#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i20 n LYS 2 N 0.00 0.00 -0.26 0.00 3.00 -1.26 -3.56 118.16 116.09 3i20 n LYS 2 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.26 3i20 n LYS 2 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 35.03 35.08 3i20 n LYS 2 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 3i20 h LEU 3 N 0.00 0.87 -0.25 3.14 -0.00 -1.97 1.16 115.31 118.26 3i20 h LEU 3 Ca 0.00 -0.08 0.06 0.00 -0.00 0.00 0.00 57.88 57.86 3i20 h LEU 3 Cb 0.00 -0.22 -0.06 0.00 -0.00 0.00 0.00 40.66 40.38 3i20 h LEU 3 CO 0.00 0.69 -0.17 -0.74 -0.00 0.00 0.00 178.44 178.22 3i20 h HIS 4 N 0.98 -0.44 0.33 1.13 2.76 -1.91 0.49 115.15 118.48 3i20 h HIS 4 Ca 0.25 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.44 3i20 h HIS 4 Cb -0.00 0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.19 3i20 h HIS 4 CO -0.01 -0.25 -0.16 -0.44 -1.30 0.00 0.00 177.93 175.78 3i20 h ASP 5 N -0.16 -0.37 -0.93 3.26 3.45 -1.64 -2.07 116.42 117.95 3i20 h ASP 5 Ca 0.14 -0.01 0.27 0.00 0.43 0.00 0.00 57.03 57.85 3i20 h ASP 5 Cb 0.37 0.10 -0.14 0.00 -0.56 0.00 0.00 39.33 39.09 3i20 h ASP 5 CO -0.35 -0.23 0.38 0.22 -1.57 0.00 0.00 179.24 177.69 3i20 h TYR 6 N -0.48 0.61 -0.99 4.55 3.20 0.19 0.61 116.97 124.66 3i20 h TYR 6 Ca -0.04 0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.93 3i20 h TYR 6 Cb 0.36 -0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.45 3i20 h TYR 6 CO -0.04 -0.18 0.64 -0.92 -1.64 0.00 0.00 178.16 176.02 3i20 h TYR 7 N 0.28 1.19 0.00 -3.82 5.03 0.65 -3.36 116.97 116.93 3i20 h TYR 7 Ca 0.62 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.97 3i20 h TYR 7 Cb 1.32 -0.39 0.00 0.00 1.55 0.00 0.00 36.73 39.21 3i20 h TYR 7 CO -0.16 0.63 0.00 1.63 -1.32 0.00 0.00 178.16 178.95 3i20 n LYS 8 N -4.50 0.00 -1.43 1.82 4.76 0.21 -2.37 118.16 116.65 3i20 n LYS 8 Ca 0.15 0.00 -0.51 0.00 -2.87 0.00 0.00 58.31 55.07 3i20 n LYS 8 Cb 0.16 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.28 3i20 n LYS 8 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3i20 n ASP 9 N 0.00 2.05 -0.09 4.39 5.68 -1.16 -3.83 116.55 123.58 3i20 n ASP 9 Ca 0.00 0.43 0.00 0.00 -0.50 0.00 0.00 54.79 54.72 3i20 n ASP 9 Cb 0.00 -1.24 0.00 0.00 -1.14 0.00 0.00 41.12 38.74 3i20 n ASP 9 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3i20 n GLU 10 N 8.14 -0.25 0.00 0.11 1.02 -1.26 -4.59 120.64 123.82 3i20 n GLU 10 Ca 0.42 0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 3i20 n GLU 10 Cb 0.21 -0.23 0.00 0.00 -0.02 0.00 0.00 31.44 31.40 3i20 n GLU 10 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3i20 n VAL 11 N -1.44 0.00 -0.11 2.62 0.31 -1.26 -4.08 118.33 114.37 3i20 n VAL 11 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 3i20 n VAL 11 Cb 0.02 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.92 3i20 n VAL 11 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 3i20 h VAL 12 N 0.00 1.28 -0.32 2.52 3.04 -1.57 0.38 116.25 121.58 3i20 h VAL 12 Ca 0.00 -1.19 0.06 0.00 -1.01 0.00 0.00 66.70 64.56 3i20 h VAL 12 Cb 0.00 1.38 -0.08 0.00 -2.01 0.00 0.00 31.29 30.58 3i20 h VAL 12 CO 0.00 0.38 -0.43 0.50 -1.01 0.00 0.00 177.57 177.02 3i20 h LYS 13 N 0.42 -0.37 0.23 4.17 1.63 -1.77 -0.07 116.57 120.81 3i20 h LYS 13 Ca 0.08 0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.91 3i20 h LYS 13 Cb 0.62 0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 32.31 3i20 h LYS 13 CO 0.04 -0.24 -0.30 -0.22 -3.45 0.00 0.00 179.45 175.27 3i20 h LYS 14 N -0.38 -0.57 -0.48 1.90 3.11 -1.54 -2.71 116.57 115.90 3i20 h LYS 14 Ca 0.12 0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 57.98 3i20 h LYS 14 Cb 0.60 0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.93 3i20 h LYS 14 CO -0.52 -0.38 0.26 -0.07 -2.81 0.00 0.00 179.45 175.93 3i20 h LEU 15 N -0.59 0.61 -1.37 5.20 3.38 -0.23 -2.79 115.31 119.52 3i20 h LEU 15 Ca 0.00 -0.10 0.33 0.00 0.09 0.00 0.00 57.88 58.20 3i20 h LEU 15 Cb 0.57 -0.16 -0.11 0.00 0.09 0.00 0.00 40.66 41.05 3i20 h LEU 15 CO -0.10 0.53 0.73 0.24 0.09 0.00 0.00 178.44 179.93 3i20 h MET 16 N 0.64 0.27 0.02 1.13 2.86 -0.67 1.76 114.93 120.94 3i20 h MET 16 Ca 0.17 -0.02 -0.22 0.00 -2.06 0.00 0.00 59.70 57.58 3i20 h MET 16 Cb 0.07 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 3i20 h MET 16 CO -0.03 0.18 -1.01 1.79 1.06 0.00 0.00 176.91 178.90 3i20 h THR 17 N 0.28 1.65 -0.54 2.22 1.35 -1.47 -0.35 112.91 116.05 3i20 h THR 17 Ca 0.68 -3.24 -0.03 0.00 -0.55 0.00 0.00 66.41 63.27 3i20 h THR 17 Cb 1.89 2.80 -0.03 0.00 -1.73 0.00 0.00 68.15 71.08 3i20 h THR 17 CO -0.35 0.93 0.20 -0.33 -0.25 0.00 0.00 175.52 175.72 3i20 h GLU 18 N 0.02 0.79 0.00 4.72 5.08 0.28 -3.17 114.58 122.30 3i20 h GLU 18 Ca -0.03 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3i20 h GLU 18 Cb 1.75 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.86 3i20 h GLU 18 CO 0.14 0.66 -0.11 1.19 -1.00 0.00 0.00 179.01 179.89 3i20 n PHE 19 N -4.32 0.00 -2.24 4.33 3.01 -0.66 -5.04 117.46 112.54 3i20 n PHE 19 Ca 0.04 -0.50 0.00 0.00 1.01 0.00 0.00 57.45 58.01 3i20 n PHE 19 Cb 0.17 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.56 3i20 n PHE 19 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 3i20 n ASN 20 N -0.66 0.00 -4.73 4.37 0.23 -0.14 -4.86 115.26 109.46 3i20 n ASN 20 Ca 0.06 0.00 -0.30 0.00 -0.53 0.00 0.00 54.58 53.81 3i20 n ASN 20 Cb 0.53 0.00 0.13 0.00 -2.08 0.00 0.00 39.78 38.36 3i20 n ASN 20 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 3i20 s TYR 21 N -1.72 2.40 -0.10 -2.53 2.02 -1.20 -5.02 117.35 111.20 3i20 s TYR 21 Ca 0.00 1.28 -0.01 0.00 -0.37 0.00 0.00 57.07 57.97 3i20 s TYR 21 Cb 0.00 -3.14 -0.00 0.00 -0.40 0.00 0.00 41.96 38.41 3i20 s TYR 21 CO 0.00 -2.26 -0.02 -0.91 -1.57 0.00 0.00 175.55 170.79 3i20 h ASN 22 N -1.45 0.00 -2.35 2.29 -0.26 -1.95 -3.47 115.58 108.38 3i20 h ASN 22 Ca -0.48 0.00 -0.51 0.00 -0.56 0.00 0.00 56.30 54.74 3i20 h ASN 22 Cb 1.28 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 38.50 3i20 h ASN 22 CO 0.55 0.50 -0.50 -0.55 -1.06 0.00 0.00 177.43 176.36 3i20 