 0.00 0.00 179.24 178.64 1nks h PHE 40 N 0.89 0.00 0.01 4.55 3.57 -1.11 -1.05 116.94 123.80 1nks h PHE 40 Ca 0.14 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.55 1nks h PHE 40 Cb 0.64 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.39 1nks h PHE 40 CO 0.05 0.14 -0.39 1.98 -2.23 0.00 0.00 178.31 177.86 1nks h MET 41 N 0.00 0.25 -0.53 1.11 4.05 -1.02 -1.47 114.93 117.32 1nks h MET 41 Ca -0.00 -0.28 0.02 0.00 -0.28 0.00 0.00 59.70 59.17 1nks h MET 41 Cb 0.73 0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 31.58 1nks h MET 41 CO 0.02 1.00 0.32 1.25 0.23 0.00 0.00 176.91 179.73 1nks h LEU 42 N -0.38 0.52 -1.16 3.39 5.85 -1.23 0.16 115.31 122.46 1nks h LEU 42 Ca -0.05 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.69 1nks h LEU 42 Cb 1.14 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.02 1nks h LEU 42 CO 0.08 0.36 0.57 0.00 -0.34 0.00 0.00 178.44 179.11 1nks h ALA 43 N 1.24 1.41 -0.32 1.25 0.00 -1.21 -0.10 119.26 121.52 1nks h ALA 43 Ca 0.21 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 1nks h ALA 43 Cb 0.02 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1nks h ALA 43 CO -0.10 0.53 -0.43 1.15 0.00 0.00 0.00 179.25 180.41 1nks h THR 44 N 1.14 1.28 -0.75 0.00 2.02 -0.09 -1.75 112.91 114.76 1nks h THR 44 Ca 0.33 -1.61 0.00 0.00 0.77 0.00 0.00 66.41 65.90 1nks h THR 44 Cb -0.08 1.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 1nks h THR 44 CO -0.08 0.53 0.47 0.00 0.37 0.00 0.00 175.52 176.81 1nks h ALA 45 N 0.71 0.96 0.19 6.16 0.00 -0.03 -1.61 119.26 125.64 1nks h ALA 45 Ca 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1nks h ALA 45 Cb 1.02 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1nks h ALA 45 CO 0.10 0.40 -0.09 -0.07 0.00 0.00 0.00 179.25 179.59 1nks h LEU 46 N 1.02 -0.22 -1.64 0.00 3.38 -0.92 -2.68 115.31 114.25 1nks h LEU 46 Ca 0.27 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1nks h LEU 46 Cb -0.07 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1nks h LEU 46 CO -0.05 0.14 0.27 0.11 0.09 0.00 0.00 178.44 178.99 1nks h LYS 47 N -0.60 0.46 -0.57 1.13 1.57 -1.16 -2.96 116.57 114.43 1nks h LYS 47 Ca -0.03 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.56 1nks h LYS 47 Cb 0.44 -0.10 -0.10 0.00 0.08 0.00 0.00 32.23 32.55 1nks h LYS 47 CO 0.04 0.31 0.16 1.28 -0.57 0.00 0.00 179.45 180.67 1nks n LEU 48 N -4.48 5.29 0.00 2.94 4.77 -0.62 -5.00 117.00 119.90 1nks n LEU 48 Ca 0.04 -3.28 0.00 0.00 -0.03 0.00 0.00 56.01 52.74 1nks n LEU 48 Cb 0.12 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 1nks n LEU 48 CO 0.35 0.86 0.00 0.61 -1.33 0.00 0.00 177.39 177.88 1nks n GLY 49 N -0.41 0.92 0.16 -0.72 0.00 -1.02 -4.88 105.19 99.23 1nks n GLY 49 Ca 0.36 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.54 1nks n GLY 49 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1nks n TYR 50 N 0.00 0.58 -3.59 1.61 4.02 -1.13 -4.69 117.16 113.97 1nks n TYR 50 Ca 0.00 0.60 -0.07 0.00 -0.01 0.00 0.00 57.90 58.42 1nks n TYR 50 Cb 0.00 -1.04 -0.02 0.00 -0.02 0.00 0.00 39.34 38.26 1nks n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1nks s ALA 51 N -4.79 -1.75 -0.33 -0.72 0.00 -1.20 -4.90 121.76 108.08 1nks s ALA 51 Ca -0.05 0.68 0.06 0.00 0.00 0.00 0.00 51.96 52.65 1nks s ALA 51 Cb 0.17 0.52 0.15 0.00 0.00 0.00 0.00 23.12 23.96 1nks s ALA 51 CO 0.39 -0.82 1.12 1.63 0.00 0.00 0.00 175.76 178.09 1nks n LYS 52 N -0.33 2.82 -3.58 0.00 5.02 -1.26 -3.67 118.16 117.16 1nks n LYS 52 Ca -0.08 -1.83 0.03 0.00 -2.02 0.00 0.00 58.31 54.40 1nks n LYS 52 Cb 0.62 -1.17 -0.00 0.00 -0.02 0.00 0.00 35.03 34.45 1nks n LYS 52 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1nks s ASP 53 N -1.19 -0.02 0.05 4.39 -4.77 -1.26 -5.04 116.67 108.82 1nks s ASP 53 Ca 0.12 -0.05 -0.29 0.00 -3.30 0.00 0.00 52.55 49.03 1nks s ASP 53 Cb 0.08 0.06 -0.17 0.00 -1.09 0.00 0.00 42.92 41.80 1nks s ASP 53 CO 0.06 -0.12 1.49 0.03 0.70 0.00 0.00 175.17 177.34 1nks h ARG 54 N 2.00 -0.59 -0.63 2.11 3.08 -1.98 -1.64 114.38 116.72 1nks h ARG 54 Ca -0.32 0.04 0.12 0.00 0.07 0.00 0.00 59.98 59.89 1nks h ARG 54 Cb 1.19 0.13 -0.09 0.00 0.08 0.00 0.00 29.97 31.29 1nks h ARG 54 CO 0.29 -0.33 0.14 -0.44 -1.07 0.00 0.00 179.97 178.56 1nks h ASP 55 N -0.74 0.02 -0.49 7.04 3.32 -1.98 0.53 116.42 124.12 1nks h ASP 55 Ca -0.06 0.12 0.08 0.00 0.02 0.00 0.00 57.03 57.18 1nks h ASP 55 Cb 0.53 0.16 -0.06 0.00 0.22 0.00 0.00 39.33 40.18 1nks h ASP 55 CO 0.10 0.01 0.13 -0.33 -1.72 0.00 0.00 179.24 177.42 1nks h GLU 56 N 0.27 0.27 -0.58 3.56 4.39 -1.93 -1.86 114.58 118.70 1nks h GLU 56 Ca 0.34 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.95 1nks h GLU 56 Cb 0.51 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 1nks h GLU 56 CO -0.42 0.18 0.06 1.98 -1.16 0.00 0.00 179.01 179.65 1nks h MET 57 N 0.27 0.96 -0.07 2.33 4.05 0.62 -3.15 114.93 119.94 1nks h MET 57 Ca 0.24 -0.25 -0.13 0.00 -0.28 0.00 0.00 59.70 59.28 1nks h MET 57 Cb 0.30 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.97 1nks h MET 57 CO -0.29 0.90 -0.53 0.00 0.23 0.00 0.00 176.91 177.22 1nks h ARG 58 N 0.90 0.21 -1.96 0.39 3.08 0.21 -3.22 114.38 113.98 1nks h ARG 58 Ca 0.18 -0.12 -0.54 0.00 0.07 0.00 0.00 59.98 59.56 1nks h ARG 58 Cb 0.43 0.01 -0.19 0.00 0.08 0.00 0.00 29.97 30.30 1nks h ARG 58 CO 0.01 0.69 0.52 1.63 -1.07 0.00 0.00 179.97 181.76 1nks n LYS 59 N -3.92 2.44 -4.27 0.04 5.02 -0.73 -4.95 118.16 111.78 1nks n LYS 59 Ca -0.02 -2.54 -0.29 0.00 -2.02 0.00 0.00 58.31 53.44 1nks n LYS 59 Cb 0.56 -2.15 -0.10 0.00 -0.02 0.00 0.00 35.03 33.32 1nks n LYS 59 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1nks s LEU 60 N -2.54 2.86 0.23 -0.35 2.96 -1.22 -4.99 118.68 115.64 1nks s LEU 60 Ca 0.57 -0.51 -0.32 0.00 -0.22 0.00 0.00 54.13 53.65 1nks s LEU 60 Cb 0.39 -1.66 -0.14 0.00 0.50 0.00 0.00 46.19 45.28 1nks s LEU 60 CO -0.25 0.16 1.36 -1.54 -1.32 0.00 0.00 176.35 174.77 1nks n SER 61 N 0.63 2.47 -0.33 3.68 3.41 -1.26 -4.73 113.62 117.48 1nks n SER 61 Ca -0.14 1.14 0.22 0.00 -0.26 0.00 0.00 58.87 59.83 1nks n SER 61 Cb 0.53 -1.38 0.45 0.00 -0.26 0.00 0.00 64.21 63.54 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 2.98 0.34 0.00 -3.33 2.07 -1.98 0.49 116.25 116.81 1nks h VAL 62 Ca -0.45 -0.12 -0.09 0.00 0.82 0.00 0.00 66.70 66.85 1nks h VAL 62 Cb 1.29 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1nks h VAL 62 CO 0.75 0.07 -0.45 -0.33 0.02 0.00 0.00 177.57 177.62 1nks h GLU 63 N 0.36 0.00 -0.03 1.57 3.07 -2.00 -2.18 114.58 115.38 1nks h GLU 63 Ca 0.71 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 59.45 1nks h GLU 63 Cb 1.56 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.48 1nks h GLU 63 CO -0.59 0.45 -0.44 0.87 -1.40 0.00 0.00 179.01 177.90 1nks h LYS 64 N 0.00 0.36 -0.30 2.33 1.79 -0.42 -3.02 116.57 117.31 1nks h LYS 64 Ca -0.00 -0.34 0.06 0.00 -2.18 0.00 0.00 60.65 58.18 1nks h LYS 64 Cb 0.81 0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 31.49 1nks h LYS 64 CO 0.06 1.01 -0.08 1.96 -1.08 0.00 0.00 179.45 181.32 1nks h GLN 65 N -0.17 -0.00 -0.28 3.15 1.08 -1.17 -0.44 115.11 117.27 1nks h GLN 65 Ca -0.05 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.17 1nks h GLN 65 Cb 1.14 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.56 1nks h GLN 65 CO 0.09 -0.00 0.19 -0.22 -0.95 0.00 0.00 178.83 177.94 1nks h LYS 66 N -0.00 0.30 -0.09 1.46 3.64 -1.46 0.50 116.57 120.91 1nks h LYS 66 Ca 0.14 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.42 1nks h LYS 66 Cb 0.22 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1nks h LYS 66 CO -0.31 0.20 -0.28 0.87 -2.27 0.00 0.00 179.45 177.65 1nks h LYS 67 N 0.31 0.35 -0.98 1.90 1.79 -1.02 -2.79 116.57 116.13 1nks h LYS 67 Ca 0.11 -0.26 0.04 0.00 -2.18 0.00 0.00 60.65 58.37 1nks h LYS 67 Cb 0.07 0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 30.71 1nks h LYS 67 CO -0.02 0.88 0.64 1.25 -1.08 0.00 0.00 179.45 181.12 1nks h LEU 68 N -0.12 1.06 -0.66 2.94 5.85 -0.54 0.39 115.31 124.23 1nks h LEU 68 Ca -0.01 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.59 1nks h LEU 68 Cb 0.91 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1nks h LEU 68 CO 0.06 0.72 -0.19 1.56 -0.34 0.00 0.00 178.44 180.25 1nks h GLN 69 N 1.22 0.84 -0.68 1.25 4.20 -0.93 -1.48 115.11 119.54 1nks h GLN 69 Ca 0.39 -0.33 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 1nks h GLN 69 Cb 0.03 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 1nks h GLN 69 CO -0.13 0.96 0.21 0.82 -0.67 0.00 0.00 178.83 180.03 1nks h ILE 70 N 0.74 1.25 -0.34 2.54 2.04 -1.03 -0.38 117.51 122.32 1nks h ILE 70 Ca 0.11 -0.87 -0.14 0.00 1.00 0.00 0.00 64.86 64.95 1nks h ILE 70 Cb 0.72 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1nks h ILE 70 CO 0.06 0.34 -0.35 0.44 0.00 0.00 0.00 178.15 178.64 1nks h ASP 71 N 0.99 0.90 -0.09 1.72 3.32 -0.75 -0.06 116.42 122.45 1nks h ASP 71 Ca 0.22 -0.47 0.01 0.00 0.02 0.00 0.00 57.03 56.80 1nks h ASP 71 Cb 0.30 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1nks h ASP 71 CO -0.01 1.19 0.04 0.00 -1.72 0.00 0.00 179.24 178.74 1nks h ALA 72 N 0.74 0.11 -0.41 3.45 0.00 -1.21 0.29 119.26 122.23 1nks h ALA 72 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1nks h ALA 72 Cb 0.93 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 1nks h ALA 72 CO 0.09 -0.41 0.07 0.00 0.00 0.00 0.00 179.25 178.99 1nks h ALA 73 N 1.05 0.44 -0.74 0.00 0.00 -0.95 0.31 119.26 119.35 1nks h ALA 73 Ca 0.04 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1nks h ALA 73 Cb 0.01 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1nks h ALA 73 CO -0.03 -0.33 0.45 0.87 0.00 0.00 0.00 179.25 180.21 1nks h LYS 74 N 0.19 1.01 -0.11 0.00 1.57 -0.42 -2.02 116.57 116.80 1nks h LYS 74 Ca 0.20 -0.09 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1nks h LYS 74 Cb 0.25 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1nks h LYS 74 CO -0.28 0.71 0.00 0.78 -0.57 0.00 0.00 179.45 180.10 1nks h GLY 75 N 1.02 0.10 0.84 3.86 0.00 0.99 -2.05 103.07 107.83 1nks h GLY 75 Ca 0.27 0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.64 1nks h GLY 75 CO -0.05 -0.02 0.30 -2.22 0.00 0.00 0.00 176.54 174.55 1nks h ILE 76 N 0.04 1.03 -0.11 2.60 2.04 -0.28 -0.77 117.51 122.05 1nks h ILE 76 Ca 0.05 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.74 1nks h ILE 76 Cb 0.06 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1nks h ILE 76 CO -0.08 0.11 0.09 0.00 0.00 0.00 0.00 178.15 178.26 1nks h ALA 77 N 1.24 2.00 0.20 1.87 0.00 -0.91 -1.11 119.26 122.54 1nks h ALA 77 Ca 0.21 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1nks h ALA 77 Cb 0.