#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1q h MET 2 N 0.00 0.74 -0.85 -1.46 2.07 -2.05 -2.67 114.93 110.71 3i1q h MET 2 Ca 0.00 -0.08 0.04 0.00 -2.07 0.00 0.00 59.70 57.59 3i1q h MET 2 Cb 0.00 -0.15 -0.05 0.00 -1.87 0.00 0.00 31.60 29.53 3i1q h MET 2 CO 0.00 0.55 0.56 1.96 1.07 0.00 0.00 176.91 181.05 3i1q h GLN 3 N 0.74 1.01 -3.33 1.72 4.20 -2.07 -3.22 115.11 114.16 3i1q h GLN 3 Ca 0.19 -0.06 -0.64 0.00 0.06 0.00 0.00 58.65 58.20 3i1q h GLN 3 Cb 0.04 -0.23 -0.41 0.00 0.30 0.00 0.00 27.48 27.19 3i1q h GLN 3 CO -0.03 0.67 -0.64 0.34 -0.67 0.00 0.00 178.83 178.50 3i1q s ASP 4 N -6.17 4.28 0.41 1.46 3.68 -1.01 -4.94 116.67 114.39 3i1q s ASP 4 Ca -0.11 -3.04 0.27 0.00 2.13 0.00 0.00 52.55 51.80 3i1q s ASP 4 Cb 0.19 -1.59 0.81 0.00 -1.45 0.00 0.00 42.92 40.88 3i1q s ASP 4 CO 0.79 -0.22 1.77 1.55 0.13 0.00 0.00 175.17 179.19 3i1q h PRO 5 N 6.44 0.00 -0.15 4.34 0.13 -1.57 -3.19 132.00 138.00 3i1q h PRO 5 Ca -0.06 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.02 3i1q h PRO 5 Cb 0.88 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.01 3i1q h PRO 5 CO 0.67 0.00 -0.09 0.82 -0.23 0.00 0.00 178.00 179.18 3i1q h ILE 6 N 0.00 1.32 0.00 -3.56 1.08 -1.92 -2.06 117.51 112.37 3i1q h ILE 6 Ca 0.00 -1.15 -0.03 0.00 -0.39 0.00 0.00 64.86 63.29 3i1q h ILE 6 Cb 0.73 1.75 -0.00 0.00 -3.07 0.00 0.00 36.82 36.22 3i1q h ILE 6 CO 0.00 0.34 -0.13 0.00 -0.69 0.00 0.00 178.15 177.67 3i1q h ALA 7 N 0.66 1.03 -0.29 1.87 0.00 -1.94 -1.93 119.26 118.66 3i1q h ALA 7 Ca 0.03 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3i1q h ALA 7 Cb 0.57 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3i1q h ALA 7 CO 0.03 0.16 -0.16 0.22 0.00 0.00 0.00 179.25 179.50 3i1q h ASP 8 N 0.00 0.65 0.87 0.00 3.58 -1.50 -0.53 116.42 119.49 3i1q h ASP 8 Ca -0.00 -0.42 -0.04 0.00 0.42 0.00 0.00 57.03 56.99 3i1q h ASP 8 Cb 0.63 -0.18 0.01 0.00 1.72 0.00 0.00 39.33 41.51 3i1q h ASP 8 CO 0.02 0.92 -0.43 -0.03 -2.88 0.00 0.00 179.24 176.84 3i1q h MET 9 N 0.37 -1.14 -0.88 0.28 4.05 -1.01 0.24 114.93 116.84 3i1q h MET 9 Ca 0.06 0.08 0.21 0.00 -0.28 0.00 0.00 59.70 59.77 3i1q h MET 9 Cb 0.69 0.26 -0.16 0.00 -0.80 0.00 0.00 31.60 31.58 3i1q h MET 9 CO 0.05 -0.76 -0.06 -0.07 0.23 0.00 0.00 176.91 176.30 3i1q h LEU 10 N -1.18 -0.54 -0.39 3.39 3.38 -1.40 0.06 115.31 118.64 3i1q h LEU 10 Ca -0.12 0.25 -0.19 0.00 0.09 0.00 0.00 57.88 57.91 3i1q h LEU 10 Cb 0.91 0.46 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 3i1q h LEU 10 CO 0.19 -0.27 -0.76 0.00 0.09 0.00 0.00 178.44 177.69 3i1q h THR 11 N 0.04 1.40 -0.36 0.22 1.03 -0.85 -0.16 112.91 114.23 3i1q h THR 11 Ca 0.48 -2.23 -0.02 0.00 -0.01 0.00 0.00 66.41 64.63 3i1q h THR 11 Cb 0.87 2.19 -0.02 0.00 -1.07 0.00 0.00 68.15 70.12 3i1q h THR 11 CO -0.83 0.66 0.14 0.03 -0.01 0.00 0.00 175.52 175.51 3i1q h ARG 12 N 0.23 0.55 0.30 0.00 3.08 0.10 0.16 114.38 118.80 3i1q h ARG 12 Ca -0.03 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3i1q h ARG 12 Cb 1.34 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 3i1q h ARG 12 CO 0.13 0.54 -0.29 0.82 -1.07 0.00 0.00 179.97 180.10 3i1q h ILE 13 N 0.44 0.39 -0.64 2.04 2.04 -0.95 0.94 117.51 121.76 3i1q h ILE 13 Ca 0.12 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.07 3i1q h ILE 13 Cb 0.20 0.39 -0.07 0.00 -0.74 0.00 0.00 36.82 36.60 3i1q h ILE 13 CO -0.01 0.00 0.28 -0.09 0.00 0.00 0.00 178.15 178.33 3i1q h ARG 14 N -0.61 0.48 0.00 2.37 2.43 -0.80 0.10 114.38 118.35 3i1q h ARG 14 Ca -0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3i1q h ARG 14 Cb 0.56 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3i1q h ARG 14 CO -0.05 0.32 0.00 0.09 -1.51 0.00 0.00 179.97 178.81 3i1q n ASN 15 N -4.93 0.44 -0.04 -3.80 5.03 0.53 -2.61 115.26 109.88 3i1q n ASN 15 Ca 0.09 0.58 -0.00 0.00 0.87 0.00 0.00 54.58 56.12 3i1q n ASN 15 Cb 0.26 -0.68 -0.00 0.00 -1.02 0.00 0.00 39.78 38.34 3i1q n ASN 15 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 3i1q h GLY 16 N 3.26 0.00 -0.78 7.41 0.00 0.15 -2.81 103.07 110.31 3i1q h GLY 16 Ca 0.00 0.00 0.39 0.00 0.00 0.00 0.00 47.33 47.72 3i1q h GLY 16 CO 0.00 0.00 0.91 1.46 0.00 0.00 0.00 176.54 178.91 3i1q h GLN 17 N -0.67 0.11 0.01 4.80 1.08 -1.00 0.90 115.11 120.34 3i1q h GLN 17 Ca 0.00 -0.01 -0.24 0.00 -1.45 0.00 0.00 58.65 56.95 3i1q h GLN 17 Cb 0.04 