s SER 23 N -5.39 5.86 0.31 5.81 0.15 -1.26 -5.01 113.70 114.17 3i20 s SER 23 Ca -0.02 -0.08 0.12 0.00 0.70 0.00 0.00 55.95 56.68 3i20 s SER 23 Cb 0.00 -1.61 0.47 0.00 -1.71 0.00 0.00 66.02 63.17 3i20 s SER 23 CO 0.03 -0.01 1.67 -0.37 1.20 0.00 0.00 173.24 175.75 3i20 h VAL 24 N 1.54 1.31 -0.23 4.45 -1.51 -1.99 -2.47 116.25 117.35 3i20 h VAL 24 Ca -0.49 -1.88 0.07 0.00 -1.23 0.00 0.00 66.70 63.16 3i20 h VAL 24 Cb 1.22 2.04 -0.01 0.00 -2.13 0.00 0.00 31.29 32.41 3i20 h VAL 24 CO 0.62 0.53 0.32 0.24 -1.23 0.00 0.00 177.57 178.05 3i20 h MET 25 N 0.00 0.00 0.00 5.19 2.86 -2.01 0.28 114.93 121.24 3i20 h MET 25 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3i20 h MET 25 Cb 0.99 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.65 3i20 h MET 25 CO 0.07 0.00 0.00 0.94 1.06 0.00 0.00 176.91 178.98 3i20 n GLN 26 N -3.54 0.46 -2.64 1.72 7.27 -0.93 -4.77 117.38 114.95 3i20 n GLN 26 Ca 0.03 0.02 -0.41 0.00 0.07 0.00 0.00 57.00 56.71 3i20 n GLN 26 Cb 0.45 -1.50 -0.04 0.00 2.41 0.00 0.00 30.24 31.56 3i20 n GLN 26 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3i20 s VAL 27 N -2.51 4.41 0.56 1.69 0.11 0.97 -5.00 120.40 120.63 3i20 s VAL 27 Ca 0.28 1.90 -0.20 0.00 -2.93 0.00 0.00 61.98 61.03 3i20 s VAL 27 Cb 0.19 -4.21 -0.06 0.00 -1.53 0.00 0.00 36.38 30.77 3i20 s VAL 27 CO 0.42 0.24 1.00 -2.65 -3.33 0.00 0.00 175.10 170.78 3i20 n PRO 28 N 3.15 1.07 -3.74 1.54 -0.02 -1.26 -4.91 135.00 130.83 3i20 n PRO 28 Ca 0.04 0.40 -0.12 0.00 -2.02 0.00 0.00 63.50 61.80 3i20 n PRO 28 Cb 0.49 -2.18 -0.12 0.00 -0.02 0.00 0.00 33.50 31.67 3i20 n PRO 28 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3i20 s ARG 29 N -2.61 0.29 0.04 -0.52 1.70 -1.26 -4.93 118.95 111.66 3i20 s ARG 29 Ca 0.73 0.53 -0.33 0.00 -0.47 0.00 0.00 55.73 56.19 3i20 s ARG 29 Cb -0.44 0.00 -0.12 0.00 -0.57 0.00 0.00 34.95 33.82 3i20 s ARG 29 CO 0.49 -0.12 1.79 1.55 -1.08 0.00 0.00 175.30 177.94 3i20 n VAL 30 N 3.76 0.37 -0.11 4.99 3.14 -1.26 -2.95 118.33 126.27 3i20 n VAL 30 Ca -0.20 -0.07 -0.13 0.00 -2.96 0.00 0.00 64.34 60.98 3i20 n VAL 30 Cb 0.55 -1.86 -0.13 0.00 -1.06 0.00 0.00 33.84 31.34 3i20 n VAL 30 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 3i20 n GLU 31 N 5.52 0.76 -3.59 1.45 2.13 0.11 -4.97 120.64 122.05 3i20 n GLU 31 Ca 0.20 0.07 -0.09 0.00 0.66 0.00 0.00 57.16 58.00 3i20 n GLU 31 Cb 0.32 -1.48 -0.05 0.00 0.27 0.00 0.00 31.44 30.50 3i20 n GLU 31 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 3i20 s LYS 32 N -2.47 0.50 -0.26 5.31 -2.85 -0.71 -4.90 119.74 114.36 3i20 s LYS 32 Ca -0.22 0.11 0.01 0.00 -1.00 0.00 0.00 55.97 54.88 3i20 s LYS 32 Cb 0.07 0.24 0.05 0.00 -2.06 0.00 0.00 37.83 36.12 3i20 s LYS 32 CO 0.66 -0.16 -0.08 0.42 0.10 0.00 0.00 175.35 176.29 3i20 s ILE 33 N -1.13 2.46 -0.25 3.79 1.01 -0.76 0.02 121.20 126.34 3i20 s ILE 33 Ca 0.00 -1.44 -0.09 0.00 0.00 0.00 0.00 60.65 59.13 3i20 s ILE 33 Cb -0.01 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 3i20 s ILE 33 CO -0.00 0.03 0.13 0.42 0.00 0.00 0.00 174.94 175.51 3i20 s THR 34 N 1.18 4.92 -0.17 2.92 -4.23 -0.76 -0.38 115.64 119.13 3i20 s THR 34 Ca -0.06 0.03 -0.00 0.00 -1.18 0.00 0.00 61.69 60.48 3i20 s THR 34 Cb -0.19 -3.30 -0.00 0.00 1.34 0.00 0.00 72.50 70.35 3i20 s THR 34 CO -0.05 0.32 -0.14 -1.48 -0.54 0.00 0.00 174.62 172.73 3i20 s LEU 35 N 1.40 2.49 0.17 4.79 0.05 -0.36 -0.95 118.68 126.28 3i20 s LEU 35 Ca 0.06 -0.48 0.07 0.00 0.05 0.00 0.00 54.13 53.83 3i20 s LEU 35 Cb -0.15 -1.57 -0.04 0.00 -2.05 0.00 0.00 46.19 42.37 3i20 s LEU 35 CO 0.06 0.06 -0.14 0.21 -0.55 0.00 0.00 176.35 176.00 3i20 s ASN 36 N 0.94 2.30 0.01 1.48 2.47 -0.97 -0.35 114.94 120.81 3i20 s ASN 36 Ca -0.03 -0.98 -0.00 0.00 0.42 0.00 0.00 52.86 52.27 3i20 s ASN 36 Cb -0.15 -0.10 -0.00 0.00 -1.45 0.00 0.00 41.25 39.55 3i20 s ASN 36 CO -0.02 -0.20 -0.01 0.23 -3.72 0.00 0.00 177.10 173.39 3i20 n MET 37 N -0.15 0.01 -1.54 0.43 2.81 -0.35 -2.51 117.12 115.82 3i20 n MET 37 Ca -0.10 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 55.79 3i20 n MET 37 Cb 0.60 -0.15 0.00 0.00 -0.71 0.00 0.00 33.22 32.96 3i20 n MET 37 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i20 n GLY 38 N 3.21 -1.88 0.18 3.03 0.00 -1.25 -4.83 105.19 103.64 3i20 n GLY 38 Ca -0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 46.02 45.82 3i20 n GLY 38 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3i20 h VAL 39 N 0.08 0.79 0.00 1.61 3.04 -1.91 -3.46 116.25 116.40 3i20 h VAL 39 Ca 0.00 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.61 3i20 h VAL 39 Cb 0.01 0.53 0.00 0.00 -2.01 0.00 0.00 31.29 29.83 3i20 h VAL 39 CO 0.00 0.04 0.00 0.61 -1.01 0.00 0.00 177.57 177.22 3i20 n GLY 40 N -1.25 0.94 0.97 3.17 0.00 -1.26 -4.51 105.19 103.25 3i20 n GLY 40 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 3i20 n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i20 n GLU 41 N 0.00 2.29 0.26 1.61 -0.58 -1.26 -4.06 120.64 118.89 3i20 n GLU 41 Ca 0.00 -1.95 0.17 0.00 -0.42 0.00 0.00 57.16 54.96 3i20 n GLU 41 Cb 0.00 -1.46 0.78 0.00 -0.57 0.00 0.00 31.44 30.19 3i20 n GLU 41 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i20 h ALA 42 N 4.58 1.00 -0.82 0.62 0.00 -1.79 0.88 119.26 123.73 3i20 h ALA 42 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.12 3i20 h ALA 42 Cb 0.98 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 3i20 h ALA 42 CO 0.00 0.00 0.56 -0.84 0.00 0.00 0.00 179.25 178.97 3i20 h ILE 43 N 0.00 0.66 0.00 0.00 3.07 -1.87 -2.97 117.51 116.40 3i20 h ILE 43 Ca 0.00 -0.07 0.00 0.00 1.55 0.00 0.00 64.86 66.34 3i20 h ILE 43 Cb 0.30 0.44 0.00 0.00 -0.27 0.00 0.00 36.82 37.29 3i20 h ILE 43 CO 0.00 0.04 -0.12 0.00 -1.05 0.00 0.00 178.15 177.02 3i20 n ALA 44 N -2.60 0.15 -2.69 0.16 0.00 0.09 -4.83 120.51 110.79 3i20 n ALA 44 Ca 0.17 -0.31 -0.43 0.00 0.00 0.00 0.00 53.44 52.87 3i20 n ALA 44 Cb 0.75 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.18 3i20 n ALA 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i20 s ASP 45 N -4.24 6.70 0.49 0.00 -0.00 0.01 -4.81 116.67 114.81 3i20 s