#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i20 n GLU 2 N 0.00 0.57 -2.05 0.03 1.02 -1.26 -4.34 120.64 114.61 3i20 n GLU 2 Ca 0.00 0.42 -0.00 0.00 -0.02 0.00 0.00 57.16 57.56 3i20 n GLU 2 Cb 0.00 -1.62 -0.00 0.00 -0.02 0.00 0.00 31.44 29.80 3i20 n GLU 2 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 3i20 n THR 3 N -4.35 -0.88 -4.50 2.62 5.66 -1.26 -3.42 114.28 108.15 3i20 n THR 3 Ca -0.42 0.20 -0.23 0.00 -3.05 0.00 0.00 64.05 60.55 3i20 n THR 3 Cb 0.76 -1.82 -0.11 0.00 -1.55 0.00 0.00 70.33 67.62 3i20 n THR 3 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 3i20 s ILE 4 N -0.04 1.46 0.05 1.09 -4.36 -1.26 -2.95 121.20 115.19 3i20 s ILE 4 Ca -0.00 -2.01 -0.01 0.00 -0.26 0.00 0.00 60.65 58.38 3i20 s ILE 4 Cb 0.00 -2.84 -0.04 0.00 1.25 0.00 0.00 42.46 40.83 3i20 s ILE 4 CO 0.00 -0.01 -0.03 0.00 0.24 0.00 0.00 174.94 175.13 3i20 s ALA 5 N -3.10 0.49 -0.27 2.27 0.00 -0.29 -4.85 121.76 116.01 3i20 s ALA 5 Ca 0.36 -1.14 -0.25 0.00 0.00 0.00 0.00 51.96 50.93 3i20 s ALA 5 Cb 0.09 0.25 0.08 0.00 0.00 0.00 0.00 23.12 23.53 3i20 s ALA 5 CO 0.16 -0.33 0.76 -1.59 0.00 0.00 0.00 175.76 174.76 3i20 s LYS 6 N -3.58 0.79 -0.31 0.00 -2.85 -1.26 -0.75 119.74 111.78 3i20 s LYS 6 Ca 0.04 0.95 -0.06 0.00 -1.00 0.00 0.00 55.97 55.90 3i20 s LYS 6 Cb 0.05 0.38 0.02 0.00 -2.06 0.00 0.00 37.83 36.23 3i20 s LYS 6 CO -0.08 -0.10 0.09 -1.58 0.10 0.00 0.00 175.35 173.78 3i20 s HIS 7 N 0.38 3.19 0.18 1.78 5.65 -0.51 -4.96 115.29 120.98 3i20 s HIS 7 Ca 0.00 -1.17 -0.05 0.00 0.25 0.00 0.00 55.06 54.09 3i20 s HIS 7 Cb -0.05 -2.26 -0.06 0.00 -1.18 0.00 0.00 32.58 29.04 3i20 s HIS 7 CO -0.00 -0.64 0.42 1.03 -0.65 0.00 0.00 174.74 174.90 3i20 s ARG 8 N 1.46 3.64 -1.44 2.88 0.52 -1.26 -0.66 118.95 124.09 3i20 s ARG 8 Ca 0.01 -0.04 -0.04 0.00 -0.52 0.00 0.00 55.73 55.15 3i20 s ARG 8 Cb -0.18 -2.79 0.02 0.00 0.52 0.00 0.00 34.95 32.52 3i20 s ARG 8 CO 0.02 0.41 0.33 0.72 0.02 0.00 0.00 175.30 176.80 3i20 n HIS 9 N -0.11 -1.62 -1.78 -0.53 8.25 -1.17 -4.93 115.22 113.33 3i20 n HIS 9 Ca -0.02 0.29 -0.40 0.00 -0.26 0.00 0.00 57.72 57.33 3i20 n HIS 9 Cb 0.52 -3.68 0.01 0.00 1.12 0.00 0.00 29.99 27.96 3i20 n HIS 9 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i20 s ALA 10 N -2.98 3.41 -0.90 -1.41 0.00 0.30 -4.67 121.76 115.51 3i20 s ALA 10 Ca 0.20 1.54 -0.03 0.00 0.00 0.00 0.00 51.96 53.67 3i20 s ALA 10 Cb -0.10 -3.61 0.23 0.00 0.00 0.00 0.00 23.12 19.64 3i20 s ALA 10 CO 0.25 -1.15 2.23 0.54 0.00 0.00 0.00 175.76 177.62 3i20 n ARG 11 N 0.12 3.76 -1.81 0.00 1.74 -1.26 0.13 116.66 119.34 3i20 n ARG 11 Ca 0.03 -3.53 0.00 0.00 -0.77 0.00 0.00 57.85 53.58 3i20 n ARG 11 Cb 0.40 -2.37 0.00 0.00 -1.02 0.00 0.00 32.46 29.48 3i20 n ARG 11 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3i20 n SER 12 N 0.38 1.77 -0.07 0.55 2.88 -1.26 -4.98 113.62 112.89 3i20 n SER 12 Ca 0.53 -0.90 -0.08 0.00 -1.33 0.00 0.00 58.87 57.09 3i20 n SER 12 Cb 0.32 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.73 3i20 n SER 12 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3i20 h SER 13 N 0.00 0.00 0.00 -3.46 4.64 -1.87 -2.75 113.55 110.11 3i20 h SER 13 Ca 0.00 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3i20 h SER 13 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3i20 h SER 13 CO 0.00 0.84 0.00 0.00 -0.87 0.00 0.00 176.83 176.80 3i20 n ALA 14 N -3.15 0.00 -0.28 5.18 0.00 -1.26 -4.28 120.51 116.72 3i20 n ALA 14 Ca -0.10 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.43 3i20 n ALA 14 Cb 0.28 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.95 3i20 n ALA 14 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3i20 h GLN 15 N 0.00 0.11 -0.27 0.00 4.15 -1.95 0.60 115.11 117.75 3i20 h GLN 15 Ca 0.00 -0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.29 3i20 h GLN 15 Cb 0.00 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.66 3i20 h GLN 15 CO 0.00 0.07 -0.33 0.87 -1.93 0.00 0.00 178.83 177.52 3i20 h LYS 16 N 0.12 0.70 0.00 1.69 1.57 -1.97 -3.34 116.57 115.33 3i20 h LYS 16 Ca 0.48 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3i20 h LYS 16 Cb 0.91 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.24 3i20 h LYS 16 CO -0.71 1.01 0.00 0.28 -0.57 0.00 0.00 179.45 179.46 3i20 n VAL 17 N -4.24 0.00 -1.55 0.50 0.31 0.52 -3.93 118.33 109.94 3i20 n VAL 17 Ca -0.04 1.48 -0.29 0.00 -0.01 0.00 0.00 64.34 65.48 3i20 n VAL 17 Cb 0.50 -2.43 -0.06 0.00 -0.91 0.00 0.00 33.84 30.94 3i20 n VAL 17 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i20 n ARG 18 N -2.03 0.76 0.00 5.55 1.74 0.18 -0.37 116.66 122.48 3i20 n ARG 18 Ca 0.00 -0.27 0.00 0.00 -0.77 0.00 0.00 57.85 56.81 3i20 n ARG 18 Cb 0.00 -3.27 0.00 0.00 -1.02 0.00 0.00 32.46 28.17 3i20 n ARG 18 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3i20 n LEU 19 N 15.95 0.00 0.14 0.55 7.94 -1.26 -4.72 117.00 135.60 3i20 n LEU 19 Ca 0.44 0.00 -0.23 0.00 -1.11 0.00 0.00 56.01 55.10 3i20 n LEU 19 Cb 0.45 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 44.25 3i20 n LEU 19 CO 0.69 0.00 -0.20 0.58 -1.11 0.00 0.00 177.39 177.35 3i20 h VAL 20 N 0.00 1.31 0.00 1.96 2.07 -0.83 -3.32 116.25 117.45 3i20 h VAL 20 Ca 0.00 -2.75 -0.00 0.00 0.82 0.00 0.00 66.70 64.77 3i20 h VAL 20 Cb 0.00 3.02 -0.00 0.00 -1.52 0.00 0.00 31.29 32.79 3i20 h VAL 20 CO 0.00 0.82 -0.02 0.00 0.02 0.00 0.00 177.57 178.39 3i20 h ALA 21 N 0.22 1.33 -0.08 1.67 0.00 -1.63 0.40 119.26 121.17 3i20 h ALA 21 Ca -0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3i20 h ALA 21 Cb 2.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.93 3i20 h ALA 21 CO 0.27 0.02 0.00 -0.25 0.00 0.00 0.00 179.25 179.29 3i20 n ASP 22 N -3.59 1.72 0.04 0.00 8.00 -1.25 -2.82 116.55 118.66 3i20 n ASP 22 Ca -0.03 -1.62 0.11 0.00 0.71 0.00 0.00 54.79 53.96 3i20 n ASP 22 Cb 0.11 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 3i20 n ASP 22 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3i20 n LEU 23 N 0.35 0.59 -0.08 0.64 4.77 0.13 -4.42 117.00 118.98 3i20 n LEU 23 Ca 0.18 0.07 -0.11 0.00 -0.03 0.00 0.00 56.01 56.11 3i20 n LEU 23 Cb 0.37 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.30 3i20 n LEU 23 CO 0.15 -0.02 -1.04 -0.38 -1.33 0.00 0.00 177.39 174.77 3i20 n ILE 24 N -2.16 0.95 -1.31 -0.08 2.08 -1.22 -4.91 119.36 112.71 3i20 n ILE 24 Ca 0.01 -0.37 -0.51 0.00 0.56 0.00 0.00 62.75 62.44 3i20 n ILE 24 Cb 0.48 -1.08 -0.07 0.00 -0.75 0.00 0.00 39.64 38.21 3i20 n ILE 24 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 3i20 n ARG 25 N -2.98 0.00 -1.00 0.38 0.63 -1.13 -0.76 116.66 111.81 3i20 n ARG 25 Ca -0.29 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.64 3i20 n ARG 25 Cb 0.82 -1.14 0.00 0.00 0.45 0.00 0.00 32.46 32.59 3i20 n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i20 n GLY 26 N 2.90 0.72 3.92 5.14 0.00 0.11 -5.01 105.19 112.96 3i20 n GLY 26 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 3i20 n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i20 s LYS 27 N -0.01 2.93 -0.03 1.61 -0.14 0.06 -4.78 119.74 119.38 3i20 s LYS 27 Ca 0.00 0.00 -0.30 0.00 -1.36 0.00 0.00 55.97 54.31 3i20 s LYS 27 Cb 0.00 -2.27 -0.05 0.00 -1.68 0.00 0.00 37.83 33.82 3i20 s LYS 27 CO 0.00 -0.69 1.53 0.15 -0.76 0.00 0.00 175.35 175.58 3i20 s LYS 28 N -4.99 4.22 0.13 1.68 1.02 -1.26 -1.16 119.74 119.38 3i20 s LYS 28 Ca 0.54 2.08 -0.04 0.00 0.02 0.00 0.00 55.97 58.56 3i20 s LYS 28 Cb -0.11 -3.77 0.21 0.00 -0.52 0.00 0.00 37.83 33.64 3i20 s LYS 28 CO 0.45 -0.73 0.75 0.28 -0.92 0.00 0.00 175.35 175.18 3i20 n VAL 29 N 