#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1z n MET 2 N 0.00 0.14 0.22 -1.46 2.00 -1.26 -1.58 117.12 115.18 3i1z n MET 2 Ca 0.00 0.62 0.07 0.00 0.00 0.00 0.00 57.70 58.39 3i1z n MET 2 Cb 0.00 -1.95 0.50 0.00 0.00 0.00 0.00 33.22 31.77 3i1z n MET 2 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 175.97 177.93 3i1z h GLN 3 N 0.00 0.00 -2.55 0.03 4.20 -2.08 -3.33 115.11 111.38 3i1z h GLN 3 Ca 0.00 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 58.11 3i1z h GLN 3 Cb 0.02 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 27.41 3i1z h GLN 3 CO 0.00 0.26 -0.82 -3.47 -0.67 0.00 0.00 178.83 174.13 3i1z n ASP 4 N -3.90 1.15 0.19 1.46 4.64 -0.61 -4.90 116.55 114.57 3i1z n ASP 4 Ca -0.02 -2.79 0.14 0.00 -1.38 0.00 0.00 54.79 50.75 3i1z n ASP 4 Cb 0.34 -0.64 0.53 0.00 -1.04 0.00 0.00 41.12 40.31 3i1z n ASP 4 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 3i1z h PRO 5 N 5.24 0.00 -0.03 -0.67 0.13 -1.72 -2.78 132.00 132.17 3i1z h PRO 5 Ca 0.20 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.29 3i1z h PRO 5 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3i1z h PRO 5 CO 0.54 0.00 -0.12 0.82 -0.23 0.00 0.00 178.00 179.00 3i1z h ILE 6 N 0.00 1.48 -0.43 -3.56 1.08 -1.94 -2.45 117.51 111.69 3i1z h ILE 6 Ca 0.00 -1.60 -0.10 0.00 -0.39 0.00 0.00 64.86 62.77 3i1z h ILE 6 Cb 0.52 2.46 -0.02 0.00 -3.07 0.00 0.00 36.82 36.70 3i1z h ILE 6 CO 0.00 0.43 -0.13 0.00 -0.69 0.00 0.00 178.15 177.77 3i1z h ALA 7 N 0.39 0.96 -0.65 1.87 0.00 -1.95 -0.96 119.26 118.92 3i1z h ALA 7 Ca -0.01 -0.33 0.13 0.00 0.00 0.00 0.00 54.91 54.70 3i1z h ALA 7 Cb 0.77 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3i1z h ALA 7 CO 0.03 0.61 0.44 0.22 0.00 0.00 0.00 179.25 180.55 3i1z h ASP 8 N 0.71 0.32 0.01 0.00 3.58 -1.52 0.09 116.42 119.60 3i1z h ASP 8 Ca 0.12 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 3i1z h ASP 8 Cb 0.62 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.61 3i1z h ASP 8 CO 0.04 0.18 -0.00 -0.03 -2.88 0.00 0.00 179.24 176.54 3i1z h MET 9 N 0.34 -0.01 -0.37 0.28 4.05 -0.68 0.06 114.93 118.60 3i1z h MET 9 Ca 0.31 0.00 0.11 0.00 -0.28 0.00 0.00 59.70 59.84 3i1z h MET 9 Cb 0.75 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.54 3i1z h MET 9 CO -0.08 -0.01 0.35 -0.07 0.23 0.00 0.00 176.91 177.33 3i1z h LEU 10 N -0.02 0.00 0.14 3.39 3.38 -1.28 0.20 115.31 121.11 3i1z h LEU 10 Ca -0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 3i1z h LEU 10 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3i1z h LEU 10 CO 0.00 0.00 -1.42 0.00 0.09 0.00 0.00 178.44 177.12 3i1z h THR 11 N 0.00 1.30 -0.31 0.22 1.03 -1.05 0.03 112.91 114.13 3i1z h THR 11 Ca 0.18 -2.89 -0.00 0.00 -0.01 0.00 0.00 66.41 63.68 3i1z h THR 11 Cb 0.88 2.86 -0.01 0.00 -1.07 0.00 0.00 