ASP 45 Ca -0.03 -2.05 0.21 0.00 -0.00 0.00 0.00 52.55 50.68 3i20 s ASP 45 Cb 0.00 -2.52 1.25 0.00 -0.00 0.00 0.00 42.92 41.66 3i20 s ASP 45 CO 0.05 -1.22 1.97 0.07 -0.00 0.00 0.00 175.17 176.03 3i20 h LYS 46 N 8.64 0.17 0.00 8.23 -0.00 -1.78 0.19 116.57 132.01 3i20 h LYS 46 Ca 0.28 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.92 3i20 h LYS 46 Cb 0.96 -0.04 0.00 0.00 -0.00 0.00 0.00 32.23 33.15 3i20 h LYS 46 CO 1.35 0.11 0.00 -0.22 -0.00 0.00 0.00 179.45 180.69 3i20 h LYS 47 N 0.17 0.00 -0.75 0.07 3.64 -1.88 -3.21 116.57 114.62 3i20 h LYS 47 Ca 0.30 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.65 3i20 h LYS 47 Cb 0.94 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.72 3i20 h LYS 47 CO -0.05 0.00 0.36 1.25 -2.27 0.00 0.00 179.45 178.75 3i20 h LEU 48 N 0.00 0.98 -0.89 5.20 5.85 -0.99 -2.91 115.31 122.56 3i20 h LEU 48 Ca 0.00 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 3i20 h LEU 48 Cb 0.91 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 3i20 h LEU 48 CO 0.00 0.84 0.48 0.25 -0.34 0.00 0.00 178.44 179.67 3i20 h LEU 49 N 1.06 1.12 -1.49 2.25 5.85 -1.58 -2.58 115.31 119.95 3i20 h LEU 49 Ca 0.26 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.95 3i20 h LEU 49 Cb 0.12 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 3i20 h LEU 49 CO -0.03 0.91 0.44 0.44 -0.34 0.00 0.00 178.44 179.86 3i20 h ASP 50 N 1.25 0.53 -0.18 1.25 5.19 -1.64 0.15 116.42 122.98 3i20 h ASP 50 Ca 0.31 0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.66 3i20 h ASP 50 Cb 0.04 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.44 3i20 h ASP 50 CO -0.05 0.33 -0.15 0.78 -3.12 0.00 0.00 179.24 177.03 3i20 h ASN 51 N 0.60 0.44 -0.63 6.45 2.35 -1.47 -1.23 115.58 122.08 3i20 h ASN 51 Ca 0.30 -0.47 0.02 0.00 -0.55 0.00 0.00 56.30 55.61 3i20 h ASN 51 Cb 0.39 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 3i20 h ASN 51 CO -0.10 0.81 0.42 0.00 -1.65 0.00 0.00 177.43 176.92 3i20 h ALA 52 N 0.64 1.61 0.07 -0.83 0.00 -1.01 0.39 119.26 120.13 3i20 h ALA 52 Ca 0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i20 h ALA 52 Cb 0.68 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3i20 h ALA 52 CO 0.04 0.33 -0.03 0.00 0.00 0.00 0.00 179.25 179.59 3i20 h ALA 53 N 1.62 -0.46 -1.59 0.00 0.00 -0.97 -2.37 119.26 115.50 3i20 h ALA 53 Ca 0.25 -0.02 0.46 0.00 0.00 0.00 0.00 54.91 55.60 3i20 h ALA 53 Cb 0.01 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 3i20 h ALA 53 CO -0.06 -0.45 1.31 0.00 0.00 0.00 0.00 179.25 180.04 3i20 n ALA 54 N -2.11 1.52 0.30 0.00 0.00 -0.47 -0.33 120.51 119.42 3i20 n ALA 54 Ca -0.01 0.52 -0.12 0.00 0.00 0.00 0.00 53.44 53.83 3i20 n ALA 54 Cb 0.04 -0.91 -0.06 0.00 0.00 0.00 0.00 19.45 18.52 3i20 n ALA 54 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3i20 h ASP 55 N 0.00 -0.67 -0.37 0.00 3.45 -0.82 -2.96 116.42 115.05 3i20 h ASP 55 Ca 0.75 0.02 0.11 0.00 0.43 0.00 0.00 57.03 58.34 3i20 h ASP 55 Cb 3.36 0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 42.29 3i20 h ASP 55 CO -0.01 -0.35 0.35 -0.07 -1.57 0.00 0.00 179.24 177.59 3i20 h LEU 56 N -1.05 0.00 -0.65 1.55 3.38 -0.13 -0.84 115.31 117.58 3i20 h LEU 56 Ca -0.08 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.94 3i20 h LEU 56 Cb 0.60 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 3i20 h LEU 56 CO 0.13 0.00 0.37 0.00 0.09 0.00 0.00 178.44 179.03 3i20 h ALA 57 N 1.66 0.85 0.20 1.53 0.00 -0.69 -0.33 119.26 122.48 3i20 h ALA 57 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.75 3i20 h ALA 57 Cb 0.87 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.53 3i20 h ALA 57 CO -0.00 0.07 -1.66 0.00 0.00 0.00 0.00 179.25 177.66 3i20 h ALA 58 N 1.32 0.08 -0.86 0.00 0.00 -1.04 -3.33 119.26 115.43 3i20 h ALA 58 Ca 0.28 -1.07 0.07 0.00 0.00 0.00 0.00 54.91 54.19 3i20 h ALA 58 Cb 0.12 0.39 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 3i20 h ALA 58 CO -0.15 0.92 0.52 0.82 0.00 0.00 0.00 179.25 181.37 3i20 h ILE 59 N 0.08 1.01 -4.29 0.00 2.04 -1.28 -3.43 117.51 111.64 3i20 h ILE 59 Ca -0.32 -0.32 -0.68 0.00 1.00 0.00 0.00 64.86 64.54 3i20 h ILE 59 Cb 2.09 -0.01 -0.26 0.00 -0.74 0.00 0.00 36.82 37.90 3i20 h ILE 59 CO 0.19 0.17 -0.88 -0.94 0.00 0.00 0.00 178.15 176.70 3i20 s SER 60 N -5.74 3.08 0.09 1.72 1.04 -0.14 -4.98 113.70 108.77 3i20 s SER 60 Ca -0.13 -0.58 -0.03 0.00 0.48 0.00 0.00 55.95 55.69 3i20 s SER 60 Cb 0.19 -0.28 0.13 0.00 0.10 0.00 0.00 66.02 66.16 3i20 s SER 60 CO 0.79 0.25 0.48 0.61 0.98 0.00 0.00 173.24 176.35 3i20 n GLY 61 N 1.78 -0.54 0.00 7.32 0.00 -1.26 -4.58 105.19 107.91 3i20 n GLY 61 Ca -0.17 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3i20 n GLY 61 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i20 n GLN 62 N -4.50 0.60 -2.67 1.61 1.13 -1.26 -4.93 117.38 107.36 3i20 n GLN 62 Ca 0.05 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.68 3i20 n GLN 62 Cb 0.15 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.47 3i20 n GLN 62 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 3i20 s LYS 63 N 1.62 3.42 0.40 -1.09 2.20 -1.26 -4.27 119.74 120.76 3i20 s LYS 63 Ca 0.00 0.02 -0.24 0.00 -0.36 0.00 0.00 55.97 55.39 3i20 s LYS 63 Cb 0.00 -4.05 -0.12 0.00 -1.51 0.00 0.00 37.83 32.16 3i20 s LYS 63 CO 0.00 -1.66 0.86 -2.30 -0.36 0.00 0.00 175.35 171.89 3i20 n PRO 64 N 8.19 1.08 -3.98 4.03 -0.02 -1.26 -4.98 135.00 138.07 3i20 n PRO 64 Ca 0.06 0.39 -0.35 0.00 -2.02 0.00 0.00 63.50 61.57 3i20 n PRO 64 Cb 0.48 -1.83 -0.09 0.00 -0.02 0.00 0.00 33.50 32.04 3i20 n PRO 64 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3i20 s LEU 65 N 0.32 3.92 -0.02 2.45 2.96 -0.43 -4.92 118.68 122.96 3i20 s LEU 65 Ca 0.63 0.15 -0.22 0.00 -0.22 0.00 0.00 54.13 54.47 3i20 s LEU 65 Cb -0.60 -1.98 -0.05 0.00 0.50 0.00 0.00 46.19 44.06 3i20 s LEU 65 CO 0.57 0.21 0.64 0.27 -1.32 0.00 0.00 176.35 176.73 3i20 s ILE 66 N 0.14 4.93 -0.23 6.68 -4.36 -1.26 -0.33 121.20 126.77 3i20 s ILE 66 Ca 0.06 1.33 -0.05 0.00 -0.26 0.00 0.00 60.65 61.73 3i20 s ILE 66 Cb -0.12 -3.98 -0.01 0.00 1.25 0.00 