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.41 3i1q h GLN 17 CO 0.00 0.07 -1.24 0.00 -0.95 0.00 0.00 178.83 176.71 3i1q h ALA 18 N 1.44 0.45 -0.50 3.87 0.00 -1.66 -3.23 119.26 119.63 3i1q h ALA 18 Ca 0.70 -1.08 -0.25 0.00 0.00 0.00 0.00 54.91 54.28 3i1q h ALA 18 Cb 2.43 0.06 -0.15 0.00 0.00 0.00 0.00 17.79 20.13 3i1q h ALA 18 CO -0.18 1.33 0.32 0.00 0.00 0.00 0.00 179.25 180.71 3i1q n ALA 19 N -2.44 4.05 -3.49 0.00 0.00 0.31 -4.90 120.51 114.04 3i1q n ALA 19 Ca -0.06 -1.47 -0.17 0.00 0.00 0.00 0.00 53.44 51.75 3i1q n ALA 19 Cb 0.98 -1.22 -0.04 0.00 0.00 0.00 0.00 19.45 19.17 3i1q n ALA 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i1q n ASN 20 N -0.31 0.06 -4.12 0.00 3.02 -0.73 -4.89 115.26 108.29 3i1q n ASN 20 Ca 0.30 -0.64 -0.34 0.00 -0.03 0.00 0.00 54.58 53.87 3i1q n ASN 20 Cb 1.08 -0.79 -0.14 0.00 -0.61 0.00 0.00 39.78 39.33 3i1q n ASN 20 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3i1q s LYS 21 N -5.36 2.16 -0.47 3.52 2.36 -1.12 -5.01 119.74 115.83 3i1q s LYS 21 Ca 0.04 -1.49 -0.06 0.00 -2.55 0.00 0.00 55.97 51.91 3i1q s LYS 21 Cb -0.02 -3.22 -0.15 0.00 -1.05 0.00 0.00 37.83 33.39 3i1q s LYS 21 CO 0.49 -0.76 3.26 0.00 1.55 0.00 0.00 175.35 179.90 3i1q n ALA 22 N 4.53 6.64 -3.56 3.13 0.00 -1.26 -4.52 120.51 125.47 3i1q n ALA 22 Ca -0.08 -2.52 -0.11 0.00 0.00 0.00 0.00 53.44 50.73 3i1q n ALA 22 Cb 0.42 -2.51 -0.05 0.00 0.00 0.00 0.00 19.45 17.32 3i1q n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1q s ALA 23 N 0.54 -1.91 -0.13 0.00 0.00 -1.26 -4.14 121.76 114.86 3i1q s ALA 23 Ca 0.65 1.48 -0.05 0.00 0.00 0.00 0.00 51.96 54.04 3i1q s ALA 23 Cb 0.30 -0.48 0.06 0.00 0.00 0.00 0.00 23.12 23.00 3i1q s ALA 23 CO -0.06 -0.38 0.28 0.08 0.00 0.00 0.00 175.76 175.68 3i1q s VAL 24 N -1.45 -0.30 -0.05 0.00 1.01 0.76 -4.86 120.40 115.50 3i1q s VAL 24 Ca -0.01 0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.24 3i1q s VAL 24 Cb -0.01 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.90 3i1q s VAL 24 CO 0.00 0.09 -0.18 0.42 0.00 0.00 0.00 175.10 175.44 3i1q s THR 25 N 2.04 2.76 -0.24 3.92 -4.23 -1.26 0.09 115.64 118.72 3i1q s THR 25 Ca -0.03 -0.83 -0.26 0.00 -1.18 0.00 0.00 61.69 59.39 3i1q s THR 25 Cb -0.11 -2.06 0.11 0.00 1.34 0.00 0.00 72.50 71.78 3i1q s THR 25 CO -0.09 0.58 0.95 0.00 -0.54 0.00 0.00 174.62 175.52 3i1q s MET 26 N -0.56 0.61 0.33 3.99 0.23 -0.28 -4.97 119.30 118.65 3i1q s MET 26 Ca 0.08 0.55 -0.28 0.00 -1.03 0.00 0.00 55.69 55.01 3i1q s MET 26 Cb -0.11 0.30 -0.13 0.00 -1.53 0.00 0.00 34.83 33.36 3i1q s MET 26 CO 0.01 -0.11 1.26 -2.30 -2.03 0.00 0.00 175.02 171.84 3i1q n PRO 27 N 1.91 2.02 -3.77 3.16 -0.02 -1.26 0.13 135.00 137.16 3i1q n PRO 27 Ca -0.13 0.71 -0.25 0.00 -2.02 0.00 0.00 63.50 61.81 3i1q n PRO 27 Cb 0.56 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 3i1q n PRO 27 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3i1q s SER 28 N -0.32 6.35 0.04 2.55 0.15 0.17 -4.64 113.70 117.98 3i1q s SER 28 Ca 0.56 0.27 -0.05 0.00 0.70 0.00 0.00 55.95 57.44 3i1q s SER 28 Cb -0.59 -1.95 -0.01 0.00 -1.71 0.00 0.00 66.02 61.75 3i1q s SER 28 CO 0.62 -0.06 0.08 -0.55 1.20 0.00 0.00 173.24 174.52 3i1q s SER 29 N -3.51 0.20 0.31 5.45 0.15 -1.26 -4.85 113.70 110.19 3i1q s SER 29 Ca 0.37 -0.55 -0.01 0.00 0.70 0.00 0.00 55.95 56.46 3i1q s SER 29 Cb -0.10 0.21 0.50 0.00 -1.71 0.00 0.00 66.02 64.92 3i1q s SER 29 CO 0.30 -0.49 1.98 0.11 1.20 0.00 0.00 173.24 176.34 3i1q h LYS 30 N 3.74 1.00 0.22 5.44 1.79 -2.00 -2.43 116.57 124.34 3i1q h LYS 30 Ca -0.32 -0.07 -0.30 0.00 -2.18 0.00 0.00 60.65 57.78 3i1q h LYS 30 Cb 1.18 -0.22 0.04 0.00 -1.58 0.00 0.00 32.23 31.65 3i1q h LYS 30 CO 0.50 0.67 -1.32 1.25 -1.08 0.00 0.00 179.45 179.48 3i1q h LEU 31 N 1.03 0.78 -1.05 2.94 5.85 -1.98 -2.76 115.31 120.12 3i1q h LEU 31 Ca 0.28 -0.92 0.27 0.00 0.84 0.00 0.00 57.88 58.35 3i1q h LEU 31 Cb -0.10 -0.25 -0.13 0.00 0.37 0.00 0.00 40.66 40.54 3i1q h LEU 31 CO -0.06 1.64 0.60 0.11 -0.34 0.00 0.00 178.44 180.39 3i1q h LYS 32 N 0.05 0.47 -0.03 1.25 1.57 -1.89 -0.41 116.57 117.59 3i1q h LYS 32 Ca -0.23 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.48 3i1q h LYS 32 Cb 2.03 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 34.24 3i1q h LYS 32 CO 0.25 0.31 -0.14 0.28 -0.57 0.00 0.00 179.45 179.58 3i1q h VAL 33 N 0.49 1.48 0.00 0.50 