5.10 -0.21 -0.03 3.17 0.31 0.35 -0.39 118.33 126.63 3i20 n VAL 29 Ca 0.15 1.11 -0.12 0.00 -0.01 0.00 0.00 64.34 65.47 3i20 n VAL 29 Cb 0.43 -1.52 -0.08 0.00 -0.91 0.00 0.00 33.84 31.76 3i20 n VAL 29 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 3i20 h SER 30 N 0.00 -1.39 -0.86 4.52 0.87 -1.88 -2.56 113.55 112.26 3i20 h SER 30 Ca 0.22 0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.94 3i20 h SER 30 Cb 0.34 0.55 -0.04 0.00 -0.44 0.00 0.00 62.40 62.81 3i20 h SER 30 CO -0.49 -0.37 0.51 -0.61 -0.53 0.00 0.00 176.83 175.34 3i20 h GLN 31 N -0.43 1.17 -0.49 2.24 4.15 -1.10 -2.31 115.11 118.34 3i20 h GLN 31 Ca 0.03 -0.11 0.09 0.00 0.77 0.00 0.00 58.65 59.43 3i20 h GLN 31 Cb 0.53 -0.24 -0.10 0.00 0.21 0.00 0.00 27.48 27.87 3i20 h GLN 31 CO -0.37 0.83 -0.38 0.00 -1.93 0.00 0.00 178.83 176.98 3i20 h ALA 32 N 1.28 -0.24 -0.58 3.38 0.00 -1.11 0.69 119.26 122.68 3i20 h ALA 32 Ca 0.31 0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.45 3i20 h ALA 32 Cb -0.04 0.83 -0.10 0.00 0.00 0.00 0.00 17.79 18.47 3i20 h ALA 32 CO -0.06 -0.77 -0.08 -0.07 0.00 0.00 0.00 179.25 178.27 3i20 h LEU 33 N -0.24 -0.42 0.07 0.00 -0.00 -1.02 0.28 115.31 113.98 3i20 h LEU 33 Ca 0.18 0.16 0.00 0.00 -0.00 0.00 0.00 57.88 58.22 3i20 h LEU 33 Cb 0.56 0.31 -0.01 0.00 -0.00 0.00 0.00 40.66 41.52 3i20 h LEU 33 CO -0.62 -0.16 -0.18 0.44 -0.00 0.00 0.00 178.44 177.93 3i20 h ASP 34 N 0.05 -0.53 -0.62 -0.43 3.45 -0.75 0.27 116.42 117.86 3i20 h ASP 34 Ca 0.29 0.05 0.06 0.00 0.43 0.00 0.00 57.03 57.86 3i20 h ASP 34 Cb 0.45 0.19 -0.08 0.00 -0.56 0.00 0.00 39.33 39.33 3i20 h ASP 34 CO -0.55 -0.20 -0.44 0.40 -1.57 0.00 0.00 179.24 176.89 3i20 h ILE 35 N -0.28 0.00 -1.11 0.35 2.04 -0.75 0.70 117.51 118.46 3i20 h ILE 35 Ca -0.01 0.00 0.38 0.00 1.00 0.00 0.00 64.86 66.23 3i20 h ILE 35 Cb 0.27 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.20 3i20 h ILE 35 CO -0.08 0.00 0.66 -0.07 0.00 0.00 0.00 178.15 178.66 3i20 h LEU 36 N -0.09 0.37 -0.69 1.44 4.07 -0.23 -1.58 115.31 118.61 3i20 h LEU 36 Ca 0.10 0.18 -0.09 0.00 0.08 0.00 0.00 57.88 58.15 3i20 h LEU 36 Cb 0.35 0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.23 3i20 h LEU 36 CO -0.63 -0.22 -0.45 0.74 -1.08 0.00 0.00 178.44 176.80 3i20 h THR 37 N 0.17 0.96 -0.30 0.22 2.02 0.41 -3.00 112.91 113.38 3i20 h THR 37 Ca 0.79 -1.80 -0.13 0.00 0.77 0.00 0.00 66.41 66.03 3i20 h THR 37 Cb 2.11 2.09 -0.08 0.00 -1.74 0.00 0.00 68.15 70.54 3i20 h THR 37 CO -0.57 0.44 -0.07 -1.22 0.37 0.00 0.00 175.52 174.47 3i20 n TYR 38 N -3.48 0.97 -3.86 3.16 4.02 -0.62 -4.90 117.16 112.45 3i20 n TYR 38 Ca 0.00 -1.42 -0.36 0.00 -0.01 0.00 0.00 57.90 56.12 3i20 n TYR 38 Cb 0.58 -0.43 -0.13 0.00 -0.02 0.00 0.00 39.34 39.34 3i20 n TYR 38 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3i20 s THR 39 N -3.14 3.42 -1.10 -0.72 2.01 -1.05 -5.03 115.64 110.03 3i20 s THR 39 Ca 0.43 -0.85 -0.17 0.00 0.31 0.00 0.00 61.69 61.41 3i20 s THR 39 Cb 0.39 -2.75 0.13 0.00 0.01 0.00 0.00 72.50 70.28 3i20 s THR 39 CO 0.02 0.14 1.36 0.20 -0.69 0.00 0.00 174.62 175.65 3i20 s ASN 40 N 1.41 6.82 0.02 3.53 0.02 -1.26 -4.72 114.94 120.76 3i20 s ASN 40 Ca 0.01 -2.41 -0.24 0.00 -1.02 0.00 0.00 52.86 49.20 3i20 s ASN 40 Cb -0.17 -2.44 0.06 0.00 0.02 0.00 0.00 41.25 38.72 3i20 s ASN 40 CO -0.01 -1.00 0.56 -0.54 0.02 0.00 0.00 177.10 176.13 3i20 s LYS 41 N 2.68 1.03 0.24 -0.60 -0.14 -1.26 -5.03 119.74 116.67 3i20 s LYS 41 Ca 0.41 -0.10 -0.05 0.00 -1.36 0.00 0.00 55.97 54.87 3i20 s LYS 41 Cb -0.02 0.48 0.26 0.00 -1.68 0.00 0.00 37.83 36.87 3i20 s LYS 41 CO -0.04 -0.36 1.82 -0.22 -0.76 0.00 0.00 175.35 175.80 3i20 h LYS 42 N 2.87 1.10 -0.39 1.68 1.63 -1.99 -2.55 116.57 118.92 3i20 h LYS 42 Ca -0.30 -0.18 0.08 0.00 -0.85 0.00 0.00 60.65 59.40 3i20 