0.00 42.46 39.60 3i20 s ILE 66 CO 0.00 0.36 -0.01 0.42 0.24 0.00 0.00 174.94 175.96 3i20 s THR 67 N 0.12 3.68 0.89 8.37 -4.23 0.60 -4.95 115.64 120.12 3i20 s THR 67 Ca 0.33 -0.39 -0.12 0.00 -1.18 0.00 0.00 61.69 60.34 3i20 s THR 67 Cb -0.18 -2.69 0.13 0.00 1.34 0.00 0.00 72.50 71.09 3i20 s THR 67 CO 0.18 0.39 1.10 -0.54 -0.54 0.00 0.00 174.62 175.21 3i20 s LYS 68 N 1.52 1.29 -0.06 3.99 3.01 -1.26 -1.20 119.74 127.03 3i20 s LYS 68 Ca 0.06 0.62 -0.30 0.00 -1.01 0.00 0.00 55.97 55.34 3i20 s LYS 68 Cb -0.15 -1.83 -0.04 0.00 -1.01 0.00 0.00 37.83 34.80 3i20 s LYS 68 CO -0.01 -2.16 1.40 0.00 0.51 0.00 0.00 175.35 175.08 3i20 s ALA 69 N -3.06 3.60 0.29 5.17 0.00 0.12 -4.64 121.76 123.24 3i20 s ALA 69 Ca 0.63 0.75 0.03 0.00 0.00 0.00 0.00 51.96 53.37 3i20 s ALA 69 Cb -0.17 -3.63 0.70 0.00 0.00 0.00 0.00 23.12 20.03 3i20 s ALA 69 CO 0.56 -1.07 1.68 -0.09 0.00 0.00 0.00 175.76 176.83 3i20 h ARG 70 N 8.26 0.32 -2.56 0.00 2.43 -1.93 -3.00 114.38 117.90 3i20 h ARG 70 Ca -0.35 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 58.71 3i20 h ARG 70 Cb 1.16 -0.07 -0.21 0.00 -0.42 0.00 0.00 29.97 30.43 3i20 h ARG 70 CO 0.93 0.21 -0.09 0.21 -1.51 0.00 0.00 179.97 179.73 3i20 s LYS 71 N -5.91 0.77 -0.05 0.20 2.47 -1.26 -4.80 119.74 111.16 3i20 s LYS 71 Ca -0.12 0.21 -0.30 0.00 -1.56 0.00 0.00 55.97 54.20 3i20 s LYS 71 Cb 0.25 0.36 -0.04 0.00 -1.46 0.00 0.00 37.83 36.94 3i20 s LYS 71 CO 0.77 -0.20 1.24 0.45 0.16 0.00 0.00 175.35 177.78 3i20 s SER 72 N -0.82 7.01 -0.03 1.43 0.15 -1.26 -4.75 113.70 115.43 3i20 s SER 72 Ca -0.09 1.86 -0.01 0.00 0.70 0.00 0.00 55.95 58.41 3i20 s SER 72 Cb -0.03 -2.56 0.03 0.00 -1.71 0.00 0.00 66.02 61.75 3i20 s SER 72 CO 0.05 -0.62 0.06 0.68 1.20 0.00 0.00 173.24 174.62 3i20 s VAL 73 N 2.31 -0.06 -0.00 4.45 -7.23 -1.02 -4.91 120.40 113.94 3i20 s VAL 73 Ca 0.57 0.22 0.32 0.00 -1.81 0.00 0.00 61.98 61.28 3i20 s VAL 73 Cb -0.26 -0.13 0.38 0.00 0.56 0.00 0.00 36.38 36.93 3i20 s VAL 73 CO 0.22 0.09 1.92 0.00 -0.31 0.00 0.00 175.10 177.02 3i20 h ALA 74 N 7.34 1.00 -0.98 1.32 0.00 -1.96 -3.18 119.26 122.81 3i20 h ALA 74 Ca -0.43 0.00 0.20 0.00 0.00 0.00 0.00 54.91 54.67 3i20 h ALA 74 Cb 1.13 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.82 3i20 h ALA 74 CO 0.45 0.00 0.62 0.78 0.00 0.00 0.00 179.25 181.09 3i20 h GLY 75 N 2.35 1.46 -0.97 0.00 0.00 -1.97 -2.58 103.07 101.37 3i20 h GLY 75 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3i20 h GLY 75 CO 0.00 -0.04 0.00 0.69 0.00 0.00 0.00 176.54 177.19 3i20 n PHE 76 N -4.67 0.21 -1.99 5.60 3.01 -1.23 -5.00 117.46 113.39 3i20 n PHE 76 Ca 0.22 -0.25 -0.10 0.00 1.01 0.00 0.00 57.45 58.33 3i20 n PHE 76 Cb 0.63 -0.01 -0.01 0.00 -0.01 0.00 0.00 39.48 40.07 3i20 n PHE 76 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3i20 n LYS 77 N 0.48 -0.77 -3.98 -1.08 5.02 -0.97 -5.03 118.16 111.83 3i20 n LYS 77 Ca 0.08 0.56 -0.35 0.00 -2.02 0.00 0.00 58.31 56.58 3i20 n LYS 77 Cb 0.33 -4.58 -0.11 0.00 -0.02 0.00 0.00 35.03 30.64 3i20 n LYS 77 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3i20 s ILE 78 N -2.46 4.38 0.48 -0.18 -4.36 -1.20 -5.04 121.20 112.82 3i20 s ILE 78 Ca 0.00 -0.17 -0.06 0.00 -0.26 0.00 0.00 60.65 60.16 3i20 s ILE 78 Cb 0.00 -3.00 -0.04 0.00 1.25 0.00 0.00 42.46 40.67 3i20 s ILE 78 CO 0.00 0.41 0.80 -0.60 0.24 0.00 0.00 174.94 175.79 3i20 s ARG 79 N 0.92 3.57 0.23 0.37 3.52 -1.26 -2.44 118.95 123.85 3i20 s ARG 79 Ca 0.03 0.25 -0.30 0.00 -0.13 0.00 0.00 55.73 55.58 3i20 s ARG 79 Cb -0.14 -2.36 -0.09 0.00 -1.56 0.00 0.00 34.95 30.80 3i20 s ARG 79 CO 0.02 -0.21 1.08 -1.14 -0.81 0.00 0.00 175.30 174.25 3i20 s GLN 80 N -4.67 4.64 0.00 5.12 -0.44 -1.26 -2.85 119.66 120.20 3i20 s GLN 80 Ca 0.48 1.73 0.00 0.00 -2.50 0.00 0.00 55.36 55.07 3i20 s GLN 80 Cb -0.10 -3.24 0.00 0.00 -1.64 0.00 0.00 33.01 28.03 3i20 s GLN 80 CO 0.44 0.18 0.00 0.41 0.50 0.00 0.00 175.29 176.82 3i20 n GLY 81 N 1.64 0.57 3.54 2.59 0.00 -1.13 -4.94 105.19 107.44 3i20 n GLY 81 Ca 0.01 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 3i20 n GLY 81 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3i20 s TYR 82 N -2.00 2.98 -0.69 1.61 6.04 -1.13 -4.68 117.35 119.47 3i20 s TYR 82 Ca 0.00 0.13 -0.28 0.00 0.04 0.00 0.00 57.07 56.95 3i20 s TYR 82 Cb 0.00 -3.70 -0.13 0.00 -1.04 0.00 0.00 41.96 37.09 3i20 s TYR 82 CO 0.00 -1.02 2.53 -0.35 -1.54 0.00 0.00 175.55 175.17 3i20 n PRO 83 N 6.77 0.62 -2.44 4.97 -0.04 -1.26 0.12 135.00 143.73 3i20 n PRO 83 Ca 0.02 0.01 -0.13 0.00 -0.04 0.00 0.00 63.50 63.35 3i20 n PRO 83 Cb 0.48 -2.62 0.03 0.00 -0.04 0.00 0.00 33.50 31.35 3i20 n PRO 83 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 3i20 n ILE 84 N 7.77 1.88 0.00 0.52 0.13 -0.34 -4.78 119.36 124.54 3i20 n ILE 84 Ca 0.49 -3.67 0.00 0.00 -1.10 0.00 0.00 62.75 58.47 3i20 n ILE 84 Cb 0.33 -0.02 0.00 0.00 -0.84 0.00 0.00 39.64 39.10 3i20 n ILE 84 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3i20 n GLY 85 N -0.59 3.85 3.24 4.50 0.00 -1.11 -3.96 105.19 111.12 3i20 n GLY 85 Ca 0.26 -1.13 -0.18 0.00 0.00 0.00 0.00 46.02 44.96 3i20 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i20 s LYS 87 N -2.52 1.28 -0.15 0.00 -2.85 0.55 -1.22 119.74 114.84 3i20 s LYS 87 Ca 0.08 -1.48 -0.07 0.00 -1.00 0.00 0.00 55.97 53.49 3i20 s LYS 87 Cb -0.06 0.33 0.06 0.00 -2.06 0.00 0.00 37.83 36.11 3i20 s LYS 87 CO 0.03 -0.46 0.34 0.08 0.10 0.00 0.00 175.35 175.45 3i20 s VAL 88 N -4.10 -0.20 -0.27 1.79 1.01 0.52 -1.31 120.40 117.84 3i20 s VAL 88 Ca 0.32 0.15 -0.15 0.00 0.00 0.00 0.00 61.98 62.30 3i20 s VAL 88 Cb 0.05 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 3i20 s VAL 88 CO 0.10 0.06 0.39 -0.89 0.00 0.00 0.00 175.10 174.76 3i20 s THR 89 N 1.74 5.16 -0.15 3.92 2.01 -1.26 -1.22 115.64 125.84 3i20 s THR 89 Ca -0.06 0.58 -0.12 0.00 0.31 0.00 0.00 61.69 62.40 3i20 s THR 89 Cb -0.10 -3.72 -0.05 0.00 0.01 0.00 0.00 72.50 68.65 3i20 s THR 89 CO -0.11 0.14 0.24 -0.76 -0.69 0.00 0.00 174.62 173.44 3i20 s LEU 90 N 2.09 4.27 0.00 4.42 2.01 0.49 -4.98 118.68 126.99 3i20 s LEU 90 Ca 0.15 0.47 