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1nks h ALA 77 CO -0.11 -0.14 -0.09 1.49 0.00 0.00 0.00 179.25 180.40 1nks h GLU 78 N 0.00 -0.25 -0.83 0.00 4.81 -0.50 -2.30 114.58 115.51 1nks h GLU 78 Ca 0.05 0.02 0.19 0.00 -0.13 0.00 0.00 59.36 59.49 1nks h GLU 78 Cb 0.22 0.06 -0.15 0.00 0.63 0.00 0.00 28.75 29.51 1nks h GLU 78 CO -0.00 0.13 -0.02 0.93 -0.73 0.00 0.00 179.01 179.32 1nks h GLU 79 N -0.74 0.07 -0.68 1.92 4.39 -0.73 0.30 114.58 119.10 1nks h GLU 79 Ca -0.03 -0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.60 1nks h GLU 79 Cb 0.50 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 1nks h GLU 79 CO 0.04 0.04 0.17 0.00 -1.16 0.00 0.00 179.01 178.11 1nks h ALA 80 N 1.79 0.90 -0.13 3.43 0.00 -1.17 -2.15 119.26 121.93 1nks h ALA 80 Ca 0.46 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1nks h ALA 80 Cb 0.83 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1nks h ALA 80 CO -0.76 0.62 -0.46 -0.09 0.00 0.00 0.00 179.25 178.56 1nks h ARG 81 N 1.02 0.33 0.01 0.00 2.43 0.08 -1.49 114.38 116.76 1nks h ARG 81 Ca 0.21 -0.17 -0.19 0.00 -0.81 0.00 0.00 59.98 59.02 1nks h ARG 81 Cb 0.36 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1nks h ARG 81 CO 0.00 0.72 -0.88 0.00 -1.51 0.00 0.00 179.97 178.30 1nks h ALA 82 N 1.26 0.54 0.00 2.80 0.00 -0.92 -3.33 119.26 119.61 1nks h ALA 82 Ca 0.02 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1nks h ALA 82 Cb 0.91 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1nks h ALA 82 CO 0.08 1.04 0.00 0.41 0.00 0.00 0.00 179.25 180.78 1nks n GLY 83 N 0.97 -1.06 7.00 0.00 0.00 -0.82 -5.00 105.19 106.29 1nks n GLY 83 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.68 2.95 3.78 -0.02 0.00 -1.25 -4.70 105.19 106.63 1nks n GLY 84 Ca 0.11 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 1nks n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nks s GLU 85 N 0.00 4.00 0.00 1.61 0.41 -1.26 0.84 118.70 124.30 1nks s GLU 85 Ca 0.00 1.62 0.00 0.00 -0.41 0.00 0.00 54.97 56.18 1nks s GLU 85 Cb 0.00 -2.48 0.00 0.00 -1.78 0.00 0.00 34.13 29.87 1nks s GLU 85 CO 0.00 -0.31 0.00 0.41 -0.49 0.00 0.00 175.26 174.87 1nks n GLY 86 N 0.37 0.94 2.91 -1.39 0.00 -1.26 -4.65 105.19 102.11 1nks n GLY 86 Ca 0.06 -1.93 -0.24 0.00 0.00 0.00 0.00 46.02 43.91 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 -2.39 1.16 -0.16 1.61 2.02 -0.44 -1.73 117.35 117.42 1nks s TYR 87 Ca 0.00 -0.46 -0.01 0.00 -0.37 0.00 0.00 57.07 56.23 1nks s TYR 87 Cb 0.00 -0.98 -0.01 0.00 -0.40 0.00 0.00 41.96 40.57 1nks s TYR 87 CO 0.00 -0.34 -0.10 -1.17 -1.57 0.00 0.00 175.55 172.36 1nks s LEU 88 N 1.30 2.75 -0.11 -1.29 2.96 -0.19 -2.30 118.68 121.80 1nks s LEU 88 Ca -0.04 -0.37 -0.00 0.00 -0.22 0.00 0.00 54.13 53.50 1nks s LEU 88 Cb -0.14 -1.65 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 1nks s LEU 88 CO -0.03 0.09 -0.09 -0.36 -1.32 0.00 0.00 176.35 174.65 1nks s PHE 89 N 0.78 2.89 -0.19 5.38 0.40 -0.64 -1.40 117.98 125.20 1nks s PHE 89 Ca -0.04 -0.28 -0.07 0.00 -0.60 0.00 0.00 56.93 55.94 1nks s PHE 89 Cb -0.15 -1.81 -0.04 0.00 0.51 0.00 0.00 43.02 41.54 1nks s PHE 89 CO 0.01 0.06 0.04 0.42 0.70 0.00 0.00 175.22 176.45 1nks s ILE 90 N -0.14 4.51 -0.50 0.64 1.01 -0.02 -1.48 121.20 125.22 1nks s ILE 90 Ca 0.01 -0.13 -0.18 0.00 0.00 0.00 0.00 60.65 60.35 1nks s ILE 90 Cb -0.13 -3.04 0.06 0.00 0.01 0.00 0.00 42.46 39.37 1nks s ILE 90 CO 0.03 0.45 0.59 -0.62 0.00 0.00 0.00 174.94 175.38 1nks s ASP 91 N 0.58 6.21 0.00 3.58 2.15 0.10 -0.86 116.67 128.43 1nks s ASP 91 Ca 0.02 -1.01 0.00 0.00 0.43 0.00 0.00 52.55 51.99 1nks s ASP 91 Cb -0.13 -2.27 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 1nks s ASP 91 CO 0.02 -0.86 0.00 1.07 -0.17 0.00 0.00 175.17 175.23 1nks n THR 92 N 5.54 0.00 -4.57 1.71 5.66 -1.07 -1.70 114.28 119.85 1nks n THR 92 Ca -0.08 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.61 1nks n THR 92 Cb 0.45 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.11 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 -4.85 2.64 -0.07 1.09 3.76 -1.26 -4.04 115.29 112.55 1nks s HIS 93 Ca 0.00 -0.21 -0.16 0.00 -0.15 0.00 0.00 55.06 54.54 1nks s HIS 93 Cb 0.00 -1.49 -0.29 0.00 1.11 0.00 0.00 32.58 31.91 1nks s HIS 93 CO 0.00 0.29 0.68 0.00 -0.85 0.00 0.00 174.74 174.86 1nks h ALA 94 N 4.44 0.09 -3.29 -1.40 0.00 -1.91 -3.31 119.26 113.87 1nks h ALA 94 Ca -0.48 -1.00 -0.24 0.00 0.00 0.00 0.00 54.91 53.19 1nks h ALA 94 Cb 1.16 0.37 -0.23 0.00 0.00 0.00 0.00 17.79 19.09 1nks h ALA 94 CO 0.49 0.76 -0.72 0.14 0.00 0.00 0.00 179.25 179.91 1nks s VAL 95 N -2.49 0.32 -0.26 0.00 -7.23 -1.26 -0.26 120.40 109.22 1nks s VAL 95 Ca -0.17 -0.77 -0.05 0.00 -1.81 0.00 0.00 61.98 59.18 1nks s VAL 95 Cb 0.04 -0.39 0.00 0.00 0.56 0.00 0.00 36.38 36.59 1nks s VAL 95 CO 0.81 -0.30 0.01 -0.63 -0.31 0.00 0.00 175.10 174.68 1nks s ILE 96 N -1.05 3.58 -0.08 -0.62 1.01 -0.02 -4.85 121.20 119.17 1nks s ILE 96 Ca -0.09 -0.64 -0.30 0.00 0.00 0.00 0.00 60.65 59.62 1nks s ILE 96 Cb -0.08 -2.75 -0.03 0.00 0.01 0.00 0.00 42.46 39.61 1nks s ILE 96 CO -0.00 0.24 1.28 -0.13 0.00 0.00 0.00 174.94 176.34 1nks s ARG 97 N 1.47 4.29 0.27 2.79 0.52 -1.26 -1.78 118.95 125.25 1nks s ARG 97 Ca 0.04 1.75 0.08 0.00 -0.52 0.00 0.00 55.73 57.07 1nks s ARG 97 Cb -0.16 -3.65 -0.06 0.00 0.52 0.00 0.00 34.95 31.61 1nks s ARG 97 CO -0.01 -0.58 -0.09 0.95 0.02 0.00 0.00 175.30 175.59 1nks s THR 98 N 2.75 1.81 0.32 0.02 -4.23 -0.36 -5.00 115.64 110.96 1nks s THR 98 Ca 0.58 -2.18 0.01 0.00 -1.18 0.00 0.00 61.69 58.92 1nks s THR 98 Cb -0.25 -2.37 0.23 0.00 1.34 0.00 0.00 72.50 71.44 1nks s THR 98 CO 0.21 -0.36 1.95 -0.65 -0.54 0.00 0.00 174.62 175.23 1nks h PRO 99 N 2.31 0.85 0.00 3.99 0.11 -2.03 0.54 132.00 137.76 1nks h PRO 99 Ca -0.40 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1nks h PRO 99 Cb 1.24 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1nks h PRO 99 CO 0.66 0.62 0.00 0.45 -0.21 0.00 0.00 178.00 179.52 1nks n SER 100 N -4.38 0.00 0.00 -2.05 2.88 -1.26 -5.00 113.62 103.81 1nks n SER 100 Ca 0.06 -0.77 0.00 0.00 -1.33 0.00 0.00 58.87 56.82 1nks n SER 100 Cb 0.10 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1nks n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1nks n GLY 101 N 0.40 -0.10 3.69 0.46 0.00 0.18 -5.01 105.19 104.80 1nks n GLY 101 Ca 0.15 -2.27 -0.42 0.00 0.00 0.00 0.00 46.02 43.48 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 -0.22 3.19 -0.23 1.61 2.02 -1.26 -1.23 117.35 121.23 1nks s TYR 102 Ca 0.00 1.21 -0.06 0.00 -0.37 0.00 0.00 57.07 57.86 1nks s TYR 102 Cb 0.00 -3.42 -0.02 0.00 -0.40 0.00 0.00 41.96 38.12 1nks s TYR 102 CO 0.00 -1.31 0.01 -1.17 -1.57 0.00 0.00 175.55 171.51 1nks s LEU 103 N 2.21 3.17 0.27 -1.29 2.96 -0.74 -4.91 118.68 120.35 1nks s LEU 103 Ca 0.56 -0.30 -0.30 0.00 -0.22 0.00 0.00 54.13 53.87 1nks s LEU 103 Cb -0.25 -1.83 -0.11 0.00 0.50 0.00 0.00 46.19 44.50 1nks s LEU 103 CO 0.22 -0.02 1.58 -2.16 -1.32 0.00 0.00 176.35 174.64 1nks s PRO 104 N 1.53 4.16 0.30 0.98 0.04 -1.26 -0.84 135.00 139.91 1nks s PRO 104 Ca 0.06 2.51 0.20 0.00 0.04 0.00 0.00 61.00 63.81 1nks s PRO 104 Cb -0.15 -3.06 0.14 0.00 0.04 0.00 0.00 34.50 31.48 1nks s PRO 104 CO 0.00 -0.60 1.37 0.78 0.04 0.00 0.00 177.00 178.59 1nks h GLY 105 N 5.25 0.00 -5.88 0.56 0.00 -0.72 -3.39 103.07 98.89 1nks h GLY 105 Ca -0.46 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.29 1nks h GLY 105 CO 0.82 0.00 -0.77 1.04 0.00 0.00 0.00 176.54 177.63 1nks n LEU 106 N -3.05 2.99 -4.73 3.11 4.77 -1.26 -4.90 117.00 113.93 1nks n LEU 106 Ca 0.01 -5.33 -0.31 0.00 -0.03 0.00 0.00 56.01 50.35 1nks n LEU 106 Cb 0.64 -0.24 0.12 0.00 -2.33 0.00 0.00 43.42 41.60 1nks n LEU 106 CO 0.38 2.17 0.70 -2.16 -1.33 0.00 0.00 177.39 177.15 1nks s PRO 107 N -2.52 1.81 0.30 3.23 0.04 -1.26 -4.38 135.00 132.22 1nks s PRO 107 Ca 0.42 1.33 0.05 0.00 0.04 0.00 0.00 61.00 62.83 1nks s PRO 107 Cb 0.21 -1.83 0.80 0.00 0.04 0.00 0.00 34.50 33.72 1nks s PRO 107 CO -0.07 -2.00 1.63 0.66 0.04 0.00 0.00 177.00 177.25 1nks h SER 108 N -1.36 -0.01 1.06 6.66 4.64 -1.98 0.21 113.55 122.78 1nks h SER 108 Ca -0.43 0.22 -0.02 0.00 -0.47 0.00 0.00 61.79 61.08 1nks h SER 108 Cb 1.25 0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 63.62 1nks h SER 108 CO 0.48 -0.21 -0.11 0.10 -0.87 0.00 0.00 176.83 176.22 1nks h TYR 109 N 0.17 0.00 0.00 4.77 -0.00 -2.00 -2.75 116.97 117.16 1nks h TYR 109 Ca 0.60 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 59.26 1nks h TYR 109 Cb 1.28 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.00 1nks h TYR 109 CO -0.26 0.11 -0.51 0.28 -0.00 0.00 0.00 178.16 177.78 1nks h VAL 110 N 0.00 0.66 -0.86 -0.90 2.07 -1.37 -3.37 116.25 112.48 1nks h VAL 110 Ca -0.00 -1.64 0.05 0.00 0.82 0.00 0.00 66.70 65.92 1nks h VAL 110 Cb 0.67 1.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 1nks h VAL 110 CO 0.01 0.22 0.56 -0.29 0.02 0.00 0.00 177.57 178.10 1nks h ILE 111 N -1.00 1.11 0.00 4.57 6.09 -1.10 -1.19 117.51 125.98 1nks h ILE 111 Ca -0.10 -0.35 0.00 0.00 -1.37 0.00 0.00 64.86 63.04 1nks h ILE 111 Cb 0.74 -0.00 0.00 0.00 0.47 0.00 0.00 36.82 38.03 1nks h ILE 111 CO -0.06 0.19 0.00 0.35 -3.07 0.00 0.00 178.15 175.55 1nks n THR 112 N -4.46 0.30 0.05 2.19 -2.24 -1.04 -1.25 114.28 107.83 1nks n THR 112 Ca 0.12 -0.02 -0.22 0.00 -2.27 0.00 0.00 64.05 61.67 1nks n THR 112 Cb 0.15 -0.62 -0.15 0.00 -2.10 0.00 0.00 70.33 67.62 1nks n THR 112 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1nks h GLU 113 N 0.00 0.33 -0.01 -0.78 4.39 -1.40 -3.37 114.58 113.74 1nks h GLU 113 Ca 0.00 -0.56 -0.26 0.00 0.34 0.00 0.00 59.36 58.88 1nks h GLU 113 Cb 0.51 0.21 0.02 0.00 -0.10 0.00 0.00 28.75 29.39 1nks h GLU 113 CO 0.00 1.27 -1.03 0.82 -1.16 0.00 0.00 179.01 178.91 1nks h ILE 114 N -0.20 1.28 -6.30 3.13 2.04 -1.23 -3.45 117.51 112.78 1nks h ILE 114 Ca -0.26 -2.24 -0.43 0.00 1.00 0.00 0.00 64.86 62.94 1nks h ILE 114 Cb 1.84 2.36 0.06 0.00 -0.74 0.00 0.00 36.82 40.34 1nks h ILE 114 CO 0.14 0.69 -0.91 0.59 0.00 0.00 0.00 178.15 178.66 1nks n ASN 115 N -3.86 -5.32 -4.82 1.72 3.02 -0.38 -4.86 115.26 100.76 1nks n ASN 115 Ca -0.11 -0.99 -0.31 0.00 -0.03 0.00 0.00 54.58 53.14 1nks n ASN 115 Cb 0.88 -3.16 0.06 0.00 -0.61 0.00 0.00 39.78 36.94 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 -5.89 2.76 -0.05 3.52 0.04 -1.26 -4.86 135.00 129.25 1nks s PRO 116 Ca 0.42 0.90 -0.20 0.00 0.04 0.00 0.00 61.00 62.16 1nks s PRO 116 Cb -0.16 -1.97 -0.31 0.00 0.04 0.00 0.00 34.50 32.10 1nks s PRO 116 CO 0.87 -1.21 0.83 0.77 0.04 0.00 0.00 177.00 178.30 1nks h SER 117 N -0.80 0.47 -4.31 6.66 0.02 -1.56 -3.40 113.55 110.63 1nks h SER 117 Ca -0.44 -0.93 -0.29 0.00 -0.84 0.00 0.00 61.79 59.28 1nks h SER 117 Cb 1.22 -0.15 -0.25 0.00 0.14 0.00 0.00 62.40 63.36 1nks h SER 117 CO 0.57 1.45 -0.74 -0.69 -1.14 0.00 0.00 176.83 176.28 1nks s VAL 118 N -2.45 0.44 -0.23 2.27 1.01 -1.22 -1.14 120.40 119.09 1nks s VAL 118 Ca -0.15 