h LYS 42 Cb 1.20 -0.19 -0.09 0.00 -0.60 0.00 0.00 32.23 32.55 3i20 h LYS 42 CO 0.40 0.88 -0.36 0.00 -3.45 0.00 0.00 179.45 176.92 3i20 h ALA 43 N 1.27 -0.27 -0.42 5.00 0.00 -1.95 -2.50 119.26 120.39 3i20 h ALA 43 Ca 0.26 0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.34 3i20 h ALA 43 Cb 0.17 0.76 -0.09 0.00 0.00 0.00 0.00 17.79 18.64 3i20 h ALA 43 CO -0.03 -0.77 -0.17 0.00 0.00 0.00 0.00 179.25 178.28 3i20 h ALA 44 N 0.64 0.17 -0.88 0.00 0.00 -1.74 0.50 119.26 117.96 3i20 h ALA 44 Ca 0.16 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.28 3i20 h ALA 44 Cb 0.56 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 3i20 h ALA 44 CO -0.55 -0.52 0.58 -0.24 0.00 0.00 0.00 179.25 178.52 3i20 h VAL 45 N -0.08 1.09 0.13 0.00 3.04 -1.54 0.43 116.25 119.32 3i20 h VAL 45 Ca 0.20 -0.35 -0.00 0.00 -1.01 0.00 0.00 66.70 65.54 3i20 h VAL 45 Cb 0.39 -0.03 -0.00 0.00 -2.01 0.00 0.00 31.29 29.64 3i20 h VAL 45 CO -0.47 0.19 -0.07 -0.07 -1.01 0.00 0.00 177.57 176.13 3i20 h LEU 46 N 1.03 -0.17 0.10 3.16 3.38 0.40 -1.61 115.31 121.58 3i20 h LEU 46 Ca 0.37 0.01 -0.26 0.00 0.09 0.00 0.00 57.88 58.09 3i20 h LEU 46 Cb 0.14 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3i20 h LEU 46 CO -0.13 -0.12 -1.21 1.62 0.09 0.00 0.00 178.44 178.69 3i20 h VAL 47 N -0.19 1.52 -0.11 1.22 3.04 -0.81 -2.30 116.25 118.62 3i20 h VAL 47 Ca -0.01 -3.13 0.03 0.00 -1.01 0.00 0.00 66.70 62.57 3i20 h VAL 47 Cb 0.15 2.91 -0.06 0.00 -2.01 0.00 0.00 31.29 32.28 3i20 h VAL 47 CO 0.02 0.90 -0.51 0.50 -1.01 0.00 0.00 177.57 177.47 3i20 h LYS 48 N 0.06 -0.54 -1.00 4.17 3.11 -0.09 0.77 116.57 123.04 3i20 h LYS 48 Ca -0.11 0.04 0.31 0.00 -2.81 0.00 0.00 60.65 58.07 3i20 h LYS 48 Cb 1.93 0.12 -0.14 0.00 -1.00 0.00 0.00 32.23 33.14 3i20 h LYS 48 CO 0.18 -0.36 0.56 0.87 -2.81 0.00 0.00 179.45 177.89 3i20 h LYS 49 N -0.56 0.35 0.59 1.90 1.57 -1.17 -0.11 116.57 119.14 3i20 h LYS 49 Ca 0.03 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3i20 h LYS 49 Cb 0.65 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.89 3i20 h LYS 49 CO -0.40 0.23 -0.28 0.28 -0.57 0.00 0.00 179.45 178.71 3i20 h VAL 50 N 0.36 0.00 -0.92 0.50 2.07 -0.31 -2.65 116.25 115.30 3i20 h VAL 50 Ca 0.72 -0.26 0.22 0.00 0.82 0.00 0.00 66.70 68.20 3i20 h VAL 50 Cb 1.59 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 31.19 3i20 h VAL 50 CO -0.59 0.00 -0.06 0.25 0.02 0.00 0.00 177.57 177.19 3i20 h LEU 51 N -1.05 -0.58 -1.60 2.57 5.85 0.12 0.26 115.31 120.88 3i20 h LEU 51 Ca -0.08 0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 3i20 h LEU 51 Cb 0.61 0.49 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 3i20 h LEU 51 CO 0.13 -0.30 -0.08 -0.33 -0.34 0.00 0.00 178.44 177.53 3i20 h GLU 52 N 0.03 0.16 -0.20 1.25 5.08 -1.04 -1.88 114.58 117.97 3i20 h GLU 52 Ca 0.51 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.83 3i20 h GLU 52 Cb 0.94 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 3i20 h GLU 52 CO -0.88 0.25 0.07 1.03 -1.00 0.00 0.00 179.01 178.48 3i20 h SER 53 N 0.16 0.28 0.15 1.42 0.87 -0.12 -2.24 113.55 114.07 3i20 h SER 53 Ca 0.04 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.41 3i20 h SER 53 Cb 0.24 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.13 3i20 h SER 53 CO 0.01 0.38 -0.10 0.00 -0.53 0.00 0.00 176.83 176.60 3i20 h ALA 54 N 0.91 -0.96 -1.16 6.23 0.00 -0.94 0.36 119.26 123.69 3i20 h ALA 54 Ca 0.07 -0.05 0.43 0.00 0.00 0.00 0.00 54.91 55.36 3i20 h ALA 54 Cb 0.19 0.21 -0.15 0.00 0.00 0.00 0.00 17.79 18.04 3i20 h ALA 54 CO -0.00 -0.96 0.71 -0.89 0.00 0.00 0.00 179.25 178.11 3i20 n ILE 55 N -2.78 -0.30 0.20 0.00 5.41 -1.01 0.19 119.36 121.07 3i20 n ILE 55 Ca -0.03 1.79 -0.08 0.00 1.00 0.00 0.00 62.75 65.43 3i20 n ILE 55 Cb 0.10 -2.92 -0.04 