0.00 0.00 0.01 0.00 0.00 54.13 54.77 3i20 s LEU 90 Cb -0.16 -2.28 0.00 0.00 0.01 0.00 0.00 46.19 43.76 3i20 s LEU 90 CO 0.10 0.18 0.00 0.54 1.01 0.00 0.00 176.35 178.18 3i20 n ARG 91 N 3.21 0.50 0.00 1.70 1.74 -1.26 -1.83 116.66 120.72 3i20 n ARG 91 Ca -0.14 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 3i20 n ARG 91 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.96 3i20 n ARG 91 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i20 n GLY 92 N 0.98 1.58 0.17 -0.13 0.00 -1.26 -0.24 105.19 106.28 3i20 n GLY 92 Ca 0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 3i20 n GLY 92 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3i20 h GLU 93 N 0.00 0.51 -0.76 1.61 4.57 -2.00 -3.12 114.58 115.38 3i20 h GLU 93 Ca 0.00 -0.29 0.06 0.00 -1.18 0.00 0.00 59.36 57.95 3i20 h GLU 93 Cb 0.00 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.56 3i20 h GLU 93 CO 0.00 0.88 0.50 0.00 -1.18 0.00 0.00 179.01 179.21 3i20 h ARG 94 N 0.16 0.80 0.86 1.92 3.08 -1.96 -0.65 114.38 118.60 3i20 h ARG 94 Ca 0.02 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 3i20 h ARG 94 Cb 0.82 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 30.69 3i20 h ARG 94 CO 0.06 0.53 -0.44 1.98 -1.07 0.00 0.00 179.97 181.03 3i20 h MET 95 N 0.82 -1.14 -0.67 0.04 4.05 -0.56 -0.78 114.93 116.70 3i20 h MET 95 Ca 0.33 0.08 0.08 0.00 -0.28 0.00 0.00 59.70 59.90 3i20 h MET 95 Cb 0.23 0.26 -0.06 0.00 -0.80 0.00 0.00 31.60 31.22 3i20 h MET 95 CO -0.11 -0.76 0.34 -1.49 0.23 0.00 0.00 176.91 175.12 3i20 h TRP 96 N -1.18 0.61 -0.18 1.39 4.06 -1.46 0.31 115.95 119.50 3i20 h TRP 96 Ca -0.12 0.03 0.02 0.00 2.06 0.00 0.00 58.89 60.88 3i20 h TRP 96 Cb 0.92 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.88 3i20 h TRP 96 CO -0.03 0.24 0.05 0.93 -3.56 0.00 0.00 178.44 176.07 3i20 h GLU 97 N 0.60 0.12 -0.08 0.49 5.08 -0.87 0.11 114.58 120.04 3i20 h GLU 97 Ca 0.32 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.67 3i20 h GLU 97 Cb 0.30 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 3i20 h GLU 97 CO -0.24 0.08 0.04 0.35 -1.00 0.00 0.00 179.01 178.24 3i20 h PHE 98 N 0.13 0.11 -0.82 4.33 3.57 -0.77 -2.71 116.94 120.76 3i20 h PHE 98 Ca 0.08 -0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.78 3i20 h PHE 98 Cb 0.06 -0.03 -0.14 0.00 2.79 0.00 0.00 35.95 38.63 3i20 h PHE 98 CO -0.12 0.18 0.12 0.35 -2.23 0.00 0.00 178.31 176.60 3i20 h PHE 99 N 0.01 0.14 0.00 0.41 3.57 0.70 0.52 116.94 122.29 3i20 h PHE 99 Ca 0.03 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.58 3i20 h PHE 99 Cb 0.11 0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.92 3i20 h PHE 99 CO -0.04 -0.23 0.00 -1.91 -2.23 0.00 0.00 178.31 173.91 3i20 n GLU 100 N -5.29 0.00 0.00 1.11 2.13 0.28 -2.17 120.64 116.70 3i20 n GLU 100 Ca 0.18 0.50 0.00 0.00 0.66 0.00 0.00 57.16 58.49 3i20 n GLU 100 Cb 0.58 -1.46 0.00 0.00 0.27 0.00 0.00 31.44 30.83 3i20 n GLU 100 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 3i20 n ARG 101 N -1.95 0.00 -0.03 5.31 1.85 -0.82 0.47 116.66 121.48 3i20 n ARG 101 Ca 0.00 0.31 -0.13 0.00 -1.00 0.00 0.00 57.85 57.03 3i20 n ARG 101 Cb 0.00 -1.62 -0.11 0.00 -1.05 0.00 0.00 32.46 29.68 3i20 n ARG 101 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 3i20 h LEU 102 N 0.00 -0.01 -0.20 2.89 7.12 0.54 -1.22 115.31 124.42 3i20 h LEU 102 Ca 0.00 -0.70 0.00 0.00 0.13 0.00 0.00 57.88 57.31 3i20 h LEU 102 Cb 0.24 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.37 3i20 h LEU 102 CO 0.00 0.70 -0.75 2.30 -0.13 0.00 0.00 178.44 180.56 3i20 n ILE 103 N -4.75 0.00 -0.11 4.05 -5.35 0.17 -1.10 119.36 112.28 3i20 n ILE 103 Ca -0.09 -0.05 -0.21 0.00 -0.27 0.00 0.00 62.75 62.13 3i20 n ILE 103 Cb 0.35 0.84 -0.10 0.00 -1.74 0.00 0.00 39.64 38.98 3i20 n ILE 103 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 3i20 n THR 104 N -1.20 1.52 0.00 7.28 -1.04 0.18 -4.75 114.28 116.27 3i20 n THR 104 Ca 0.06 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 3i20 n THR 104 Cb 0.36 -2.06 0.00 0.00 -1.82 0.00 0.00 70.33 66.80 3i20 n THR 104 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 3i20 n ILE 105 N -4.43 0.00 -0.12 12.58 -5.35 -1.20 -4.77 119.36 116.07 3i20 n ILE 105 Ca -0.32 -0.04 -0.25 0.00 -0.27 0.00 0.00 62.75 61.87 3i20 n ILE 105 Cb 0.66 0.39 -0.11 0.00 -1.74 0.00 0.00 39.64 38.85 3i20 n ILE 105 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i20 n ALA 106 N -0.33 0.97 -0.13 -1.28 0.00 -0.47 -3.99 120.51 115.28 3i20 n ALA 106 Ca 0.00 -0.76 0.07 0.00 0.00 0.00 0.00 53.44 52.75 3i20 n ALA 106 Cb 0.00 -0.27 0.39 0.00 0.00 0.00 0.00 19.45 19.57 3i20 n ALA 106 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i20 h VAL 107 N -0.96 1.02 -0.43 0.00 2.07 -1.31 -2.55 116.25 114.10 3i20 h VAL 107 Ca -0.50 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 66.82 3i20 h VAL 107 Cb 1.46 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 3i20 h VAL 107 CO -0.29 0.12 0.22 -0.65 0.02 0.00 0.00 177.57 176.99 3i20 h PRO 108 N 0.66 0.43 0.00 1.57 0.11 -1.82 -2.84 132.00 130.12 3i20 h PRO 108 Ca 0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.36 3i20 h PRO 108 Cb 0.24 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.26 3i20 h PRO 108 CO -0.08 0.29 0.00 0.54 -0.21 0.00 0.00 178.00 178.53 3i20 n ARG 109 N -4.90 0.45 -2.52 1.05 3.00 -0.96 -4.73 116.66 108.05 3i20 n ARG 109 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.85 57.44 3i20 n ARG 109 Cb 0.10 -1.26 -0.03 0.00 0.00 0.00 0.00 32.46 31.26 3i20 n ARG 109 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3i20 s ILE 110 N -2.00 4.24 0.00 0.55 1.01 -1.07 -4.63 121.20 119.29 3i20 s ILE 110 Ca 0.11 1.66 0.00 0.00 0.00 0.00 0.00 60.65 62.42 3i20 s ILE 110 Cb 0.05 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.46 3i20 s ILE 110 CO 0.09 0.16 0.00 0.54 0.00 0.00 0.00 174.94 175.73 3i20 n ARG 111 N 3.62 0.00 -0.09 2.79 5.12 -1.26 -0.80 116.66 126.03 3i20 n ARG 111 Ca 0.07 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 56.04 3i20 n ARG 111 Cb 0.48 0.00 0.39 0.00 -1.16 0.00 0.00 32.46 32.17 3i20 n ARG 111 CO 0.00 0.00 0.00 0.38 -1.93 0.00 0.00 177.63 176.08 3i20 h ASP 112 N 0.00 0.57 -4.43 0.55 2.03 -1.92 -3.49 116.42 109.72 3i20 h ASP 112 Ca 0.00 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 3i20 h ASP 112 Cb 0.00 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 38.37 3i20 h ASP 112 CO 0.00 0.39 -0.75 0.33 -1.03 0.00 0.00 179.24 178.18 3i20 n PHE 113 N -4.47 -3.75 -0.08 4.15 7.35 0.02 -4.96 117.46 115.73 3i20 n PHE 113 Ca 0.07 2.24 0.00 0.00 -0.76 0.00 0.00 57.45 59.00 3i20 n PHE 113 Cb 0.15 -3.10 0.00 0.00 0.35 0.00 0.00 39.48 36.88 3i20 n PHE 113 CO 0.00 0.00 0.00 2.89 -0.76 0.00 0.00 176.76 178.89 3i20 n ARG 114 N 1.89 0.46 0.00 -4.13 -4.01 -1.26 -5.10 116.66 104.51 3i20 n ARG 114 Ca 0.00 -0.37 0.00 0.00 -1.04 0.00 0.00 57.85 56.44 3i20 n ARG 114 Cb 0.00 -0.86 0.00 0.00 -3.04 0.00 0.00 32.46 28.56 3i20 n ARG 114 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 3i20 n GLY 115 N 0.17 3.46 3.80 2.89 0.00 -1.26 -4.82 105.19 109.43 3i20 n GLY 115 Ca 0.00 -1.78 -0.29 0.00 0.00 0.00 0.00 46.02 43.94 3i20 n GLY 115 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i20 s LEU 116 N 0.00 2.24 -0.10 0.99 2.01 -1.25 -4.80 118.68 117.78 3i20 s LEU 116 Ca 0.00 1.06 -0.17 0.00 0.01 0.00 0.00 54.13 55.03 3i20 s LEU 116 Cb 0.00 -3.49 -0.05 0.00 0.01 0.00 0.00 46.19 42.66 3i20 s LEU 116 CO 0.00 -2.30 0.45 -0.55 1.01 0.00 0.00 176.35 174.96 3i20 s SER 117 N -4.04 6.69 -0.10 2.29 0.15 -1.26 -2.19 113.70 115.24 3i20 s SER 117 Ca 0.63 0.82 0.09 0.00 0.70 0.00 0.00 55.95 58.19 3i20 s SER 117 Cb -0.14 -2.27 0.45 0.00 -1.71 0.00 0.00 66.02 62.34 3i20 s SER 117 CO 0.53 0.08 1.23 0.00 1.20 0.00 0.00 173.24 176.28 3i20 n ALA 118 N 3.28 3.10 0.56 5.45 0.00 -1.26 -3.63 120.51 128.01 3i20 n ALA 118 Ca -0.09 -1.01 0.06 0.00 0.00 0.00 0.00 53.44 52.40 3i20 n ALA 118 Cb 0.52 -1.05 -0.04 0.00 0.00 0.00 0.00 19.45 18.88 3i20 n ALA 118 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i20 n LYS 119 N 0.44 2.59 -1.62 0.00 5.02 -1.26 -4.75 118.16 118.57 3i20 n LYS 119 Ca 0.15 -0.29 -0.42 0.00 -2.02 0.00 0.00 58.31 55.74 3i20 n LYS 119 Cb 0.69 -1.10 -0.01 0.00 -0.02 0.00 0.00 35.03 34.59 3i20 n LYS 119 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3i20 n SER 120 N -0.83 3.94 -3.98 4.39 7.64 -1.24 -4.87 113.62 118.68 3i20 n SER 120 Ca 0.03 -2.80 -0.22 0.00 1.01 0.00 0.00 58.87 56.89 3i20 n SER 120 Cb 0.22 -1.58 -0.16 0.00 -1.01 0.00 0.00 64.21 61.68 3i20 n SER 120 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3i20 s PHE 121 N 3.39 1.13 -2.00 1.43 0.08 -1.26 -4.15 117.98 116.61 3i20 s PHE 121 Ca 0.49 -0.37 0.09 0.00 0.12 0.00 0.00 56.93 57.26 3i20 s PHE 121 Cb 0.14 -0.87 0.54 0.00 -0.57 0.00 0.00 43.02 42.26 3i20 s PHE 121 CO -0.06 -0.22 0.96 -0.40 -0.10 0.00 0.00 175.22 175.40 3i20 n ASP 122 N 3.81 0.00 0.00 1.36 5.75 -1.03 -4.77 116.55 121.68 3i20 n ASP 122 Ca -0.23 -0.55 0.00 0.00 -0.01 0.00 0.00 54.79 54.00 3i20 n ASP 122 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 3i20 n ASP 122 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i20 n GLY 123 N -0.14 0.63 2.65 6.12 0.00 -1.26 -4.91 105.19 108.28 3i20 n GLY 123 Ca 0.07 -0.50 -0.01 0.00 0.00 0.00 0.00 46.02 45.57 3i20 n GLY 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i20 n ARG 124 N -2.63 1.42 -3.30 1.61 1.74 -1.26 -4.30 116.66 109.94 3i20 n ARG 124 Ca 0.00 -2.00 -0.16 0.00 -0.77 0.00 0.00 57.85 54.93 3i20 n ARG 124 Cb 0.00 -0.27 0.08 0.00 -1.02 0.00 0.00 32.46 31.25 3i20 n ARG 124 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i20 n GLY 125 N -1.14 -0.34 3.05 -0.13 0.00 -1.23 -4.67 105.19 100.73 3i20 n GLY 125 Ca -0.09 0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 3i20 n GLY 125 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i20 s ASN 126 N -4.19 0.07 0.00 1.61 0.01 -1.26 -3.01 114.94 108.17 3i20 s ASN 126 Ca 0.03 -0.24 0.00 0.00 -0.71 0.00 0.00 52.86 51.94 3i20 s ASN 126 Cb -0.00 0.18 0.00 0.00 0.41 0.00 0.00 41.25 41.83 3i20 s ASN 126 CO 0.67 -0.30 0.00 0.00 -1.51 0.00 0.00 177.10 175.96 3i20 n TYR 127 N 1.71 0.00 -0.87 2.20 9.36 -0.41 -2.46 117.16 126.69 3i20 n TYR 127 Ca -0.22 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.00 3i20 n TYR 127 Cb 0.56 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.27 3i20 n TYR 127 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 3i20 n SER 128 N -0.57 -2.53 -4.03 2.98 7.64 -1.26 -3.99 113.62 111.86 3i20 n SER 128 Ca 0.00 0.12 -0.10 0.00 1.01 0.00 0.00 58.87 59.90 3i20 n SER 128 Cb 0.00 -1.30 -0.07 0.00 -1.01 0.00 0.00 64.21 61.83 3i20 n SER 128 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i20 s MET 129 N -2.33 1.35 0.26 1.43 0.23 -0.33 -4.78 119.30 115.13 3i20 s MET 129 Ca 0.00 -1.31 0.09 0.00 -1.03 0.00 0.00 55.69 53.45 3i20 s MET 129 Cb 0.00 0.40 -0.05 0.00 -1.53 0.00 0.00 34.83 33.65 3i20 s MET 129 CO 0.00 -0.52 -0.14 0.20 -2.03 0.00 0.00 175.02 172.53 3i20 s GLY 130 N -3.03 1.76 0.00 3.16 0.00 -1.26 -2.14 107.32 105.81 3i20 s GLY 130 Ca 0.24 -1.84 0.01 0.00 0.00 0.00 0.00 44.72 43.14 3i20 s GLY 130 CO 0.07 -1.88 0.19 3.33 0.00 0.00 0.00 173.10 174.81 3i20 n VAL 131 N -0.55 0.00 -3.02 1.40 0.24 0.86 -4.97 118.33 112.28 3i20 n VAL 131 Ca -0.06 -0.48 -0.19 0.00 -2.04 0.00 0.00 64.34 61.57 3i20 n VAL 131 Cb 0.61 1.01 0.01 0.00 -1.47 0.00 0.00 33.84 34.00 3i20 n VAL 131 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3i20 n ARG 132 N -0.73 -1.06 -0.44 7.34 1.74 -1.25 -4.40 116.66 117.86 3i20 n ARG 132 Ca 0.00 0.63 0.00 0.00 -0.77 0.00 0.00 57.85 57.72 3i20 n ARG 132 Cb 0.02 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 3i20 n ARG 132 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3i20 n GLU 133 N -1.14 0.00 0.00 5.56 2.13 -1.26 -4.90 120.64 121.03 3i20 n GLU 133 Ca -0.15 0.19 0.00 0.00 0.66 0.00 0.00 57.16 57.86 3i20 n GLU 133 Cb 0.43 -0.26 0.00 0.00 0.27 0.00 0.00 31.44 31.89 3i20 n GLU 133 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i20 n GLN 134 N 1.42 0.00 0.00 5.31 0.00 -1.22 -4.37 