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 1nks s VAL 118 Cb 0.02 -0.45 0.02 0.00 0.00 0.00 0.00 36.38 35.97 1nks s VAL 118 CO 0.82 -0.12 -0.09 -0.63 0.00 0.00 0.00 175.10 175.08 1nks s ILE 119 N -0.71 2.68 -0.04 2.22 1.01 -0.48 -0.47 121.20 125.42 1nks s ILE 119 Ca -0.04 -1.02 -0.07 0.00 0.00 0.00 0.00 60.65 59.52 1nks s ILE 119 Cb -0.06 -2.33 -0.05 0.00 0.01 0.00 0.00 42.46 40.04 1nks s ILE 119 CO 0.00 0.27 0.24 -0.36 0.00 0.00 0.00 174.94 175.08 1nks s PHE 120 N 1.31 3.60 -0.26 3.97 0.08 0.25 -1.52 117.98 125.41 1nks s PHE 120 Ca 0.01 0.60 0.02 0.00 0.12 0.00 0.00 56.93 57.68 1nks s PHE 120 Cb -0.16 -2.00 0.05 0.00 -0.57 0.00 0.00 43.02 40.35 1nks s PHE 120 CO -0.06 0.66 -0.11 -0.51 -0.10 0.00 0.00 175.22 175.10 1nks s LEU 121 N -1.44 3.37 -0.23 -0.37 1.43 0.32 -1.27 118.68 120.49 1nks s LEU 121 Ca 0.23 -1.31 -0.22 0.00 -1.03 0.00 0.00 54.13 51.80 1nks s LEU 121 Cb -0.13 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 1nks s LEU 121 CO 0.12 -0.18 0.72 -0.76 0.23 0.00 0.00 176.35 176.48 1nks s LEU 122 N 1.14 4.10 0.14 1.79 1.02 -0.16 -0.65 118.68 126.06 1nks s LEU 122 Ca -0.07 0.89 0.05 0.00 0.02 0.00 0.00 54.13 55.02 1nks s LEU 122 Cb -0.19 -3.01 -0.04 0.00 0.02 0.00 0.00 46.19 42.97 1nks s LEU 122 CO -0.05 -0.40 -0.11 -1.61 0.02 0.00 0.00 176.35 174.20 1nks s GLU 123 N 2.43 1.03 0.32 1.70 2.02 0.24 -4.17 118.70 122.27 1nks s GLU 123 Ca 0.31 -1.36 -0.01 0.00 0.02 0.00 0.00 54.97 53.93 1nks s GLU 123 Cb -0.16 -0.70 -0.01 0.00 0.10 0.00 0.00 34.13 33.37 1nks s GLU 123 CO 0.09 0.10 0.40 0.00 0.02 0.00 0.00 175.26 175.87 1nks s ALA 124 N -2.89 0.98 0.16 5.21 0.00 -1.26 -1.16 121.76 122.79 1nks s ALA 124 Ca 0.13 -1.61 -0.31 0.00 0.00 0.00 0.00 51.96 50.17 1nks s ALA 124 Cb -0.00 1.25 -0.09 0.00 0.00 0.00 0.00 23.12 24.28 1nks s ALA 124 CO 0.01 -0.75 1.39 0.34 0.00 0.00 0.00 175.76 176.75 1nks s ASP 125 N -3.24 6.81 0.47 0.00 -1.08 -1.26 -4.90 116.67 113.45 1nks s ASP 125 Ca 0.33 2.42 0.25 0.00 -0.52 0.00 0.00 52.55 55.02 1nks s ASP 125 Cb 0.01 -2.60 1.27 0.00 -1.46 0.00 0.00 42.92 40.14 1nks s ASP 125 CO 0.20 -0.63 1.84 -0.65 0.52 0.00 0.00 175.17 176.45 1nks h PRO 126 N 6.12 0.22 0.39 4.34 0.11 -1.98 -0.06 132.00 141.14 1nks h PRO 126 Ca -0.43 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1nks h PRO 126 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1nks h PRO 126 CO 0.83 0.15 -0.19 0.87 -0.21 0.00 0.00 178.00 179.44 1nks h LYS 127 N 0.23 -0.51 -0.77 1.05 1.57 -1.97 -2.11 116.57 114.06 1nks h LYS 127 Ca 0.50 0.03 0.19 0.00 -1.87 0.00 0.00 60.65 59.51 1nks h LYS 127 Cb 1.57 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.95 1nks h LYS 127 CO -0.13 -0.22 0.53 0.82 -0.57 0.00 0.00 179.45 179.88 1nks h ILE 128 N -0.79 0.69 0.00 1.86 2.04 -1.42 -0.13 117.51 119.76 1nks h ILE 128 Ca -0.05 -0.07 -0.15 0.00 1.00 0.00 0.00 64.86 65.59 1nks h ILE 128 Cb 0.53 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1nks h ILE 128 CO 0.09 0.04 -0.71 0.40 0.00 0.00 0.00 178.15 177.97 1nks h ILE 129 N 0.20 1.36 -0.03 -0.67 2.04 -1.11 -2.90 117.51 116.39 1nks h ILE 129 Ca 0.38 -2.55 -0.22 0.00 1.00 0.00 0.00 64.86 63.47 1nks h ILE 129 Cb 1.20 2.43 0.00 0.00 -0.74 0.00 0.00 36.82 39.71 1nks h ILE 129 CO -0.07 0.69 -0.88 -0.07 0.00 0.00 0.00 178.15 177.81 1nks h LEU 130 N 0.00 0.56 -0.89 1.44 3.38 -0.36 -3.10 115.31 116.34 1nks h LEU 130 Ca -0.01 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.48 1nks h LEU 130 Cb 1.38 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 1nks h LEU 130 CO 0.09 1.21 0.11 0.77 0.09 0.00 0.00 178.44 180.71 1nks h SER 131 N 0.27 0.88 0.00 -0.43 4.64 -1.29 -2.28 113.55 115.33 1nks h SER 131 Ca -0.07 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1nks h SER 131 Cb 1.50 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1nks h SER 131 CO 0.16 0.87 0.00 0.54 -0.87 0.00 0.00 176.83 177.53 1nks n ARG 132 N -4.24 0.93 -0.13 4.77 1.74 -1.10 -1.73 116.66 116.90 1nks n ARG 132 Ca 0.04 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.87 1nks n ARG 132 Cb 0.26 -1.28 -0.11 0.00 -1.02 0.00 0.00 32.46 30.31 1nks n ARG 132 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1nks n GLN 133 N -0.17 0.61 0.01 5.56 1.13 -0.86 -4.33 117.38 119.34 1nks n GLN 133 Ca 0.00 0.22 0.09 0.00 -1.94 0.00 0.00 57.00 55.38 1nks n GLN 133 Cb 0.14 -1.51 -0.13 0.00 0.11 0.00 0.00 30.24 28.86 1nks n GLN 133 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1nks n LYS 134 N -3.86 0.65 -0.10 -1.09 5.02 -1.19 -4.29 118.16 113.30 1nks n LYS 134 Ca -0.51 -0.10 -0.13 0.00 -2.02 0.00 0.00 58.31 55.55 1nks n LYS 134 Cb 0.93 -1.60 -0.01 0.00 -0.02 0.00 0.00 35.03 34.32 1nks n LYS 134 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1nks h ARG 135 N 0.00 0.89 -3.99 1.97 2.43 -1.59 -3.39 114.38 110.70 1nks h ARG 135 Ca -0.04 -0.49 -0.61 0.00 -0.81 0.00 0.00 59.98 58.03 1nks h ARG 135 Cb 1.10 0.03 -0.40 0.00 -0.42 0.00 0.00 29.97 30.28 1nks h ARG 135 CO 0.00 1.13 -0.75 0.34 -1.51 0.00 0.00 179.97 179.19 1nks s ASP 136 N -6.87 4.22 -0.56 -3.80 2.15 -1.26 -5.01 116.67 105.54 1nks s ASP 136 Ca -0.11 -1.74 -0.03 0.00 0.43 0.00 0.00 52.55 51.11 1nks s ASP 136 Cb 0.11 -1.13 0.16 0.00 -0.30 0.00 0.00 42.92 41.76 1nks s ASP 136 CO 0.88 -0.38 2.52 0.41 -0.17 0.00 0.00 175.17 178.42 1nks n THR 137 N 4.65 3.38 -2.47 1.71 -1.04 -1.26 -4.65 114.28 114.59 1nks n THR 137 Ca -0.01 -3.29 -0.42 0.00 -2.04 0.00 0.00 64.05 58.29 1nks n THR 137 Cb 0.42 -1.47 0.01 0.00 -1.82 0.00 0.00 70.33 67.47 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 0.41 5.05 0.00 12.58 -2.24 -1.26 -4.03 114.28 124.80 1nks n THR 138 Ca 0.50 -5.00 0.00 0.00 -2.27 0.00 0.00 64.05 57.28 1nks n THR 138 Cb 0.47 -2.11 0.00 0.00 -2.10 0.00 0.00 70.33 66.59 1nks n THR 138 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1nks n ARG 139 N 2.18 0.00 -3.20 -0.78 5.12 -1.26 -5.01 116.66 113.70 1nks n ARG 139 Ca 0.42 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 56.11 1nks n ARG 139 Cb 0.31 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.63 1nks n ARG 139 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1nks n ASN 140 N 0.00 -3.74 -0.61 0.55 4.05 -1.26 -4.83 115.26 109.42 1nks n ASN 140 Ca 0.00 -0.47 0.08 0.00 0.45 0.00 0.00 54.58 54.65 1nks n ASN 140 Cb 0.00 -1.17 0.28 0.00 1.23 0.00 0.00 39.78 40.12 1nks n ASN 140 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 177.26 172.10 1nks n ARG 141 N -1.24 1.79 -2.95 1.20 1.85 -1.26 -4.92 116.66 111.13 1nks n ARG 141 Ca -0.17 -1.20 -0.10 0.00 -1.00 0.00 0.00 57.85 55.38 1nks n ARG 141 Cb 0.51 -1.35 -0.03 0.00 -1.05 0.00 0.00 32.46 30.55 1nks n ARG 141 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1nks n ASN 142 N 0.44 0.17 0.03 2.89 6.94 -1.26 -4.75 115.26 119.72 1nks n ASN 142 Ca 0.14 -0.37 -0.07 0.00 -0.02 0.00 0.00 54.58 54.26 1nks n ASN 142 Cb 0.32 -0.47 -0.12 0.00 -2.36 0.00 0.00 39.78 37.16 1nks n ASN 142 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 1nks h ASP 143 N 0.12 0.00 -1.48 0.53 3.58 -2.01 -3.40 116.42 113.76 1nks h ASP 143 Ca -0.19 0.00 -0.64 0.00 0.42 0.00 0.00 57.03 56.61 1nks h ASP 143 Cb 0.41 0.00 -0.12 0.00 1.72 0.00 0.00 39.33 41.34 1nks h ASP 143 CO 0.22 0.94 1.42 -0.31 -2.88 0.00 0.00 179.24 178.63 1nks s TYR 144 N -2.69 2.79 0.00 0.28 2.02 -1.26 -4.88 117.35 113.61 1nks s TYR 144 Ca -0.02 -1.19 0.00 0.00 -0.37 0.00 0.00 57.07 55.49 1nks s TYR 144 Cb 0.09 -4.57 0.00 0.00 -0.40 0.00 0.00 41.96 37.07 1nks s TYR 144 CO 0.82 -1.77 0.00 0.43 -1.57 0.00 0.00 175.55 173.46 1nks n SER 145 N 7.99 0.00 -4.87 2.29 7.64 -1.26 -4.87 113.62 120.53 1nks n SER 145 Ca 0.33 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.99 1nks n SER 145 Cb 0.49 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.76 1nks n SER 145 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1nks s ASP 146 N -2.06 4.89 0.38 6.43 -4.77 -1.26 -4.97 116.67 115.32 1nks s ASP 146 Ca 0.00 -0.02 0.27 0.00 -3.30 0.00 0.00 52.55 49.50 1nks s ASP 146 Cb 0.00 -0.66 1.29 0.00 -1.09 0.00 0.00 42.92 42.46 1nks s ASP 146 CO 0.00 -1.46 1.82 1.05 0.70 0.00 0.00 175.17 177.28 1nks h GLU 147 N -0.25 0.00 0.00 2.11 4.11 -1.90 -1.90 114.58 116.75 1nks h GLU 147 Ca -0.41 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 58.98 1nks h GLU 147 Cb 1.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 1nks h GLU 147 CO 0.50 0.00 -0.20 0.66 0.07 0.00 0.00 179.01 180.05 1nks h SER 148 N 0.00 0.00 -0.01 3.06 4.64 -1.99 -0.84 113.55 118.41 1nks h SER 148 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 1nks h SER 148 Cb 0.21 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1nks h SER 148 CO 0.00 0.20 -0.77 0.58 -0.87 0.00 0.00 176.83 175.97 1nks h VAL 149 N 0.00 1.31 -0.09 0.95 2.07 -1.73 -2.53 116.25 116.24 1nks h VAL 149 Ca -0.00 -2.03 -0.01 0.00 0.82 0.00 0.00 66.70 65.48 1nks h VAL 149 Cb 0.54 2.03 -0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1nks h VAL 149 CO 0.03 0.63 0.03 0.40 0.02 0.00 0.00 177.57 178.68 1nks h ILE 150 N 0.45 1.18 -0.46 4.57 2.04 -1.46 -1.97 117.51 121.87 1nks h ILE 150 Ca -0.05 -0.54 0.05 0.00 1.00 0.00 0.00 64.86 65.32 1nks h ILE 150 Cb 1.38 1.37 -0.04 0.00 -0.74 0.00 0.00 36.82 38.79 1nks h ILE 150 CO 0.15 0.16 0.20 0.25 0.00 0.00 0.00 178.15 178.91 1nks h LEU 151 N -0.05 0.26 -1.18 1.44 7.12 -1.22 0.14 115.31 121.82 1nks h LEU 151 Ca 0.03 0.04 -0.07 0.00 0.13 0.00 0.00 57.88 58.01 1nks h LEU 151 Cb 0.22 -0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.33 1nks h LEU 151 CO -0.00 0.19 -0.17 -0.08 -0.13 0.00 0.00 178.44 178.24 1nks h GLU 152 N 0.40 0.36 0.01 1.25 4.81 -1.38 -1.17 114.58 118.86 1nks h GLU 152 Ca 0.21 -0.11 -0.25 0.00 -0.13 0.00 0.00 59.36 59.08 1nks h GLU 152 Cb 0.16 -0.04 0.02 0.00 0.63 0.00 0.00 28.75 29.52 1nks h GLU 152 CO -0.17 0.53 -0.99 1.15 -0.73 0.00 0.00 179.01 178.80 1nks h THR 153 N 0.33 1.30 -0.54 0.32 2.02 -0.68 -2.06 112.91 113.61 1nks h THR 153 Ca 0.06 -2.23 0.05 0.00 0.77 0.00 0.00 66.41 65.06 1nks h THR 153 Cb 0.50 2.43 -0.05 0.00 -1.74 0.00 0.00 68.15 69.29 1nks h THR 153 CO 0.03 0.68 0.28 0.40 0.37 0.00 0.00 175.52 177.29 1nks h ILE 154 N 0.32 0.96 -0.27 3.11 2.04 -0.45 -0.77 117.51 122.44 1nks h ILE 154 Ca -0.13 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.49 1nks h ILE 154 Cb 1.65 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1nks h ILE 154 CO 0.19 0.10 -0.06 0.78 0.00 0.00 0.00 178.15 179.16 1nks h ASN 155 N 0.54 0.53 0.27 1.72 2.35 -1.20 -1.75 115.58 118.04 1nks h ASN 155 Ca 0.24 -0.36 -0.06 0.00 -0.55 0.00 0.00 56.30 55.57 1nks h ASN 155 Cb 0.14 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1nks h ASN 155 CO -0.16 0.77 -0.27 -0.26 -1.65 0.00 0.00 177.43 175.86 1nks h PHE 156 N 0.29 0.00 -0.42 1.19 -1.00 -1.07 0.59 116.94 116.51 1nks h PHE 