2.07 -1.47 -2.88 116.25 116.43 3i1q h VAL 33 Ca 0.67 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 66.58 3i1q h VAL 33 Cb 1.40 2.45 0.00 0.00 -1.52 0.00 0.00 31.29 33.61 3i1q h VAL 33 CO -0.49 0.44 0.55 0.00 0.02 0.00 0.00 177.57 178.08 3i1q h ALA 34 N 0.39 1.46 0.00 1.67 0.00 -0.78 0.57 119.26 122.56 3i1q h ALA 34 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3i1q h ALA 34 Cb 0.79 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3i1q h ALA 34 CO 0.03 -0.46 -0.33 0.82 0.00 0.00 0.00 179.25 179.31 3i1q h ILE 35 N 0.00 0.70 -0.86 0.00 2.04 -1.21 -3.37 117.51 114.80 3i1q h ILE 35 Ca 0.00 -1.61 0.22 0.00 1.00 0.00 0.00 64.86 64.47 3i1q h ILE 35 Cb 1.09 1.41 -0.14 0.00 -0.74 0.00 0.00 36.82 38.44 3i1q h ILE 35 CO 0.00 0.24 0.24 0.00 0.00 0.00 0.00 178.15 178.62 3i1q h ALA 36 N -0.61 1.25 -0.39 1.87 0.00 0.31 0.33 119.26 122.02 3i1q h ALA 36 Ca -0.06 0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3i1q h ALA 36 Cb 0.63 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3i1q h ALA 36 CO -0.04 -0.44 0.26 -0.97 0.00 0.00 0.00 179.25 178.06 3i1q h ASN 37 N 0.23 0.43 0.64 0.00 -0.73 -1.63 -0.72 115.58 113.80 3i1q h ASN 37 Ca 0.54 -0.01 -0.03 0.00 1.87 0.00 0.00 56.30 58.66 3i1q h ASN 37 Cb 1.06 -0.11 0.01 0.00 0.27 0.00 0.00 38.32 39.55 3i1q h ASN 37 CO -0.63 0.31 -0.31 0.58 -0.37 0.00 0.00 177.43 177.00 3i1q h VAL 38 N 0.50 0.00 -0.92 2.57 2.07 -0.51 -1.27 116.25 118.69 3i1q h VAL 38 Ca 0.15 -0.24 0.19 0.00 0.82 0.00 0.00 66.70 67.61 3i1q h VAL 38 Cb -0.02 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.68 3i1q h VAL 38 CO -0.03 0.00 0.59 -0.07 0.02 0.00 0.00 177.57 178.08 3i1q h LEU 39 N -1.11 0.53 0.50 2.57 3.38 -1.13 0.00 115.31 120.06 3i1q h LEU 39 Ca -0.09 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3i1q h LEU 39 Cb 0.66 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3i1q h LEU 39 CO 0.15 0.22 -0.24 0.50 0.09 0.00 0.00 178.44 179.16 3i1q h LYS 40 N 0.54 -0.65 -0.25 1.13 3.64 -1.18 0.40 116.57 120.21 3i1q h LYS 40 Ca 0.48 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.91 3i1q h LYS 40 Cb 1.01 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3i1q h LYS 40 CO -0.22 -0.35 0.00 -1.91 -2.27 0.00 0.00 179.45 174.70 3i1q n GLU 41 N -5.26 0.68 -0.22 1.90 4.07 -0.32 -1.32 120.64 120.18 3i1q n GLU 41 Ca -0.10 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 57.01 3i1q n GLU 41 Cb 0.31 -1.12 0.02 0.00 -0.06 0.00 0.00 31.44 30.59 3i1q n GLU 41 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3i1q n GLU 42 N -0.26 0.53 -3.36 5.31 -0.58 -0.16 -5.02 120.64 117.10 3i1q n GLU 42 Ca 0.00 -1.12 -0.19 0.00 -0.42 0.00 0.00 57.16 55.43 3i1q n GLU 42 Cb 0.06 -0.70 0.06 0.00 -0.57 0.00 0.00 31.44 30.29 3i1q n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i1q n GLY 43 N -0.26 -1.13 0.00 0.62 0.00 -0.43 -4.92 105.19 99.06 3i1q n GLY 43 Ca 0.02 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.59 3i1q n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i1q n PHE 44 N -3.38 0.00 -3.70 1.61 3.72 0.14 -5.00 117.46 110.85 3i1q n PHE 44 Ca -0.07 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.18 3i1q n PHE 44 Cb 0.60 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 39.07 3i1q n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 3i1q s ILE 45 N -0.78 0.04 0.07 4.37 -4.36 -1.06 -4.30 121.20 115.19 3i1q s ILE 45 Ca 0.00 -0.37 -0.32 0.00 -0.26 0.00 0.00 60.65 59.71 3i1q s ILE 45 Cb 0.00 -0.71 -0.19 0.00 1.25 0.00 0.00 42.46 42.81 3i1q s ILE 45 CO 0.00 -0.20 1.63 -0.08 0.24 0.00 0.00 174.94 176.53 3i1q h GLU 46 N 3.64 -0.79 -1.55 0.37 4.81 -1.46 -3.36 114.58 116.24 3i1q h GLU 46 Ca -0.29 0.05 0.11 0.00 -0.13 0.00 0.00 59.36 59.11 3i1q h GLU 46 Cb 1.17 0.18 -0.23 0.00 0.63 0.00 0.00 28.75 30.50 3i1q h GLU 46 CO 0.40 -0.52 0.61 0.16 -0.73 0.00 0.00 179.01 178.93 3i1q s ASP 47 N -4.48 -0.31 1.00 1.04 -4.77 -1.26 -4.90 116.67 102.99 3i1q s ASP 47 Ca -0.17 0.30 -0.15 0.00 -3.30 0.00 0.00 52.55 49.23 3i1q s ASP 47 Cb 0.04 0.26 0.20 0.00 -1.09 0.00 0.00 42.92 42.33 3i1q s ASP 47 CO 0.62 -0.32 1.19 2.22 0.70 0.00 0.00 175.17 179.59 3i1q n PHE 48 N 0.58 -4.00 -3.26 2.11 -1.74 -1.26 -2.67 117.46 107.23 3i1q n PHE 48 Ca -0.08 -1.05 0.03 0.00 -0.56 0.00 0.00 57.45 55.79 3i1q n PHE 48 Cb 0.58 -0.92 -0.04 0.00 1.52 0.00 0.00 