117.38 118.51 3i20 n GLN 134 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 3i20 n GLN 134 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3i20 n GLN 134 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 3i20 n ILE 135 N 0.00 0.00 0.25 -0.39 5.41 -1.26 -4.06 119.36 119.31 3i20 n ILE 135 Ca 0.00 0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.87 3i20 n ILE 135 Cb 0.00 0.00 0.51 0.00 -0.71 0.00 0.00 39.64 39.44 3i20 n ILE 135 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 176.55 176.71 3i20 h ILE 136 N 0.00 0.05 -3.45 1.39 3.07 -1.82 -3.34 117.51 113.40 3i20 h ILE 136 Ca 0.00 0.00 -0.60 0.00 1.55 0.00 0.00 64.86 65.81 3i20 h ILE 136 Cb 0.00 0.38 -0.11 0.00 -0.27 0.00 0.00 36.82 36.83 3i20 h ILE 136 CO 0.00 0.00 0.17 -0.36 -1.05 0.00 0.00 178.15 176.91 3i20 s PHE 137 N -4.16 3.31 0.53 0.16 0.08 -1.26 -4.17 117.98 112.48 3i20 s PHE 137 Ca -0.02 0.87 0.19 0.00 0.12 0.00 0.00 56.93 58.08 3i20 s PHE 137 Cb 0.07 -2.84 1.37 0.00 -0.57 0.00 0.00 43.02 41.05 3i20 s PHE 137 CO 0.24 -0.29 2.17 -1.35 -0.10 0.00 0.00 175.22 175.88 3i20 h PRO 138 N 7.78 0.00 0.00 0.24 0.11 -1.91 -2.63 132.00 135.58 3i20 h PRO 138 Ca -0.28 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.79 3i20 h PRO 138 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3i20 h PRO 138 CO 0.78 0.00 -0.22 0.93 -0.21 0.00 0.00 178.00 179.28 3i20 h GLU 139 N 0.00 0.00 -6.34 1.05 3.07 -1.91 -3.40 114.58 107.05 3i20 h GLU 139 Ca 0.00 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.29 3i20 h GLU 139 Cb 0.01 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.88 3i20 h GLU 139 CO -0.00 0.22 1.15 0.42 -1.40 0.00 0.00 179.01 179.40 3i20 s ILE 140 N -4.34 3.70 -0.44 3.13 1.09 -0.99 -4.95 121.20 118.39 3i20 s ILE 140 Ca -0.03 0.75 -0.28 0.00 -1.10 0.00 0.00 60.65 59.99 3i20 s ILE 140 Cb 0.14 -3.82 -0.00 0.00 -1.06 0.00 0.00 42.46 37.72 3i20 s ILE 140 CO 0.67 -0.44 1.59 -0.62 -0.10 0.00 0.00 174.94 176.03 3i20 s ASP 141 N 4.65 6.03 0.53 3.58 2.15 -1.26 -4.88 116.67 127.46 3i20 s ASP 141 Ca 0.71 0.80 0.22 0.00 0.43 0.00 0.00 52.55 54.71 3i20 s ASP 141 Cb -0.21 -2.54 1.35 0.00 -0.30 0.00 0.00 42.92 41.23 3i20 s ASP 141 CO 0.31 -1.69 2.05 0.22 -0.17 0.00 0.00 175.17 175.89 3i20 h TYR 142 N 11.96 0.00 0.00 -5.34 3.20 -1.92 0.28 116.97 125.15 3i20 h TYR 142 Ca -0.29 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.58 3i20 h TYR 142 Cb 1.13 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.40 3i20 h TYR 142 CO 0.99 0.00 0.00 -0.25 -1.64 0.00 0.00 178.16 177.26 3i20 n ASP 143 N -4.43 0.00 -0.41 -2.11 8.00 -1.26 -2.90 116.55 113.44 3i20 n ASP 143 Ca 0.05 0.11 0.04 0.00 0.71 0.00 0.00 54.79 55.70 3i20 n ASP 143 Cb 0.41 -0.36 0.08 0.00 -0.02 0.00 0.00 41.12 41.23 3i20 n ASP 143 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3i20 n LYS 144 N -1.36 1.68 -0.56 -1.24 4.76 0.93 -5.04 118.16 117.33 3i20 n LYS 144 Ca 0.11 -1.50 -0.30 0.00 -2.87 0.00 0.00 58.31 53.76 3i20 n LYS 144 Cb 0.26 -1.18 0.22 0.00 -1.84 0.00 0.00 35.03 32.49 3i20 n LYS 144 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 3i20 n VAL 145 N 0.34 0.00 -1.29 -0.18 0.24 -1.00 -4.98 118.33 111.46 3i20 n VAL 145 Ca 0.07 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 3i20 n VAL 145 Cb 0.30 -0.99 0.00 0.00 -1.47 0.00 0.00 33.84 31.68 3i20 n VAL 145 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3i20 n ASP 146 N -4.59 0.00 0.00 -1.34 9.92 -1.26 -5.10 116.55 114.18 3i20 n ASP 146 Ca 0.07 -1.00 0.00 0.00 -0.53 0.00 0.00 54.79 53.33 3i20 n ASP 146 Cb 0.53 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.01 3i20 n ASP 146 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 3i20 n ARG 147 N 0.00 0.00 0.10 -1.24 3.00 -1.26 -5.01 116.66 112.25 3i20 n ARG 147 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.84 3i20 n ARG 147 Cb 0.40 0.00 0.25 0.00 0.00 0.00 0.00 32.46 33.12 3i20 n ARG 147 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.63 177.24 3i20 h VAL 148 N 3.22 1.28 0.00 5.15 -1.51 -2.01 -3.45 116.25 118.94 3i20 h VAL 148 Ca 0.00 -1.38 0.00 0.00 -1.23 0.00 0.00 66.70 64.09 3i20 h VAL 148 Cb 0.00 1.59 0.00 0.00 -2.13 0.00 0.00 31.29 30.75 3i20 h VAL 148 CO 0.00 0.41 0.00 -1.14 -1.23 0.00 0.00 177.57 175.61 3i20 n ARG 149 N -4.07 0.00 -0.06 5.19 0.63 -1.26 -3.46 116.66 113.62 3i20 n ARG 149 Ca -0.01 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.93 3i20 n ARG 149 Cb 0.44 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 33.34 3i20 n ARG 149 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i20 n GLY 150 N 0.00 -2.26 3.40 5.14 0.00 -1.26 -4.50 105.19 105.71 3i20 n GLY 150 Ca 0.00 -1.46 -0.14 0.00 0.00 0.00 0.00 46.02 44.42 3i20 n GLY 150 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i20 s LEU 151 N -4.70 1.05 -0.09 0.99 0.05 -1.26 -4.78 118.68 109.93 3i20 s LEU 151 Ca 0.00 -1.41 -0.03 0.00 0.05 0.00 0.00 54.13 52.74 3i20 s LEU 151 Cb 0.00 1.11 0.04 0.00 -2.05 0.00 0.00 46.19 45.29 3i20 s LEU 151 CO 0.00 -1.12 0.07 1.51 -0.55 0.00 0.00 176.35 176.26 3i20 s ASP 152 N -3.20 1.61 0.29 1.48 3.84 -1.04 -0.10 116.67 119.54 3i20 s ASP 152 Ca 0.33 -0.18 0.01 0.00 -0.00 0.00 0.00 52.55 52.70 3i20 s ASP 152 Cb 0.02 -0.20 -0.04 0.00 -1.38 0.00 0.00 42.92 41.32 3i20 s ASP 152 CO 0.18 -0.28 0.48 0.27 -0.00 0.00 0.00 175.17 175.81 3i20 s ILE 153 N 2.14 5.15 -0.08 2.11 -5.25 -0.91 -2.30 121.20 122.07 3i20 s ILE 153 Ca 0.04 -0.50 -0.08 0.00 -0.99 0.00 0.00 60.65 59.13 3i20 s ILE 153 Cb -0.13 -3.82 0.02 0.00 2.95 0.00 0.00 42.46 41.47 3i20 s ILE 153 CO -0.05 -0.41 0.21 0.42 -1.79 0.00 0.00 174.94 173.32 3i20 s THR 154 N -2.13 0.00 -0.19 8.37 -4.23 -0.13 -1.19 115.64 116.15 3i20 s THR 154 Ca 0.39 -0.03 -0.07 0.00 -1.18 0.00 0.00 61.69 60.80 3i20 s THR 154 Cb -0.10 -0.31 -0.04 0.00 1.34 0.00 0.00 72.50 73.39 3i20 s THR 154 CO 0.33 -0.02 0.05 -0.63 -0.54 0.00 0.00 174.62 173.81 3i20 s ILE 155 N 0.04 4.58 -0.28 2.99 1.01 -1.26 -1.82 121.20 126.46 3i20 s ILE 155 Ca -0.01 -0.10 -0.06 0.00 0.00 0.00 0.00 60.65 60.48 3i20 s ILE 155 Cb -0.02 