0.00 -0.71 0.00 0.00 39.64 36.07 3i20 n ILE 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i20 h ALA 56 N 1.66 -0.96 -0.89 -1.39 0.00 -0.73 -1.17 119.26 115.77 3i20 h ALA 56 Ca 0.82 -0.11 0.17 0.00 0.00 0.00 0.00 54.91 55.79 3i20 h ALA 56 Cb 2.46 0.20 -0.16 0.00 0.00 0.00 0.00 17.79 20.29 3i20 h ALA 56 CO -0.56 -0.93 -0.24 0.09 0.00 0.00 0.00 179.25 177.62 3i20 n ASN 57 N -3.61 -0.36 -0.16 0.00 5.03 0.32 -0.40 115.26 116.09 3i20 n ASN 57 Ca -0.06 1.53 -0.07 0.00 0.87 0.00 0.00 54.58 56.85 3i20 n ASN 57 Cb 0.20 -0.45 0.02 0.00 -1.02 0.00 0.00 39.78 38.54 3i20 n ASN 57 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3i20 h ALA 58 N 1.69 0.61 -0.19 5.41 0.00 0.22 1.00 119.26 128.00 3i20 h ALA 58 Ca 0.41 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 55.10 3i20 h ALA 58 Cb 0.63 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.27 3i20 h ALA 58 CO -0.91 0.00 -0.67 1.49 0.00 0.00 0.00 179.25 179.16 3i20 h GLU 59 N 0.60 0.78 0.11 0.00 4.81 0.58 -2.28 114.58 119.18 3i20 h GLU 59 Ca 0.19 -0.59 -0.25 0.00 -0.13 0.00 0.00 59.36 58.57 3i20 h GLU 59 Cb -0.02 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 3i20 h GLU 59 CO -0.07 1.21 -1.25 1.25 -0.73 0.00 0.00 179.01 179.42 3i20 h HIS 60 N 0.52 0.42 0.00 0.92 2.76 -0.91 -3.39 115.15 115.46 3i20 h HIS 60 Ca -0.03 -0.30 0.00 0.00 -2.20 0.00 0.00 60.37 57.84 3i20 h HIS 60 Cb 1.30 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.24 3i20 h HIS 60 CO 0.09 1.49 -1.26 0.09 -1.30 0.00 0.00 177.93 177.03 3i20 n ASN 61 N -4.01 0.57 -0.82 3.26 5.03 0.34 -4.99 115.26 114.63 3i20 n ASN 61 Ca -0.23 0.10 0.00 0.00 0.87 0.00 0.00 54.58 55.32 3i20 n ASN 61 Cb 0.86 0.93 0.00 0.00 -1.02 0.00 0.00 39.78 40.55 3i20 n ASN 61 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 3i20 n ASP 62 N -2.37 0.30 -0.28 6.41 8.00 -0.88 -5.02 116.55 122.70 3i20 n ASP 62 Ca -0.00 -0.71 0.04 0.00 0.71 0.00 0.00 54.79 54.82 3i20 n ASP 62 Cb 0.52 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.72 3i20 n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i20 n GLY 63 N 0.75 -1.33 5.89 0.44 0.00 -1.24 -4.41 105.19 105.29 3i20 n GLY 63 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 46.02 46.85 3i20 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i20 n ALA 64 N -3.70 0.00 -2.37 4.61 0.00 -1.04 -4.94 120.51 113.06 3i20 n ALA 64 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.53 3i20 n ALA 64 Cb 0.38 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.84 3i20 n ALA 64 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i20 n ASP 65 N 0.65 -4.88 0.34 0.00 -0.08 -1.26 -4.88 116.55 106.44 3i20 n ASP 65 Ca 0.00 -0.16 0.14 0.00 -1.51 0.00 0.00 54.79 53.26 3i20 n ASP 65 Cb 0.00 -3.20 0.75 0.00 2.34 0.00 0.00 41.12 41.01 3i20 n ASP 65 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 3i20 h ILE 66 N -0.05 0.00 0.19 5.18 -2.65 -1.95 -2.83 117.51 115.40 3i20 h ILE 66 Ca -0.12 0.00 -0.00 0.00 1.03 0.00 0.00 64.86 65.77 3i20 h ILE 66 Cb 1.06 0.61 -0.01 0.00 -2.05 0.00 0.00 36.82 36.42 3i20 h ILE 66 CO 0.19 0.00 -0.23 0.44 0.03 0.00 0.00 178.15 178.58 3i20 h ASP 67 N 0.00 -0.64 -1.83 2.16 3.32 -2.03 -3.13 116.42 114.27 3i20 h ASP 67 Ca 0.00 0.06 -0.72 0.00 0.02 0.00 0.00 57.03 56.38 3i20 h ASP 67 Cb 0.78 0.22 -0.15 0.00 0.22 0.00 0.00 39.33 40.40 3i20 h ASP 67 CO 0.00 -0.29 1.57 1.51 -1.72 0.00 0.00 179.24 180.31 3i20 s ASP 68 N -3.24 7.01 -0.06 6.45 -4.77 -1.07 -4.88 116.67 116.11 3i20 s ASP 68 Ca -0.08 -2.85 -0.03 0.00 -3.30 0.00 0.00 52.55 46.30 3i20 s ASP 68 Cb 0.02 -2.45 0.04 0.00 -1.09 0.00 0.00 42.92 39.44 3i20 s ASP 68 CO 0.27 -0.86 0.12 -0.22 0.70 0.00 0.00 175.17 175.18 3i20 s LEU 69 N 2.27 0.07 0.06 2.11 2.96 -1.18 -4.40 118.68 120.57 3i20 s LEU 69 Ca 0.46 