39.48 40.62 3i1q n PHE 48 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 3i1q s LYS 49 N -5.60 0.04 -1.13 3.97 1.02 -0.81 -4.93 119.74 112.29 3i1q s LYS 49 Ca 0.67 0.09 -0.06 0.00 0.02 0.00 0.00 55.97 56.70 3i1q s LYS 49 Cb -0.02 0.05 0.27 0.00 -0.52 0.00 0.00 37.83 37.61 3i1q s LYS 49 CO 0.47 -0.01 1.55 1.55 -0.92 0.00 0.00 175.35 178.00 3i1q n VAL 50 N 4.33 5.05 -0.61 3.17 3.14 -1.26 -0.35 118.33 131.79 3i1q n VAL 50 Ca -0.08 -5.52 -0.15 0.00 -2.96 0.00 0.00 64.34 55.63 3i1q n VAL 50 Cb 0.56 -2.18 -0.04 0.00 -1.06 0.00 0.00 33.84 31.11 3i1q n VAL 50 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3i1q n GLU 51 N 2.08 1.57 -3.99 1.45 4.71 -0.78 -4.80 120.64 120.88 3i1q n GLU 51 Ca 0.29 -1.04 -0.14 0.00 -0.01 0.00 0.00 57.16 56.26 3i1q n GLU 51 Cb 0.34 -2.16 -0.14 0.00 -1.01 0.00 0.00 31.44 28.47 3i1q n GLU 51 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 3i1q s GLY 52 N 3.13 0.11 0.00 0.62 0.00 -1.26 -4.31 107.32 105.61 3i1q s GLY 52 Ca 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.99 3i1q s GLY 52 CO -0.02 -0.06 0.00 1.22 0.00 0.00 0.00 173.10 174.24 3i1q n ASP 53 N 3.05 0.00 0.08 1.64 8.00 -1.26 -4.78 116.55 123.28 3i1q n ASP 53 Ca -0.13 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.17 3i1q n ASP 53 Cb 0.59 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.54 3i1q n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i1q h THR 54 N 0.00 1.07 -3.55 -3.53 1.03 -2.02 -3.39 112.91 102.52 3i1q h THR 54 Ca 0.00 -2.66 -0.79 0.00 -0.01 0.00 0.00 66.41 62.95 3i1q h THR 54 Cb 0.00 2.80 -0.29 0.00 -1.07 0.00 0.00 68.15 69.59 3i1q h THR 54 CO 0.00 0.84 0.39 -0.54 -0.01 0.00 0.00 175.52 176.19 3i1q s LYS 55 N -2.60 4.10 -0.02 0.00 1.02 -1.26 -5.04 119.74 115.95 3i1q s LYS 55 Ca -0.12 -3.20 -0.35 0.00 0.02 0.00 0.00 55.97 52.32 3i1q s LYS 55 Cb 0.06 -4.50 -0.13 0.00 -0.52 0.00 0.00 37.83 32.74 3i1q s LYS 55 CO 0.87 -1.24 1.72 -2.30 -0.92 0.00 0.00 175.35 173.48 3i1q n PRO 56 N 2.71 1.97 -3.98 -1.68 -0.02 -1.26 -4.81 135.00 127.93 3i1q n PRO 56 Ca 0.23 0.72 -0.34 0.00 -2.02 0.00 0.00 63.50 62.09 3i1q n PRO 56 Cb 0.39 -2.50 -0.15 0.00 -0.02 0.00 0.00 33.50 31.22 3i1q n PRO 56 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3i1q s GLU 57 N 2.71 3.13 0.11 -0.52 2.56 -1.26 0.44 118.70 125.86 3i1q s GLU 57 Ca 0.88 -0.78 -0.18 0.00 0.00 0.00 0.00 54.97 54.90 3i1q s GLU 57 Cb -0.75 -2.88 -0.07 0.00 2.00 0.00 0.00 34.13 32.43 3i1q s GLU 57 CO 0.48 -0.26 0.58 -1.17 -0.56 0.00 0.00 175.26 174.33 3i1q s LEU 58 N 1.39 4.45 -0.07 2.70 1.98 0.35 -1.86 118.68 127.62 3i1q s LEU 58 Ca 0.04 1.22 0.03 0.00 -2.89 0.00 0.00 54.13 52.53 3i1q s LEU 58 Cb -0.15 -3.08 0.01 0.00 0.66 0.00 0.00 46.19 43.64 3i1q s LEU 58 CO -0.06 0.20 -0.16 -0.70 -1.89 0.00 0.00 176.35 173.73 3i1q s GLU 59 N -1.46 2.09 -0.10 1.98 -6.30 0.53 -1.13 118.70 114.30 3i1q s GLU 59 Ca 0.33 -0.57 0.03 0.00 -2.50 0.00 0.00 54.97 52.26 3i1q s GLU 59 Cb -0.18 -1.68 0.01 0.00 0.00 0.00 0.00 34.13 32.28 3i1q s GLU 59 CO 0.19 0.10 -0.20 -0.51 0.02 0.00 0.00 175.26 174.86 3i1q s LEU 60 N 0.49 1.94 -0.29 2.70 1.43 0.11 -1.92 118.68 123.14 3i1q s LEU 60 Ca -0.14 -0.50 -0.21 0.00 -1.03 0.00 0.00 54.13 52.25 3i1q s LEU 60 Cb -0.16 -1.25 -0.01 0.00 0.03 0.00 0.00 46.19 44.80 3i1q s LEU 60 CO 0.05 0.09 0.67 -0.89 0.23 0.00 0.00 176.35 176.50 3i1q s THR 61 N 0.62 4.91 0.85 5.49 2.01 -1.09 -0.17 115.64 128.27 3i1q s THR 61 Ca -0.13 1.01 -0.13 0.00 0.31 0.00 0.00 61.69 62.75 3i1q s THR 61 Cb -0.16 -4.02 0.11 0.00 0.01 0.00 0.00 72.50 68.43 3i1q s THR 61 CO 0.04 -0.13 1.19 -0.76 -0.69 0.00 0.00 174.62 174.27 3i1q s LEU 62 N 2.67 2.39 -0.07 4.42 2.01 -1.26 -1.38 118.68 127.46 3i1q s LEU 62 Ca 0.27 0.76 0.03 0.00 0.01 0.00 0.00 54.13 55.20 3i1q s LEU 62 Cb -0.15 -3.16 0.01 0.00 0.01 0.00 0.00 46.19 42.90 3i1q s LEU 62 CO 0.11 -2.17 -0.16 -0.54 1.01 0.00 0.00 176.35 174.61 3i1q s LYS 63 N -5.55 2.05 -0.15 1.70 1.02 -1.26 -4.52 119.74 113.03 3i1q s LYS 63 Ca 0.64 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 56.09 3i1q s LYS 63 Cb -0.11 -1.64 0.02 0.00 -0.52 0.00 0.00 37.83 35.58 3i1q s LYS 63 CO 0.50 0.08 -0.14 0.71 -0.92 0.00 0.00 175.35 175.59 3i1q s TYR 64 N 0.53 2.18 0.00 3.18 1.51 -1.26 -2.42 117.35 121.07 3i1q s TYR 64 Ca -0.15 -1.24 0.00 0.00 -1.01 0.00 0.00 57.07 54.67 3i1q s TYR 64 