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.39 3i20 s ILE 155 CO 0.00 0.45 0.05 -0.89 0.00 0.00 0.00 174.94 174.55 3i20 s THR 156 N 0.56 3.84 0.24 2.92 2.01 0.10 -1.28 115.64 124.03 3i20 s THR 156 Ca 0.02 -0.64 0.11 0.00 0.31 0.00 0.00 61.69 61.49 3i20 s THR 156 Cb -0.13 -2.93 -0.05 0.00 0.01 0.00 0.00 72.50 69.40 3i20 s THR 156 CO 0.01 0.16 -0.19 0.42 -0.69 0.00 0.00 174.62 174.34 3i20 s THR 157 N 1.50 2.21 -2.09 -0.82 -4.23 -1.16 0.04 115.64 111.08 3i20 s THR 157 Ca 0.03 -2.27 0.15 0.00 -1.18 0.00 0.00 61.69 58.42 3i20 s THR 157 Cb -0.17 -2.17 0.39 0.00 1.34 0.00 0.00 72.50 71.89 3i20 s THR 157 CO 0.01 -0.41 1.48 0.35 -0.54 0.00 0.00 174.62 175.51 3i20 n THR 158 N -0.37 0.13 -1.59 3.99 -2.24 -1.15 -4.76 114.28 108.29 3i20 n THR 158 Ca -0.07 -0.18 -0.37 0.00 -2.27 0.00 0.00 64.05 61.16 3i20 n THR 158 Cb 0.59 0.05 0.07 0.00 -2.10 0.00 0.00 70.33 68.94 3i20 n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i20 n ALA 159 N -0.19 0.56 -0.09 6.98 0.00 -1.26 -4.80 120.51 121.70 3i20 n ALA 159 Ca 0.12 -0.06 -0.15 0.00 0.00 0.00 0.00 53.44 53.35 3i20 n ALA 159 Cb 0.17 -2.22 -0.08 0.00 0.00 0.00 0.00 19.45 17.32 3i20 n ALA 159 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3i20 h LYS 160 N 0.26 0.00 -6.42 0.00 6.56 -1.90 -3.39 116.57 111.69 3i20 h LYS 160 Ca -0.49 0.00 -0.50 0.00 -1.06 0.00 0.00 60.65 58.60 3i20 h LYS 160 Cb 1.34 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 33.00 3i20 h LYS 160 CO 0.51 0.65 -0.23 -1.54 -2.06 0.00 0.00 179.45 176.78 3i20 s SER 161 N -6.41 6.35 0.44 0.86 1.04 -1.26 -4.19 113.70 110.53 3i20 s SER 161 Ca -0.23 0.47 0.24 0.00 0.48 0.00 0.00 55.95 56.92 3i20 s SER 161 Cb 0.04 -2.04 0.63 0.00 0.10 0.00 0.00 66.02 64.74 3i20 s SER 161 CO 0.46 -0.20 1.70 -2.24 0.98 0.00 0.00 173.24 173.94 3i20 h ASP 162 N 1.29 0.00 -0.91 7.02 3.04 -1.86 -1.29 116.42 123.71 3i20 h ASP 162 Ca -0.49 0.00 0.14 0.00 -3.24 0.00 0.00 57.03 53.44 3i20 h ASP 162 Cb 1.21 0.00 -0.14 0.00 -1.04 0.00 0.00 39.33 39.35 3i20 h ASP 162 CO 0.64 0.13 -0.37 1.21 -2.04 0.00 0.00 179.24 178.81 3i20 n GLU 163 N -3.17 -0.23 -0.00 4.15 4.07 -1.26 0.47 120.64 124.67 3i20 n GLU 163 Ca 0.02 1.40 -0.10 0.00 -0.06 0.00 0.00 57.16 58.43 3i20 n GLU 163 Cb 0.50 -2.08 -0.08 0.00 -0.06 0.00 0.00 31.44 29.72 3i20 n GLU 163 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 3i20 h GLU 164 N 0.00 -0.10 -0.85 5.31 5.08 -1.86 -3.17 114.58 118.99 3i20 h GLU 164 Ca 0.31 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.84 3i20 h GLU 164 Cb 0.53 0.02 -0.16 0.00 0.50 0.00 0.00 28.75 29.65 3i20 h GLU 164 CO -0.90 0.43 -0.24 0.78 -1.00 0.00 0.00 179.01 178.08 3i20 h GLY 165 N -0.91 0.53 0.09 -3.84 0.00 -0.96 0.92 103.07 98.89 3i20 h GLY 165 Ca -0.01 0.31 0.04 0.00 0.00 0.00 0.00 47.33 47.67 3i20 h GLY 165 CO 0.02 -0.31 -0.42 -0.09 0.00 0.00 0.00 176.54 175.73 3i20 h ARG 166 N -0.01 -0.52 -0.84 4.80 2.43 -0.05 0.43 114.38 120.62 3i20 h ARG 166 Ca 0.40 0.04 0.20 0.00 -0.81 0.00 0.00 59.98 59.80 3i20 h ARG 166 Cb 0.62 0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 30.23 3i20 h ARG 166 CO -0.88 -0.35 0.57 0.00 -1.51 0.00 0.00 179.97 177.80 3i20 h ALA 167 N 0.02 2.30 0.79 2.80 0.00 -1.14 0.40 119.26 124.42 3i20 h ALA 167 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3i20 h ALA 167 Cb 0.64 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.42 3i20 h ALA 167 CO -0.35 -0.55 -0.40 1.25 0.00 0.00 0.00 179.25 179.20 3i20 h LEU 168 N 0.32 -0.95 -1.49 0.00 5.85 0.22 -1.59 115.31 117.67 3i20 h LEU 168 Ca 0.43 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.18 3i20 h LEU 168 Cb 1.17 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.42 3i20 h LEU 168 CO -0.13 -0.66 0.30 -0.07 -0.34 0.00 0.00 178.44 177.54 3i20 h LEU 169 N -1.08 0.56 -2.23 2.25 4.07 -0.63 -1.89 115.31 116.35 3i20 h LEU 169 Ca -0.11 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.83 3i20 h LEU 169 Cb 0.83 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 42.43 3i20 h LEU 169 CO 0.17 0.42 -0.00 0.00 -1.08 0.00 0.00 178.44 177.95 3i20 h ALA 170 N 1.68 1.75 -0.07 1.53 0.00 0.05 -1.59 119.26 122.62 3i20 h ALA 170 Ca 0.17 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 3i20 h ALA 170 Cb -0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3i20 h ALA 170 CO -0.04 0.00 -0.60 0.00 0.00 0.00 0.00 179.25 178.62 3i20 h ALA 171 N 2.00 0.86 -2.14 0.00 0.00 -0.43 -3.41 119.26 116.13 3i20 h ALA 171 Ca -0.00 -0.54 -0.46 0.00 0.00 0.00 0.00 54.91 53.91 3i20 h ALA 171 Cb 0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3i20 h ALA 171 CO 0.00 0.72 0.33 -0.06 0.00 0.00 0.00 179.25 180.24 3i20 s PHE 172 N -3.77 3.38 0.29 0.00 0.40 -0.60 -4.91 117.98 112.77 3i20 s PHE 172 Ca -0.04 1.50 0.15 0.00 -0.60 0.00 0.00 56.93 57.94 3i20 s PHE 172 Cb 0.12 -2.79 1.02 0.00 0.51 0.00 0.00 43.02 41.88 3i20 s PHE 172 CO 0.80 -0.20 1.27 -0.25 0.70 0.00 0.00 175.22 177.54 3i20 n ASP 173 N -1.03 0.23 0.00 1.36 8.00 -1.26 -4.78 116.55 119.07 3i20 n ASP 173 Ca 0.06 1.34 0.00 0.00 0.71 0.00 0.00 54.79 56.91 3i20 n ASP 173 Cb 0.54 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 3i20 n ASP 173 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3i20 n PHE 174 N -4.87 0.00 0.00 1.24 -0.00 -1.26 -4.80 117.46 107.78 3i20 n PHE 174 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.74 3i20 n PHE 174 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.46 3i20 n PHE 174 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 3i20 n PRO 175 N 0.31 0.00 -0.72 -7.13 -0.02 -1.26 -4.79 135.00 121.39 3i20 n PRO 175 Ca 0.00 0.18 0.10 0.00 -2.02 0.00 0.00 63.50 61.76 3i20 n PRO 175 Cb 0.00 -0.52 -0.02 0.00 -0.02 0.00 0.00 33.50 32.94 3i20 n PRO 175 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3i20 n PHE 176 N -0.45 -2.73 0.52 6.00 3.01 -1.25 -4.83 117.46 117.73 3i20 n PHE 176 Ca 0.00 0.89 0.04 0.00 1.01 0.00 0.00 57.45 59.39 3i20 n PHE 176 Cb 0.00 -1.59 0.25 0.00 -0.01 0.00 0.00 39.48 38.13 3i20 n PHE 176 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64