0.23 0.08 0.00 -0.22 0.00 0.00 54.13 54.67 3i20 s LEU 69 Cb -0.01 0.11 -0.03 0.00 0.50 0.00 0.00 46.19 46.76 3i20 s LEU 69 CO 0.02 -0.24 -0.20 -0.54 -1.32 0.00 0.00 176.35 174.07 3i20 s LYS 70 N 2.17 1.93 -1.06 1.98 3.01 0.16 0.13 119.74 128.07 3i20 s LYS 70 Ca 0.03 -1.06 -0.23 0.00 -1.01 0.00 0.00 55.97 53.70 3i20 s LYS 70 Cb -0.12 -2.12 -0.02 0.00 -1.01 0.00 0.00 37.83 34.56 3i20 s LYS 70 CO -0.05 0.52 1.80 0.54 0.51 0.00 0.00 175.35 178.67 3i20 s VAL 71 N -0.95 3.68 -0.08 3.17 0.11 -0.31 -1.36 120.40 124.66 3i20 s VAL 71 Ca 0.15 -0.82 0.17 0.00 -2.93 0.00 0.00 61.98 58.54 3i20 s VAL 71 Cb -0.10 -4.57 0.10 0.00 -1.53 0.00 0.00 36.38 30.28 3i20 s VAL 71 CO 0.06 -1.35 1.53 0.71 -3.33 0.00 0.00 175.10 172.72 3i20 h THR 72 N 6.65 0.82 -3.13 5.04 1.35 -1.47 0.31 112.91 122.47 3i20 h THR 72 Ca 0.20 -1.98 -0.29 0.00 -0.55 0.00 0.00 66.41 63.79 3i20 h THR 72 Cb 0.97 2.27 -0.35 0.00 -1.73 0.00 0.00 68.15 69.31 3i20 h THR 72 CO 1.30 0.44 -0.64 -0.75 -0.25 0.00 0.00 175.52 175.62 3i20 s LYS 73 N -3.13 0.03 -0.03 4.72 2.47 0.40 -4.65 119.74 119.56 3i20 s LYS 73 Ca 0.03 0.52 0.00 0.00 -1.56 0.00 0.00 55.97 54.96 3i20 s LYS 73 Cb 0.08 -0.27 0.03 0.00 -1.46 0.00 0.00 37.83 36.21 3i20 s LYS 73 CO 0.72 -0.28 0.01 -1.50 0.16 0.00 0.00 175.35 174.46 3i20 s ILE 74 N 2.09 0.08 0.08 5.43 1.10 -1.26 0.49 121.20 129.22 3i20 s ILE 74 Ca 0.01 0.15 -0.16 0.00 -0.51 0.00 0.00 60.65 60.14 3i20 s ILE 74 Cb -0.12 -0.21 0.03 0.00 0.15 0.00 0.00 42.46 42.32 3i20 s ILE 74 CO -0.06 0.13 0.39 0.72 -2.11 0.00 0.00 174.94 174.01 3i20 s PHE 75 N 1.14 -0.21 -0.07 3.50 -0.71 -0.58 -4.95 117.98 116.11 3i20 s PHE 75 Ca -0.08 0.01 -0.01 0.00 -1.04 0.00 0.00 56.93 55.81 3i20 s PHE 75 Cb -0.13 0.22 0.03 0.00 -1.21 0.00 0.00 43.02 41.92 3i20 s PHE 75 CO -0.02 -0.63 -0.00 0.54 -1.34 0.00 0.00 175.22 173.77 3i20 s VAL 76 N -3.16 0.37 0.13 -2.49 0.11 -1.26 -1.16 120.40 112.93 3i20 s VAL 76 Ca -0.01 0.11 0.06 0.00 -2.93 0.00 0.00 61.98 59.21 3i20 s VAL 76 Cb 0.01 -0.52 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 3i20 s VAL 76 CO -0.07 0.25 -0.01 -1.81 -3.33 0.00 0.00 175.10 170.12 3i20 s ASP 77 N 1.84 4.83 -0.13 3.54 -0.00 -0.88 -4.91 116.67 120.97 3i20 s ASP 77 Ca 0.03 -0.29 -0.29 0.00 -0.00 0.00 0.00 52.55 51.99 3i20 s ASP 77 Cb -0.12 -1.07 -0.01 0.00 -0.00 0.00 0.00 42.92 41.71 3i20 s ASP 77 CO -0.05 0.14 1.11 -1.83 -0.00 0.00 0.00 175.17 174.55 3i20 s GLU 78 N -2.55 4.33 0.45 8.23 -1.05 -1.26 -0.31 118.70 126.55 3i20 s GLU 78 Ca 0.26 1.51 -0.08 0.00 -0.15 0.00 0.00 54.97 56.51 3i20 s GLU 78 Cb -0.11 -3.61 0.10 0.00 -0.44 0.00 0.00 34.13 30.08 3i20 s GLU 78 CO 0.18 -0.49 0.58 0.41 0.95 0.00 0.00 175.26 176.89 3i20 n GLY 79 N 3.31 -1.45 3.59 -3.83 0.00 0.16 -4.82 105.19 102.15 3i20 n GLY 79 Ca 0.11 -1.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.17 3i20 n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i20 s PRO 80 N -4.27 -0.91 -0.07 1.61 0.04 -1.26 -4.48 135.00 125.66 3i20 s PRO 80 Ca 0.33 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.54 3i20 s PRO 80 Cb -0.01 -1.61 0.02 0.00 0.04 0.00 0.00 34.50 32.94 3i20 s PRO 80 CO 0.24 -3.55 -0.05 -1.12 0.04 0.00 0.00 177.00 172.56 3i20 s SER 81 N -3.62 1.54 -0.03 6.66 0.01 -1.26 -2.28 113.70 114.73 3i20 s SER 81 Ca 0.69 -0.18 -0.30 0.00 1.31 0.00 0.00 55.95 57.47 3i20 s SER 81 Cb -0.14 -0.59 -0.03 0.00 0.21 0.00 0.00 66.02 65.47 3i20 s SER 81 CO 0.57 -0.10 1.14 -0.04 0.41 0.00 0.00 173.24 175.22 3i20 s MET 82 N 1.41 4.41 -0.30 12.44 -1.94 -0.01 -4.83 119.30 130.48 3i20 s MET 82 Ca -0.03 1.61 -0.08 0.00 -1.71 0.00 0.00 55.69 55.49 3i20 s MET 82 Cb -0.13 -3.49 0.00 0.00 2.01 0.00 0.00 34.83 33.21 3i20 s MET 82 CO -0.03 -0.32 0.11 0.15 -0.01 0.00 0.00 175.02 174.92 3i20 s LYS 83 N 1.73 3.22 