156 Ca 0.07 -0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.76 1nks h PHE 156 Cb 0.54 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.08 1nks h PHE 156 CO 0.05 0.27 -0.08 0.00 -1.61 0.00 0.00 178.31 176.95 1nks h ALA 157 N 1.73 0.58 -0.55 2.45 0.00 -0.95 -0.64 119.26 121.87 1nks h ALA 157 Ca -0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1nks h ALA 157 Cb 0.48 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1nks h ALA 157 CO 0.04 0.44 0.32 0.00 0.00 0.00 0.00 179.25 180.04 1nks h ARG 158 N 0.62 0.76 -0.09 0.00 3.08 -0.46 0.19 114.38 118.47 1nks h ARG 158 Ca 0.11 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1nks h ARG 158 Cb 0.60 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 1nks h ARG 158 CO 0.04 0.56 0.00 1.88 -1.07 0.00 0.00 179.97 181.38 1nks h TYR 159 N 0.74 0.18 -0.69 3.04 0.05 -0.74 -2.34 116.97 117.22 1nks h TYR 159 Ca 0.20 -0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.89 1nks h TYR 159 Cb 0.01 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 37.67 1nks h TYR 159 CO -0.02 0.42 0.22 0.00 -1.05 0.00 0.00 178.16 177.73 1nks h ALA 160 N 0.74 0.90 -0.58 3.88 0.00 -0.99 -1.41 119.26 121.79 1nks h ALA 160 Ca 0.03 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1nks h ALA 160 Cb 0.34 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1nks h ALA 160 CO 0.00 0.58 -0.02 0.00 0.00 0.00 0.00 179.25 179.81 1nks h ALA 161 N 1.10 0.87 -0.33 0.00 0.00 -1.00 0.31 119.26 120.21 1nks h ALA 161 Ca 0.22 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 1nks h ALA 161 Cb 0.29 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1nks h ALA 161 CO -0.01 0.66 -0.42 1.15 0.00 0.00 0.00 179.25 180.63 1nks h THR 162 N 0.94 1.28 -0.33 0.00 2.02 -1.20 0.36 112.91 115.98 1nks h THR 162 Ca 0.17 -1.61 -0.02 0.00 0.77 0.00 0.00 66.41 65.72 1nks h THR 162 Cb 0.56 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 1nks h THR 162 CO 0.03 0.53 0.14 0.00 0.37 0.00 0.00 175.52 176.59 1nks h ALA 163 N 0.84 0.43 -0.60 6.16 0.00 -1.00 0.58 119.26 125.68 1nks h ALA 163 Ca 0.05 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1nks h ALA 163 Cb 1.00 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1nks h ALA 163 CO 0.10 0.02 0.39 0.77 0.00 0.00 0.00 179.25 180.53 1nks h SER 164 N 0.39 0.59 -0.49 0.00 0.02 -0.68 -1.82 113.55 111.56 1nks h SER 164 Ca 0.11 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.94 1nks h SER 164 Cb 0.17 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1nks h SER 164 CO -0.01 0.41 -0.14 0.00 -1.14 0.00 0.00 176.83 175.95 1nks h ALA 165 N 1.66 0.79 -0.62 3.77 0.00 0.69 -2.17 119.26 123.37 1nks h ALA 165 Ca 0.24 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1nks h ALA 165 Cb 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1nks h ALA 165 CO -0.07 0.66 0.14 0.28 0.00 0.00 0.00 179.25 180.27 1nks h VAL 166 N 0.87 1.25 -0.44 0.00 2.07 -0.35 0.37 116.25 120.02 1nks h VAL 166 Ca 0.13 -0.91 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 1nks h VAL 166 Cb 0.70 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1nks h VAL 166 CO 0.05 0.34 0.09 -0.07 0.02 0.00 0.00 177.57 178.01 1nks h LEU 167 N 0.93 0.68 0.00 2.57 3.38 -1.15 -3.29 115.31 118.43 1nks h LEU 167 Ca 0.20 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1nks h LEU 167 Cb 0.35 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1nks h LEU 167 CO 0.00 0.75 -1.08 0.00 0.09 0.00 0.00 178.44 178.20 1nks n ALA 168 N -2.37 3.21 -1.37 1.53 0.00 -0.83 -4.93 120.51 115.74 1nks n ALA 168 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1nks n ALA 168 Cb 0.23 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1nks n ALA 168 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nks n GLY 169 N 1.33 0.74 3.86 0.00 0.00 0.13 -4.90 105.19 106.35 1nks n GLY 169 Ca 0.01 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 1nks n GLY 169 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nks s SER 170 N -2.75 5.54 0.51 1.61 0.15 -0.88 -4.99 113.70 112.89 1nks s SER 170 Ca 0.00 -0.30 -0.03 0.00 0.70 0.00 0.00 55.95 56.31 1nks s SER 170 Cb 0.00 -1.28 -0.01 0.00 -1.71 0.00 0.00 66.02 63.02 1nks s SER 170 CO 0.00 -0.17 0.78 0.42 1.20 0.00 0.00 173.24 175.47 1nks s THR 171 N -2.18 4.15 -0.08 6.45 -4.23 -0.29 -4.68 115.64 114.79 1nks s THR 171 Ca 0.36 -0.13 0.05 0.00 -1.18 0.00 0.00 61.69 60.80 1nks s THR 171 Cb -0.07 -3.58 -0.01 0.00 1.34 0.00 0.00 72.50 70.18 1nks s THR 171 CO 0.26 -0.52 -0.24 -0.69 -0.54 0.00 0.00 174.62 172.88 1nks s VAL 172 N -2.76 2.07 -0.07 2.29 1.01 -1.26 -1.38 120.40 120.30 1nks s VAL 172 Ca 0.50 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1nks s VAL 172 Cb -0.10 -1.76 0.02 0.00 0.00 0.00 0.00 36.38 34.53 1nks s VAL 172 CO 0.42 0.57 -0.10 -0.75 0.00 0.00 0.00 175.10 175.24 1nks s LYS 173 N 0.04 1.51 -0.09 2.72 2.36 -0.58 -4.96 119.74 120.75 1nks s LYS 173 Ca -0.10 -0.33 -0.19 0.00 -2.55 0.00 0.00 55.97 52.80 1nks s LYS 173 Cb -0.15 -1.33 -0.04 0.00 -1.05 0.00 0.00 37.83 35.25 1nks s LYS 173 CO 0.06 -0.04 0.52 0.08 1.55 0.00 0.00 175.35 177.52 1nks s VAL 174 N 0.89 5.11 -0.10 4.02 1.01 -1.26 -0.52 120.40 129.55 1nks s VAL 174 Ca -0.11 1.07 0.01 0.00 0.00 0.00 0.00 61.98 62.95 1nks s VAL 174 Cb -0.15 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.39 1nks s VAL 174 CO 0.01 0.35 -0.12 -0.63 0.00 0.00 0.00 175.10 174.71 