Cb -0.16 -1.60 0.00 0.00 -0.11 0.00 0.00 41.96 40.09 3i1q s TYR 64 CO 0.05 -0.67 0.00 0.34 -1.11 0.00 0.00 175.55 174.16 3i1q n PHE 65 N 4.77 0.00 0.00 2.71 7.35 -0.60 -4.98 117.46 126.71 3i1q n PHE 65 Ca -0.17 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.52 3i1q n PHE 65 Cb 0.50 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.33 3i1q n PHE 65 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 3i1q n GLN 66 N 0.00 0.00 -0.30 -4.13 3.00 -1.26 -4.68 117.38 110.01 3i1q n GLN 66 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.07 3i1q n GLN 66 Cb 0.00 0.00 0.24 0.00 0.00 0.00 0.00 30.24 30.48 3i1q n GLN 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i1q n GLY 67 N 0.26 1.56 3.32 1.08 0.00 -1.26 -4.93 105.19 105.23 3i1q n GLY 67 Ca 0.00 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 3i1q n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1q s LYS 68 N -1.37 1.12 0.00 1.61 1.02 -1.26 -5.17 119.74 115.70 3i1q s LYS 68 Ca 0.36 -1.17 0.00 0.00 0.02 0.00 0.00 55.97 55.18 3i1q s LYS 68 Cb 0.19 0.37 0.00 0.00 -0.52 0.00 0.00 37.83 37.87 3i1q s LYS 68 CO 0.23 -0.40 0.00 0.00 -0.92 0.00 0.00 175.35 174.26 3i1q n ALA 69 N -0.20 0.00 0.00 5.17 0.00 -1.26 -1.55 120.51 122.67 3i1q n ALA 69 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3i1q n ALA 69 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 3i1q n ALA 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i1q n VAL 70 N 0.00 0.01 -2.02 0.00 0.31 -1.02 -3.70 118.33 111.91 3i1q n VAL 70 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.96 3i1q n VAL 70 Cb 0.00 -1.21 -0.03 0.00 -0.91 0.00 0.00 33.84 31.69 3i1q n VAL 70 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3i1q s VAL 71 N -2.00 3.35 0.00 2.52 1.01 -1.26 -4.89 120.40 119.12 3i1q s VAL 71 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.12 3i1q s VAL 71 Cb 0.00 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.47 3i1q s VAL 71 CO 0.00 -0.88 0.78 1.21 0.00 0.00 0.00 175.10 176.21 3i1q n GLU 72 N 9.15 0.00 -4.23 2.72 4.07 0.39 -4.79 120.64 127.95 3i1q n GLU 72 Ca 0.23 0.46 -0.19 0.00 -0.06 0.00 0.00 57.16 57.59 3i1q n GLU 72 Cb 0.52 -1.28 -0.12 0.00 -0.06 0.00 0.00 31.44 30.50 3i1q n GLU 72 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 3i1q s SER 73 N -2.36 1.73 -0.42 4.31 1.04 -1.23 -4.99 113.70 111.79 3i1q s SER 73 Ca 0.00 -0.57 0.04 0.00 0.48 0.00 0.00 55.95 55.90 3i1q s SER 73 Cb 0.00 -0.07 0.17 0.00 0.10 0.00 0.00 66.02 66.22 3i1q s SER 73 CO 0.00 -0.03 0.35 0.00 0.98 0.00 0.00 173.24 174.54 3i1q n ILE 74 N 1.45 -1.13 -2.58 -1.02 0.13 -1.26 -1.44 119.36 113.52 3i1q n ILE 74 Ca -0.20 -3.48 -0.25 0.00 -1.10 0.00 0.00 62.75 57.71 3i1q n ILE 74 Cb 0.54 -1.68 0.03 0.00 -0.84 0.00 0.00 39.64 37.69 3i1q n ILE 74 CO 0.00 0.00 0.00 -1.10 2.80 0.00 0.00 176.55 178.25 3i1q s GLN 75 N -0.04 2.90 0.19 9.51 -1.52 -1.11 -4.74 119.66 124.87 3i1q s GLN 75 Ca 0.33 -0.21 0.06 0.00 -1.95 0.00 0.00 55.36 53.58 3i1q s GLN 75 Cb 0.04 -2.37 -0.04 0.00 -0.22 0.00 0.00 33.01 30.43 3i1q s GLN 75 CO -0.20 -0.60 0.17 0.50 -0.25 0.00 0.00 175.29 174.91 3i1q s ARG 76 N -4.86 2.94 0.00 2.91 3.00 -1.26 -2.32 118.95 119.36 3i1q s ARG 76 Ca 0.53 -0.92 0.00 0.00 -1.00 0.00 0.00 55.73 54.34 3i1q s ARG 76 Cb -0.10 -2.64 0.00 0.00 0.00 0.00 0.00 34.95 32.21 3i1q s ARG 76 CO 0.42 0.46 0.00 0.28 0.00 0.00 0.00 175.30 176.46 3i1q n VAL 77 N -0.64 0.00 -1.51 7.11 0.31 0.62 -4.88 118.33 119.34 3i1q n VAL 77 Ca -0.08 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.89 3i1q n VAL 77 Cb 0.56 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.35 3i1q n VAL 77 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3i1q n SER 78 N 0.00 0.40 -4.75 4.52 2.88 -0.84 -4.85 113.62 110.97 3i1q n SER 78 Ca 0.00 -0.13 -0.23 0.00 -1.33 0.00 0.00 58.87 57.18 3i1q n SER 78 Cb 0.00 -1.00 -0.06 0.00 -0.75 0.00 0.00 64.21 62.40 3i1q n SER 78 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i1q s ARG 79 N 8.55 2.39 0.46 -1.46 1.70 -0.66 -4.75 118.95 125.18 3i1q s ARG 79 Ca 1.27 -1.57 0.18 0.00 -0.47 0.00 0.00 55.73 55.14 3i1q s ARG 79 Cb -0.97 -2.18 1.15 0.00 -0.57 0.00 0.00 34.95 32.38 3i1q s ARG 79 CO 0.45 0.05 1.97 -1.00 -1.08 0.00 0.00 175.30 175.69 3i1q h PRO 80 N 1.47 0.27 0.00 3.89 0.13 -1.92 0.55 132.00 136.39 3i1q h PRO 80 Ca -0.43 