0.00 2.03 1.02 -1.26 -0.28 119.74 126.20 3i20 s LYS 83 Ca 0.55 -0.78 0.00 0.00 0.02 0.00 0.00 55.97 55.76 3i20 s LYS 83 Cb -0.24 -3.46 0.00 0.00 -0.52 0.00 0.00 37.83 33.61 3i20 s LYS 83 CO 0.24 -0.42 0.00 0.54 -0.92 0.00 0.00 175.35 174.79 3i20 n ARG 84 N 4.92 3.75 -3.85 1.68 5.12 -1.08 -5.04 116.66 122.16 3i20 n ARG 84 Ca -0.14 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.66 3i20 n ARG 84 Cb 0.49 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.67 3i20 n ARG 84 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3i20 s ILE 85 N 1.28 0.03 -0.22 0.55 1.01 -1.21 -4.58 121.20 118.06 3i20 s ILE 85 Ca 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 60.65 60.38 3i20 s ILE 85 Cb 0.00 -0.26 -0.01 0.00 0.01 0.00 0.00 42.46 42.20 3i20 s ILE 85 CO 0.00 -0.13 -0.04 -0.32 0.00 0.00 0.00 174.94 174.45 3i20 s MET 86 N -0.39 3.39 0.53 2.79 -2.45 -0.49 -4.93 119.30 117.77 3i20 s MET 86 Ca -0.05 -0.62 -0.22 0.00 -1.25 0.00 0.00 55.69 53.56 3i20 s MET 86 Cb -0.03 -3.01 -0.05 0.00 1.25 0.00 0.00 34.83 32.98 3i20 s MET 86 CO 0.00 -0.18 1.29 -2.14 1.05 0.00 0.00 175.02 175.04 3i20 s PRO 87 N 1.44 3.26 0.24 4.11 0.02 -1.26 -1.36 135.00 141.45 3i20 s PRO 87 Ca 0.05 2.06 0.02 0.00 0.02 0.00 0.00 61.00 63.16 3i20 s PRO 87 Cb -0.14 -2.25 -0.05 0.00 0.02 0.00 0.00 34.50 32.08 3i20 s PRO 87 CO -0.03 -1.04 0.05 0.50 -0.33 0.00 0.00 177.00 176.15 3i20 s ARG 88 N -2.91 1.36 0.23 5.54 6.06 0.54 -4.85 118.95 124.92 3i20 s ARG 88 Ca 0.71 -1.71 -0.30 0.00 -2.50 0.00 0.00 55.73 51.92 3i20 s ARG 88 Cb -0.36 -0.43 -0.15 0.00 0.06 0.00 0.00 34.95 34.07 3i20 s ARG 88 CO 0.42 -0.19 1.04 0.00 -2.50 0.00 0.00 175.30 174.07 3i20 n ALA 89 N -0.43 -0.69 -2.39 6.12 0.00 -1.26 -3.14 120.51 118.70 3i20 n ALA 89 Ca -0.03 0.43 -0.13 0.00 0.00 0.00 0.00 53.44 53.71 3i20 n ALA 89 Cb 0.65 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 18.11 3i20 n ALA 89 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i20 n LYS 90 N 1.22 -1.64 0.00 0.00 5.02 -1.26 -3.12 118.16 118.38 3i20 n LYS 90 Ca 0.13 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 57.00 3i20 n LYS 90 Cb 0.28 -4.75 0.00 0.00 -0.02 0.00 0.00 35.03 30.54 3i20 n LYS 90 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i20 n GLY 91 N -1.08 2.61 3.77 0.72 0.00 -1.19 -5.01 105.19 105.01 3i20 n GLY 91 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 3i20 n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i20 s ARG 92 N -0.30 4.29 -0.16 1.61 0.52 -1.18 -4.83 118.95 118.90 3i20 s ARG 92 Ca 0.00 2.30 0.01 0.00 -0.52 0.00 0.00 55.73 57.52 3i20 s ARG 92 Cb 0.00 -3.05 0.01 0.00 0.52 0.00 0.00 34.95 32.42 3i20 s ARG 92 CO 0.00 -0.29 -0.18 0.00 0.02 0.00 0.00 175.30 174.85 3i20 s ALA 93 N -0.99 2.40 0.53 2.13 0.00 -1.26 -0.34 121.76 124.23 3i20 s ALA 93 Ca 0.51 -1.12 0.06 0.00 0.00 0.00 0.00 51.96 51.40 3i20 s ALA 93 Cb -0.41 -1.18 0.05 0.00 0.00 0.00 0.00 23.12 21.58 3i20 s ALA 93 CO 0.54 -0.16 0.73 -0.51 0.00 0.00 0.00 175.76 176.37 3i20 s ASP 94 N 1.01 5.24 -0.08 0.00 -0.00 -0.47 -4.89 116.67 117.49 3i20 s ASP 94 Ca -0.02 -0.42 -0.07 0.00 -0.00 0.00 0.00 52.55 52.05 3i20 s ASP 94 Cb -0.15 -0.38 -0.02 0.00 -0.00 0.00 0.00 42.92 42.37 3i20 s ASP 94 CO -0.05 -1.15 -0.13 -1.14 -0.00 0.00 0.00 175.17 172.70 3i20 n ARG 95 N -2.21 0.24 -2.36 8.23 3.00 -1.26 -1.39 116.66 120.91 3i20 n ARG 95 Ca 0.11 0.24 -0.00 0.00 -0.00 0.00 0.00 57.85 58.19 3i20 n ARG 95 Cb 0.60 -1.07 -0.00 0.00 0.00 0.00 0.00 32.46 31.99 3i20 n ARG 95 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 3i20 n ILE 96 N -3.42-12.65 -3.73 5.15 -5.35 -1.26 -3.29 119.36 94.82 3i20 n ILE 96 Ca -0.05 2.98 -0.36 0.00 -0.27 0.00 0.00 62.75 65.04 3i20 n ILE 96 Cb 0.19 -5.85 -0.10 0.00 -1.74 0.00 0.00 39.64 32.14 3i20 n ILE 