1nks s ILE 175 N 0.42 1.24 -0.02 2.22 -1.09 0.18 -4.92 121.20 119.22 1nks s ILE 175 Ca 0.28 -0.48 -0.25 0.00 -2.23 0.00 0.00 60.65 57.97 1nks s ILE 175 Cb -0.16 -1.17 -0.04 0.00 -1.58 0.00 0.00 42.46 39.51 1nks s ILE 175 CO 0.13 0.39 0.77 -0.69 -1.23 0.00 0.00 174.94 174.31 1nks s VAL 176 N 1.13 4.92 -0.43 2.92 1.01 -1.26 -0.60 120.40 128.10 1nks s VAL 176 Ca -0.05 1.60 -0.17 0.00 0.00 0.00 0.00 61.98 63.37 1nks s VAL 176 Cb -0.14 -4.11 0.03 0.00 0.00 0.00 0.00 36.38 32.15 1nks s VAL 176 CO -0.02 0.27 0.44 0.21 0.00 0.00 0.00 175.10 175.99 1nks s ASN 177 N 0.58 6.19 -0.01 3.32 2.47 -0.31 -4.26 114.94 122.92 1nks s ASN 177 Ca 0.40 -0.77 -0.30 0.00 0.42 0.00 0.00 52.86 52.61 1nks s ASN 177 Cb -0.19 -2.22 -0.05 0.00 -1.45 0.00 0.00 41.25 37.34 1nks s ASN 177 CO 0.21 -0.60 1.38 -0.69 -3.72 0.00 0.00 177.10 173.69 1nks s VAL 178 N 2.09 3.77 0.14 -5.21 1.01 -1.25 -4.79 120.40 116.16 1nks s VAL 178 Ca 0.11 1.14 -0.31 0.00 0.00 0.00 0.00 61.98 62.92 1nks s VAL 178 Cb -0.18 -3.74 -0.07 0.00 0.00 0.00 0.00 36.38 32.39 1nks s VAL 178 CO 0.13 -0.01 1.56 -0.08 0.00 0.00 0.00 175.10 176.70 1nks h GLU 179 N 7.83 -0.36 0.00 2.72 4.57 -1.97 -3.13 114.58 124.24 1nks h GLU 179 Ca -0.37 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.83 1nks h GLU 179 Cb 1.18 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1nks h GLU 179 CO 0.90 -0.24 0.00 0.41 -1.18 0.00 0.00 179.01 178.91 1nks n GLY 180 N -1.39 -3.34 3.75 1.92 0.00 -1.26 -4.75 105.19 100.12 1nks n GLY 180 Ca -0.02 0.45 -0.37 0.00 0.00 0.00 0.00 46.02 46.07 1nks n GLY 180 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nks s ASP 181 N -2.57 6.59 0.00 1.61 2.15 -1.18 -5.00 116.67 118.26 1nks s ASP 181 Ca 0.00 0.69 0.25 0.00 0.43 0.00 0.00 52.55 53.92 1nks s ASP 181 Cb 0.00 -2.23 0.45 0.00 -0.30 0.00 0.00 42.92 40.85 1nks s ASP 181 CO 0.00 0.12 1.38 -0.81 -0.17 0.00 0.00 175.17 175.69 1nks n PRO 182 N 3.23 0.05 0.23 4.34 -0.05 -1.26 -3.85 135.00 137.70 1nks n PRO 182 Ca -0.11 -0.03 0.12 0.00 -0.05 0.00 0.00 63.50 63.43 1nks n PRO 182 Cb 0.52 -1.50 0.49 0.00 -0.05 0.00 0.00 33.50 32.96 1nks n PRO 182 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 175.50 176.48 1nks h SER 183 N 0.08 0.00 0.31 3.54 0.87 -1.94 -1.82 113.55 114.58 1nks h SER 183 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1nks h SER 183 Cb 0.50 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1nks h SER 183 CO 0.00 0.16 -0.15 0.40 -0.53 0.00 0.00 176.83 176.72 1nks h ILE 184 N 0.00 0.71 -0.23 2.23 2.04 -1.94 -0.28 117.51 120.03 1nks h ILE 184 Ca -0.00 -0.54 0.04 0.00 1.00 0.00 0.00 64.86 65.36 1nks h ILE 184 Cb 0.72 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 1nks h ILE 184 CO 0.02 0.11 -0.02 0.00 0.00 0.00 0.00 178.15 178.26 1nks h ALA 185 N -0.15 0.19 -0.57 1.87 0.00 -1.73 -1.49 119.26 117.38 1nks h ALA 185 Ca -0.04 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1nks h ALA 185 Cb 0.49 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 1nks h ALA 185 CO 0.07 -0.44 0.24 0.00 0.00 0.00 0.00 179.25 179.12 1nks h ALA 186 N 1.21 0.73 -0.17 0.00 0.00 -1.27 0.36 119.26 120.11 1nks h ALA 186 Ca 0.11 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 1nks h ALA 186 Cb 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1nks h ALA 186 CO -0.20 -0.15 -0.46 -0.91 0.00 0.00 0.00 179.25 177.53 1nks h ASN 187 N 0.45 0.47 -0.56 0.00 2.35 -0.50 -1.22 115.58 116.57 1nks h ASN 187 Ca 0.27 -0.22 0.02 0.00 -0.55 0.00 0.00 56.30 55.82 1nks h ASN 187 Cb 0.27 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 1nks h ASN 187 CO -0.24 0.87 0.35 -0.08 -1.65 0.00 0.00 177.43 176.67 1nks h GLU 188 N 0.35 0.68 -0.09 0.81 4.57 -0.44 0.36 114.58 120.83 1nks h GLU 188 Ca 0.02 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1nks h GLU 188 Cb 0.95 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.38 1nks h GLU 188 CO 0.08 0.45 0.05 0.82 -1.18 0.00 0.00 179.01 179.23 1nks h ILE 189 N 0.70 1.01 -0.89 2.32 2.04 -0.70 -1.23 117.51 120.76 1nks h ILE 189 Ca 0.22 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 66.03 1nks h ILE 189 Cb -0.02 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 1nks h ILE 189 CO -0.08 0.02 0.50 0.40 0.00 0.00 0.00 178.15 178.99 1nks h ILE 190 N 0.10 1.25 -0.82 -0.67 2.04 -0.67 -1.89 117.51 116.85 1nks h ILE 190 Ca 0.03 -0.61 0.04 0.00 1.00 0.00 0.00 64.86 65.33 1nks h ILE 190 Cb -0.00 0.04 -0.05 0.00 -0.74 0.00 0.00 36.82 36.07 1nks h ILE 190 CO -0.02 0.28 0.52 -0.09 0.00 0.00 0.00 178.15 178.84 1nks h ARG 191 N 1.23 0.96 0.00 2.37 2.43 0.22 -2.55 114.38 119.04 1nks h ARG 191 Ca 0.31 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.41 1nks h ARG 191 Cb 0.00 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.34 1nks h ARG 191 CO -0.05 0.63 -0.10 0.77 -1.51 0.00 0.00 179.97 179.71 1nks h SER 192 N 0.99 0.00 0.77 -3.80 0.02 -0.42 -2.79 113.55 108.32 1nks h SER 192 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1nks h SER 192 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1nks h SER 192 CO -0.13 0.10 -0.09 0.23 -1.14 0.00 0.00 176.83 175.80 1nks n MET 193 N -3.51 0.15 0.00 3.45 2.81 -0.96 -5.03 117.12 114.04 1nks n MET 193 Ca -0.02 -0.03 0.08 0.00 -1.81 0.00 0.00 57.70 55.93 1nks n MET 193 Cb 0.24 -1.50 0.48 0.00 -0.71 0.00 0.00 33.22 31.73 1nks n MET 193 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11