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3i1q h PRO 80 Cb 1.25 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3i1q h PRO 80 CO 0.63 0.18 -0.03 0.78 -0.23 0.00 0.00 178.00 179.33 3i1q h GLY 81 N 0.28 0.00 -5.10 1.56 0.00 -1.96 -3.41 103.07 94.43 3i1q h GLY 81 Ca 0.29 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.48 3i1q h GLY 81 CO -0.07 0.00 -0.48 -2.27 0.00 0.00 0.00 176.54 173.73 3i1q s LEU 82 N -5.64 -1.43 0.09 3.11 0.20 0.17 -5.14 118.68 110.04 3i1q s LEU 82 Ca 0.08 -1.61 -0.30 0.00 0.69 0.00 0.00 54.13 52.98 3i1q s LEU 82 Cb 0.08 1.87 -0.06 0.00 -0.43 0.00 0.00 46.19 47.65 3i1q s LEU 82 CO 0.65 -0.06 1.20 -0.13 -0.29 0.00 0.00 176.35 177.72 3i1q s ARG 83 N 0.97 4.45 -0.17 1.98 1.81 0.05 -1.66 118.95 126.38 3i1q s ARG 83 Ca 0.28 1.80 0.01 0.00 -1.72 0.00 0.00 55.73 56.11 3i1q s ARG 83 Cb -0.00 -3.32 0.01 0.00 -0.45 0.00 0.00 34.95 31.19 3i1q s ARG 83 CO -0.05 -0.22 -0.20 0.42 -0.68 0.00 0.00 175.30 174.57 3i1q s ILE 84 N 0.79 2.16 -0.18 1.52 -1.09 -1.26 -4.91 121.20 118.23 3i1q s ILE 84 Ca 0.57 -0.92 -0.02 0.00 -2.23 0.00 0.00 60.65 58.05 3i1q s ILE 84 Cb -0.30 -1.89 -0.01 0.00 -1.58 0.00 0.00 42.46 38.67 3i1q s ILE 84 CO 0.31 0.54 -0.08 -0.31 -1.23 0.00 0.00 174.94 174.16 3i1q s TYR 85 N 1.09 2.91 0.26 3.97 1.51 -1.26 -2.96 117.35 122.86 3i1q s TYR 85 Ca -0.00 -0.79 0.11 0.00 -1.01 0.00 0.00 57.07 55.38 3i1q s TYR 85 Cb -0.14 -1.99 -0.05 0.00 -0.11 0.00 0.00 41.96 39.68 3i1q s TYR 85 CO -0.08 -0.38 -0.16 0.15 -1.11 0.00 0.00 175.55 173.97 3i1q s LYS 86 N 0.93 1.80 0.00 -0.62 3.01 -0.30 -5.00 119.74 119.57 3i1q s LYS 86 Ca -0.01 -1.63 0.00 0.00 -1.01 0.00 0.00 55.97 53.31 3i1q s LYS 86 Cb -0.15 -1.88 0.00 0.00 -1.01 0.00 0.00 37.83 34.79 3i1q s LYS 86 CO 0.00 0.35 0.00 0.54 0.51 0.00 0.00 175.35 176.75 3i1q n ARG 87 N -0.51 0.00 0.00 1.68 1.74 -1.26 -2.54 116.66 115.78 3i1q n ARG 87 Ca -0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 3i1q n ARG 87 Cb 0.59 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.03 3i1q n ARG 87 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 3i1q n LYS 88 N 0.00 0.00 -0.03 5.56 2.85 -1.26 -2.85 118.16 122.44 3i1q n LYS 88 Ca 0.00 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.37 3i1q n LYS 88 Cb 0.00 0.00 0.54 0.00 -0.65 0.00 0.00 35.03 34.92 3i1q n LYS 88 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3i1q n ASP 89 N -1.65 0.68 0.00 -5.58 9.92 -1.26 -3.36 116.55 115.30 3i1q n ASP 89 Ca 0.00 -1.47 0.00 0.00 -0.53 0.00 0.00 54.79 52.79 3i1q n ASP 89 Cb 0.00 -0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.45 3i1q n ASP 89 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 3i1q n GLU 90 N -0.36 4.47 -1.51 -1.24 2.13 -1.26 -5.06 120.64 117.80 3i1q n GLU 90 Ca 0.16 -0.14 -0.42 0.00 0.66 0.00 0.00 57.16 57.43 3i1q n GLU 90 Cb 0.18 -0.62 0.01 0.00 0.27 0.00 0.00 31.44 31.28 3i1q n GLU 90 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3i1q n LEU 91 N -0.68 0.89 -4.75 4.31 4.77 -1.21 -4.75 117.00 115.58 3i1q n LEU 91 Ca 0.00 0.95 -0.40 0.00 -0.03 0.00 0.00 56.01 56.53 3i1q n LEU 91 Cb 0.00 -1.19 -0.05 0.00 -2.33 0.00 0.00 43.42 39.85 3i1q n LEU 91 CO 0.00 -2.42 0.54 -2.16 -1.33 0.00 0.00 177.39 172.02 3i1q s PRO 92 N -1.74 4.59 -0.40 3.23 0.04 -1.26 -5.03 135.00 134.43 3i1q s PRO 92 Ca 0.64 1.22 0.03 0.00 0.04 0.00 0.00 61.00 62.92 3i1q s PRO 92 Cb -0.59 -3.34 0.11 0.00 0.04 0.00 0.00 34.50 30.72 3i1q s PRO 92 CO 0.57 0.34 0.13 -1.59 0.04 0.00 0.00 177.00 176.49 3i1q s LYS 93 N -0.34 1.71 0.63 4.56 -2.85 -1.26 -4.65 119.74 117.53 3i1q s LYS 93 Ca 0.40 -2.05 -0.18 0.00 -1.00 0.00 0.00 55.97 53.14 3i1q s LYS 93 Cb -0.22 -3.31 -0.02 0.00 -2.06 0.00 0.00 37.83 32.22 3i1q s LYS 93 CO 0.26 -1.00 1.27 0.08 0.10 0.00 0.00 175.35 176.05 3i1q s VAL 94 N 0.66 2.23 -1.68 1.79 1.01 -1.26 -3.36 120.40 119.79 3i1q s VAL 94 Ca 0.12 0.15 -0.16 0.00 0.00 0.00 0.00 61.98 62.09 3i1q s VAL 94 Cb -0.21 -3.05 0.14 0.00 0.00 0.00 0.00 36.38 33.26 3i1q s VAL 94 CO -0.06 -0.03 0.65 0.23 0.00 0.00 0.00 175.10 175.89 3i1q n MET 95 N -1.81 -2.60 -3.79 2.72 2.81 -1.22 -0.62 117.12 112.61 3i1q n MET 95 Ca 0.15 0.32 -0.29 0.00 -1.81 0.00 0.00 57.70 56.06 3i1q n MET 95 Cb 0.49 -4.84 -0.01 0.00 -0.71 0.00 0.00 33.22 28.15 3i1q n MET 95 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i1q n ALA 96 N -4.35 -1.17 0.00 3.04 0.00 -1.21 -1.53 120.51 115.29 3i1q n ALA 96 Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3i1q n ALA 96 Cb 0.53 -3.28 0.00 0.00 0.00 0.00 0.00 19.45 16.70 3i1q n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1q n GLY 97 N -1.31 3.37 3.67 0.00 0.00 0.21 -5.07 105.19 106.05 3i1q n GLY 97 Ca 0.04 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 3i1q n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i1q s LEU 98 N 0.00 2.28 0.28 0.99 1.43 -0.58 -4.67 118.68 118.41 3i1q s LEU 98 Ca 0.00 1.75 0.00 0.00 -1.03 0.00 0.00 54.13 54.85 3i1q s LEU 98 Cb 0.00 -4.11 0.00 0.00 0.03 0.00 0.00 46.19 42.11 3i1q s LEU 98 CO 0.00 -2.99 0.00 0.61 0.23 0.00 0.00 176.35 174.20 3i1q n GLY 99 N -0.38 -1.48 3.17 -3.19 0.00 -1.26 -3.39 105.19 98.67 3i1q n GLY 99 Ca 0.08 -0.60 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 3i1q n GLY 99 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i1q s ILE 100 N -3.17 0.14 -0.23 -0.61 -4.36 -0.08 -4.53 121.20 108.36 3i1q s ILE 100 Ca 0.00 -1.16 -0.09 0.00 -0.26 0.00 0.00 60.65 59.14 3i1q s ILE 100 Cb 0.00 -1.18 -0.04 0.00 1.25 0.00 0.00 42.46 42.49 3i1q s ILE 100 CO 0.00 -0.64 0.12 0.00 0.24 0.00 0.00 174.94 174.65 3i1q s ALA 101 N -3.33 3.45 -0.63 2.27 0.00 -1.26 -0.17 121.76 122.09 3i1q s ALA 101 Ca 0.01 -0.92 -0.24 0.00 0.00 0.00 0.00 51.96 50.81 3i1q s ALA 101 Cb 0.03 -2.18 0.05 0.00 0.00 0.00 0.00 23.12 21.03 3i1q s ALA 101 CO -0.08 -0.19 1.00 0.08 0.00 0.00 0.00 175.76 176.57 3i1q s VAL 102 N 1.07 4.26 0.00 0.00 1.01 0.19 -0.63 120.40 126.30 3i1q s VAL 102 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.03 3i1q s VAL 102 Cb -0.14 -4.67 0.00 0.00 0.00 0.00 0.00 36.38 31.58 3i1q s VAL 102 CO 0.04 -1.39 0.00 1.33 0.00 0.00 0.00 175.10 175.08 3i1q n VAL 103 N 6.09 0.00 -3.36 2.92 0.24 -1.19 -0.36 118.33 122.67 3i1q n VAL 103 Ca -0.01 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.31 3i1q n VAL 103 Cb 0.47 -1.91 -0.03 0.00 -1.47 0.00 0.00 33.84 30.90 3i1q n VAL 103 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3i1q s SER 104 N -1.00 -0.82 0.36 -1.34 0.15 -0.47 -4.40 113.70 106.18 3i1q s SER 104 Ca 0.00 0.88 0.07 0.00 0.70 0.00 0.00 55.95 57.60 3i1q s SER 104 Cb 0.00 1.84 -0.07 0.00 -1.71 0.00 0.00 66.02 66.08 3i1q s SER 104 CO 0.00 -0.16 -0.02 0.42 1.20 0.00 0.00 173.24 174.68 3i1q s THR 105 N 2.71 1.87 0.27 6.45 -4.23 -0.23 -2.99 115.64 119.50 3i1q s THR 105 Ca 0.01 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 3i1q s THR 105 Cb -0.10 -2.78 0.28 0.00 1.34 0.00 0.00 72.50 71.24 3i1q s THR 105 CO -0.17 -0.10 1.68 0.77 -0.54 0.00 0.00 174.62 176.25 3i1q h SER 106 N 1.98 0.13 -3.70 3.99 4.64 -2.03 -2.96 113.55 115.60 3i1q h SER 106 Ca -0.42 0.16 -0.79 0.00 -0.47 0.00 0.00 61.79 60.27 3i1q h SER 106 Cb 1.24 0.19 -0.28 0.00 -0.31 0.00 0.00 62.40 63.24 3i1q h SER 106 CO 0.74 -0.05 0.23 -0.54 -0.87 0.00 0.00 176.83 176.34 3i1q s LYS 107 N -5.96 3.82 0.02 4.77 1.02 -1.26 -5.01 119.74 117.14 3i1q s LYS 107 Ca -0.12 -2.87 0.00 0.00 0.02 0.00 0.00 55.97 53.00 3i1q s LYS 107 Cb 0.24 -4.43 0.00 0.00 -0.52 0.00 0.00 37.83 33.12 3i1q s LYS 107 CO 0.77 -1.26 0.00 0.41 -0.92 0.00 0.00 175.35 174.35 3i1q n GLY 108 N 3.26 -2.08 3.10 -3.33 0.00 -1.12 -4.77 105.19 100.25 3i1q n GLY 108 Ca 0.19 -1.48 -0.37 0.00 0.00 0.00 0.00 46.02 44.36 3i1q n GLY 108 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i1q n VAL 109 N -2.48 3.36 0.00 1.61 0.31 -1.26 -1.07 118.33 118.80 3i1q n VAL 109 Ca -0.00 -5.21 0.00 0.00 -0.01 0.00 0.00 64.34 59.12 3i1q n VAL 109 Cb 0.02 -2.38 0.00 0.00 -0.91 0.00 0.00 33.84 30.57 3i1q n VAL 109 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 3i1q n MET 110 N 2.22 2.95 -4.43 5.55 2.00 -1.26 -4.86 117.12 119.28 3i1q n MET 110 Ca 0.23 0.00 -0.21 0.00 0.00 0.00 0.00 57.70 57.72 3i1q n MET 110 Cb 0.37 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.49 3i1q n MET 110 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 3i1q s THR 111 N 2.47 1.09 0.14 2.03 -4.23 -1.26 -3.16 115.64 112.72 3i1q s THR 111 Ca 0.00 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.35 3i1q s THR 111 Cb 0.00 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 71.08 3i1q s THR 111 CO 0.00 0.00 1.71 -2.24 -0.54 0.00 0.00 174.62 173.55 3i1q h ASP 112 N 2.15 0.53 -0.28 3.99 2.03 -1.19 0.75 116.42 124.40 3i1q h ASP 112 Ca -0.40 -0.13 0.02 0.00 -0.73 0.00 0.00 57.03 55.78 3i1q h ASP 112 Cb 1.25 -0.14 -0.02 0.00 -0.83 0.00 0.00 39.33 39.59 3i1q h ASP 112 CO 0.68 0.52 0.14 -0.09 -1.03 0.00 0.00 179.24 179.46 3i1q h ARG 113 N 0.51 0.29 -0.14 4.15 2.43 -1.90 -1.82 114.38 117.90 3i1q h ARG 113 Ca 0.14 -0.02 -0.21 0.00 -0.81 0.00 0.00 59.98 59.08 3i1q h ARG 113 Cb 0.13 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3i1q h ARG 113 CO -0.02 0.19 -0.74 0.00 -1.51 0.00 0.00 179.97 177.90 3i1q h ALA 114 N 1.14 0.27 0.00 2.80 0.00 -1.88 -2.79 119.26 118.81 3i1q h ALA 114 Ca 0.12 -0.59 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 3i1q h ALA 114 Cb 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3i1q h ALA 114 CO -0.08 0.62 -0.22 0.00 0.00 0.00 0.00 179.25 179.57 3i1q h ALA 115 N 0.53 1.16 -0.10 0.00 0.00 0.49 -2.37 119.26 118.97 3i1q h ALA 115 Ca -0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3i1q h ALA 115 Cb 1.37 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 3i1q h ALA 115 CO 0.15 0.28 -0.03 -0.09 0.00 0.00 0.00 179.25 179.56 3i1q h ARG 116 N 0.00 0.19 0.00 0.00 9.65 -1.09 -1.91 114.38 121.22 3i1q h ARG 116 Ca -0.00 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 3i1q h ARG 116 Cb 0.59 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.16 3i1q h ARG 116 CO 0.03 0.51 0.00 1.04 2.80 0.00 0.00 179.97 184.35 3i1q n GLN 117 N -4.76 0.09 0.02 0.20 6.02 -1.07 -2.38 117.38 115.48 3i1q n GLN 117 Ca -0.06 0.16 0.11 0.00 -0.01 0.00 0.00 57.00 57.20 3i1q n GLN 117 Cb 0.24 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 30.06 3i1q n GLN 117 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i1q n ALA 118 N -1.43 3.59 -1.04 -1.58 0.00 -0.90 -4.98 120.51 114.17 3i1q n ALA 118 Ca 0.06 -0.41 -0.01 0.00 0.00 0.00 0.00 53.44 53.07 3i1q n ALA 118 Cb 0.20 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 3i1q n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1q n GLY 119 N 1.41 0.51 0.00 0.00 0.00 -0.76 -5.00 105.19 101.35 3i1q n GLY 119 Ca 0.03 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3i1q n GLY 119 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3i1q n LEU 120 N -0.16 0.00 0.00 0.99 -0.00 -1.04 -5.01 117.00 111.79 3i1q n LEU 120 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 3i1q n LEU 120 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.48 3i1q n LEU 120 CO 0.02 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.02 3i1q n GLY 121 N 2.70 0.99 0.00 1.47 0.00 -1.13 -4.23 105.19 104.99 3i1q n GLY 121 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 3i1q n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1q n GLY 122 N -0.54 1.63 3.71 -0.02 0.00 -1.05 -4.76 105.19 104.16 3i1q n GLY 122 Ca 0.00 0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3i1q n GLY 122 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i1q s GLU 123 N 4.59 4.45 -0.54 1.61 2.12 -1.16 -1.15 118.70 128.62 3i1q s GLU 123 Ca 0.00 0.96 -0.21 0.00 0.36 0.00 0.00 54.97 56.08 3i1q s GLU 123 Cb 0.00 -3.45 0.05 0.00 0.26 0.00 0.00 34.13 30.99 3i1q s GLU 123 CO 0.00 0.04 0.79 0.96 -0.54 0.00 0.00 175.26 176.51 3i1q s ILE 124 N 0.85 4.63 -0.05 -3.70 -4.36 -1.16 -1.37 121.20 116.05 3i1q s ILE 124 Ca 0.40 -0.20 -0.26 0.00 -0.26 0.00 0.00 60.65 60.33 3i1q s ILE 124 Cb -0.18 -4.44 -0.21 0.00 1.25 0.00 0.00 42.46 38.88 3i1q s ILE 124 CO 0.19 -1.00 1.12 0.40 0.24 0.00 0.00 174.94 175.89 3i1q h ILE 125 N 5.94 1.42 -2.22 8.37 5.03 -0.95 -2.24 117.51 132.85 3i1q h ILE 125 Ca -0.27 -1.40 -0.07 0.00 -0.12 0.00 0.00 64.86 63.00 3i1q h ILE 125 Cb 1.08 2.36 -0.20 0.00 -3.03 0.00 0.00 36.82 37.03 3i1q h ILE 125 CO 1.04 0.36 0.07 0.00 -0.68 0.00 0.00 178.15 178.94 3i1q s TYR 127 N -0.76 3.57 -0.01 0.00 2.02 -0.98 -0.64 117.35 120.56 3i1q s TYR 127 Ca -0.08 0.55 0.05 0.00 -0.37 0.00 0.00 57.07 57.22 3i1q s TYR 127 Cb -0.02 -1.97 -0.01 0.00 -0.40 0.00 0.00 41.96 39.55 3i1q s TYR 127 CO 0.06 0.61 -0.17 0.08 -1.57 0.00 0.00 175.55 174.57 3i1q s VAL 128 N -1.30 1.36 0.00 0.71 1.01 0.77 -2.73 120.40 120.21 3i1q s VAL 128 Ca 0.28 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.49 3i1q s VAL 128 Cb -0.13 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.11 3i1q s VAL 128 CO 0.16 0.36 0.04 0.00 0.00 0.00 0.00 175.10 175.67