96 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3i20 s LEU 97 N -0.57 4.01 -0.39 7.28 2.01 -1.26 -2.63 118.68 127.13 3i20 s LEU 97 Ca -0.01 0.08 -0.23 0.00 0.01 0.00 0.00 54.13 53.98 3i20 s LEU 97 Cb 0.00 -2.07 0.01 0.00 0.01 0.00 0.00 46.19 44.15 3i20 s LEU 97 CO 0.03 0.07 0.75 -0.54 1.01 0.00 0.00 176.35 177.68 3i20 s LYS 98 N 0.99 3.63 0.04 1.70 1.02 0.61 -4.94 119.74 122.80 3i20 s LYS 98 Ca 0.07 0.14 -0.11 0.00 0.02 0.00 0.00 55.97 56.08 3i20 s LYS 98 Cb -0.13 -3.85 -0.06 0.00 -0.52 0.00 0.00 37.83 33.27 3i20 s LYS 98 CO 0.04 -0.91 0.39 1.03 -0.92 0.00 0.00 175.35 174.98 3i20 s ARG 99 N 3.08 3.79 0.14 1.68 0.52 -1.26 -0.83 118.95 126.07 3i20 s ARG 99 Ca 0.29 0.23 0.11 0.00 -0.52 0.00 0.00 55.73 55.85 3i20 s ARG 99 Cb -0.13 -3.08 -0.04 0.00 0.52 0.00 0.00 34.95 32.22 3i20 s ARG 99 CO 0.18 0.62 -0.26 0.95 0.02 0.00 0.00 175.30 176.81 3i20 s THR 100 N -1.27 2.23 0.13 0.02 -4.23 -0.96 -4.02 115.64 107.53 3i20 s THR 100 Ca 0.29 -1.79 0.10 0.00 -1.18 0.00 0.00 61.69 59.12 3i20 s THR 100 Cb -0.15 -1.99 -0.04 0.00 1.34 0.00 0.00 72.50 71.67 3i20 s THR 100 CO 0.16 0.05 -0.25 -0.44 -0.54 0.00 0.00 174.62 173.60 3i20 s SER 101 N -2.14 3.46 -0.26 3.99 0.01 0.35 0.37 113.70 119.48 3i20 s SER 101 Ca 0.14 -0.70 -0.08 0.00 1.31 0.00 0.00 55.95 56.62 3i20 s SER 101 Cb -0.10 -0.30 -0.02 0.00 0.21 0.00 0.00 66.02 65.81 3i20 s SER 101 CO 0.06 0.18 0.09 -1.00 0.41 0.00 0.00 173.24 172.98 3i20 s HIS 102 N -1.08 3.11 0.08 2.43 3.76 0.58 0.11 115.29 124.28 3i20 s HIS 102 Ca 0.15 -0.44 -0.16 0.00 -0.15 0.00 0.00 55.06 54.46 3i20 s HIS 102 Cb -0.10 -2.27 -0.06 0.00 1.11 0.00 0.00 32.58 31.26 3i20 s HIS 102 CO 0.07 -0.37 0.51 0.42 -0.85 0.00 0.00 174.74 174.52 3i20 s ILE 103 N 1.62 4.87 -0.03 0.60 1.09 0.17 -2.07 121.20 127.44 3i20 s ILE 103 Ca 0.06 0.95 0.01 0.00 -1.10 0.00 0.00 60.65 60.57 3i20 s ILE 103 Cb -0.16 -3.78 0.02 0.00 -1.06 0.00 0.00 42.46 37.48 3i20 s ILE 103 CO 0.04 0.44 -0.03 -0.89 -0.10 0.00 0.00 174.94 174.40 3i20 s THR 104 N -1.24 0.41 -0.08 2.92 2.01 -0.31 -1.43 115.64 117.93 3i20 s THR 104 Ca 0.31 -0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.26 3i20 s THR 104 Cb -0.17 -0.44 0.01 0.00 0.01 0.00 0.00 72.50 71.90 3i20 s THR 104 CO 0.18 0.18 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.43 3i20 s VAL 105 N 0.78 1.48 -0.14 3.82 1.01 0.07 -1.52 120.40 125.91 3i20 s VAL 105 Ca -0.09 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.22 3i20 s VAL 105 Cb -0.13 -1.31 0.02 0.00 0.00 0.00 0.00 36.38 34.96 3i20 s VAL 105 CO -0.00 0.43 -0.17 -0.69 0.00 0.00 0.00 175.10 174.67 3i20 s VAL 106 N 0.53 1.70 -0.20 2.92 1.01 1.82 -1.14 120.40 127.05 3i20 s VAL 106 Ca -0.16 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.09 3i20 s VAL 106 Cb -0.17 -1.55 0.03 0.00 0.00 0.00 0.00 36.38 34.69 3i20 s VAL 106 CO 0.06 0.48 -0.15 -0.69 0.00 0.00 0.00 175.10 174.79 3i20 s VAL 107 N 1.17 1.93 0.00 2.92 1.01 -1.15 -0.45 120.40 125.83 3i20 s VAL 107 Ca -0.01 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 60.92 3i20 s VAL 107 Cb -0.14 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.38 3i20 s VAL 107 CO -0.06 0.34 0.00 -1.54 0.00 0.00 0.00 175.10 173.84 3i20 n SER 108 N 4.62 0.79 0.00 3.32 3.41 -0.47 -4.18 113.62 121.11 3i20 n SER 108 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 3i20 n SER 108 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 3i20 n SER 108 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3i20 n ASP 109 N 0.00 0.41 0.00 4.04 5.68 -1.26 0.41 116.55 125.83 3i20 n ASP 109 Ca 0.00 -0.86 0.00 0.00 -0.50 0.00 0.00 54.79 53.43 3i20 n ASP 109 Cb 0.00 0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 3i20 n ASP 109 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73