68.15 70.81 3i1z h THR 11 CO -0.00 0.85 0.17 -0.09 -0.01 0.00 0.00 175.52 176.44 3i1z h ARG 12 N 0.08 0.42 0.07 0.00 2.43 0.14 0.22 114.38 117.74 3i1z h ARG 12 Ca -0.20 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 58.94 3i1z h ARG 12 Cb 2.01 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 31.45 3i1z h ARG 12 CO 0.19 0.35 -0.20 0.82 -1.51 0.00 0.00 179.97 179.63 3i1z h ILE 13 N 0.38 0.55 -0.35 1.20 2.04 -1.14 -2.31 117.51 117.88 3i1z h ILE 13 Ca 0.11 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.04 3i1z h ILE 13 Cb 0.05 0.55 -0.07 0.00 -0.74 0.00 0.00 36.82 36.61 3i1z h ILE 13 CO -0.02 0.00 -0.08 -0.09 0.00 0.00 0.00 178.15 177.96 3i1z h ARG 14 N -0.35 0.01 0.00 2.37 2.43 -0.42 0.38 114.38 118.79 3i1z h ARG 14 Ca 0.04 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3i1z h ARG 14 Cb 0.39 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3i1z h ARG 14 CO -0.13 0.00 0.00 0.09 -1.51 0.00 0.00 179.97 178.42 3i1z n ASN 15 N -5.27 0.41 -0.06 -3.80 4.13 0.72 -2.27 115.26 109.12 3i1z n ASN 15 Ca 0.01 0.62 -0.06 0.00 1.68 0.00 0.00 54.58 56.82 3i1z n ASN 15 Cb 0.20 -0.70 -0.05 0.00 -1.54 0.00 0.00 39.78 37.68 3i1z n ASN 15 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 3i1z h GLY 16 N 1.91 0.00 -0.03 7.41 0.00 0.31 0.56 103.07 113.23 3i1z h GLY 16 Ca 0.00 0.00 0.25 0.00 0.00 0.00 0.00 47.33 47.58 3i1z h GLY 16 CO 0.00 0.00 0.65 1.46 0.00 0.00 0.00 176.54 178.65 3i1z h GLN 17 N -1.00 0.44 -0.37 4.80 1.08 -1.34 -0.18 115.11 118.54 3i1z h GLN 17 Ca -0.01 -0.03 -0.13 0.00 -1.45 0.00 0.00 58.65 57.03 3i1z h GLN 17 Cb 0.45 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.77 3i1z h GLN 17 CO -0.01 0.29 -0.29 0.00 -0.95 0.00 0.00 178.83 177.87 3i1z h ALA 18 N 1.63 0.78 -0.64 3.87 0.00 -1.35 -2.79 119.26 120.75 3i1z h ALA 18 Ca 0.57 -0.41 -0.20 0.00 0.00 0.00 0.00 54.91 54.87 3i1z h ALA 18 Cb 1.36 -0.14 -0.12 0.00 0.00 0.00 0.00 17.79 18.89 3i1z h ALA 18 CO -0.30 0.65 0.26 0.00 0.00 0.00 0.00 179.25 179.87 3i1z n ALA 19 N -2.51 4.31 -3.59 0.00 0.00 0.20 -4.96 120.51 113.97 3i1z n ALA 19 Ca -0.01 -1.95 -0.21 0.00 0.00 0.00 0.00 53.44 51.27 3i1z n ALA 19 Cb 0.48 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.70 3i1z n ALA 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i1z n ASN 20 N -0.14 -3.83 -3.52 0.00 3.02 -0.37 -4.96 115.26 105.45 3i1z n ASN 20 Ca 0.35 -0.82 -0.20 0.00 -0.03 0.00 0.00 54.58 53.88 3i1z n ASN 20 Cb 1.24 -1.29 -0.14 0.00 -0.61 0.00 0.00 39.78 38.98 3i1z n ASN 20 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3i1z s LYS 21 N -4.57 0.16 -0.08 3.52 2.36 -0.96 -5.04 119.74 115.14 3i1z s LYS 21 Ca 0.02 0.12 0.02 0.00 -2.55 0.00 0.00 55.97 53.58 3i1z s LYS 21 Cb -0.01 -1.36 0.17 0.00 -1.05 0.00 0.00 37.83 35.58 3i1z s LYS 21 CO 0.73 -0.67 0.99 0.00 1.55 0.00 0.00 175.35 177.96 3i1z n ALA 22 N 5.31 3.02 -2.98 3.13 0.00 -1.26 -4.50 120.51 123.22 3i1z n ALA 22 Ca -0.06 -0.56 -0.10 0.00 0.00 0.00 0.00 53.44 52.73 3i1z n ALA 22 Cb 0.49 -1.07 -0.11 0.00 0.00 0.00 0.00 19.45 18.76 3i1z n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1z s ALA 23 N -1.10 0.03 -0.02 0.00 0.00 -1.26 -1.87 121.76 117.54 3i1z s ALA 23 Ca 0.13 -0.41 -0.01 0.00 0.00 0.00 0.00 51.96 51.67 3i1z s ALA 23 Cb 0.10 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.34 3i1z s ALA 23 CO 0.03 -0.14 0.04 0.08 0.00 0.00 0.00 175.76 175.78 3i1z s VAL 24 N -1.17 -0.01 0.03 0.00 1.01 -0.63 -4.93 120.40 114.69 3i1z s VAL 24 Ca -0.13 0.04 0.09 0.00 0.00 0.00 0.00 61.98 61.98 3i1z s VAL 24 Cb -0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 36.38 36.20 3i1z s VAL 24 CO -0.00 0.02 -0.26 0.42 0.00 0.00 0.00 175.10 175.27 3i1z s THR 25 N 0.24 2.12 -0.27 3.92 -4.23 -1.26 -1.83 115.64 114.34 3i1z s THR 25 Ca -0.02 -1.31 -0.27 0.00 -1.18 0.00 0.00 61.69 58.91 3i1z s THR 25 Cb -0.03 -1.80 0.17 0.00 1.34 0.00 0.00 72.50 72.18 3i1z s THR 25 CO -0.01 0.43 1.26 0.00 -0.54 0.00 0.00 174.62 175.75 3i1z s MET 26 N -1.07 0.25 0.44 3.99 0.23 -0.52 -5.00 119.30 117.62 3i1z s MET 26 Ca 0.11 0.18 -0.25 0.00 -1.03 0.00 0.00 55.69 54.70 3i1z s MET 26 Cb -0.10 0.12 -0.09 0.00 -1.53 0.00 0.00 34.83 33.23 3i1z s MET 26 CO 0.01 -0.05 1.39 -2.30 -2.03 0.00 0.00 175.02 172.04 3i1z n PRO 27 N 1.30 2.16 -2.45 3.16 -0.02 -1.26 0.19 135.00 138.08 3i1z n PRO 27 Ca -0.08 0.77 -0.27 0.00 -2.02 0.00 0.00 63.50 61.90 3i1z n PRO 27 Cb 0.57 -2.56 0.02 0.00 -0.02 0.00 0.00 33.50 31.52 3i1z n PRO 27 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3i1z s SER 28 N -0.48 5.78 -0.20 2.55 0.15 -0.53 -4.55 113.70 116.43 3i1z s SER 28 Ca 0.61 0.78 -0.12 0.00 0.70 0.00 0.00 55.95 57.92 3i1z s SER 28 Cb -0.47 -1.86 0.06 0.00 -1.71 0.00 0.00 66.02 62.05 3i1z s SER 28 CO 0.58 -0.93 0.48 -0.55 1.20 0.00 0.00 173.24 174.02 3i1z s SER 29 N -4.25 -0.61 0.58 5.45 0.15 -1.26 -4.93 113.70 108.83 3i1z s SER 29 Ca 0.52 1.04 0.22 0.00 0.70 0.00 0.00 55.95 58.43 3i1z s SER 29 Cb -0.10 0.94 1.20 0.00 -1.71 0.00 0.00 66.02 66.35 3i1z s SER 29 CO 0.45 -0.20 1.65 0.11 1.20 0.00 0.00 173.24 176.45 3i1z h LYS 30 N 6.78 0.00 0.08 5.44 1.79 -2.00 0.61 116.57 129.28 3i1z h LYS 30 Ca -0.34 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 57.76 3i1z h LYS 30 Cb 1.19 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.80 3i1z h LYS 30 CO 0.25 0.00 -2.17 -0.11 -1.08 0.00 0.00 179.45 176.34 3i1z n LEU 31 N -2.62 2.70 0.33 2.94 7.94 -1.26 -3.26 117.00 123.76 3i1z n LEU 31 Ca -0.01 0.09 0.17 0.00 -1.11 0.00 0.00 56.01 55.14 3i1z n LEU 31 Cb 0.44 -1.00 0.87 0.00 0.53 0.00 0.00 43.42 44.26 3i1z n LEU 31 CO 0.10 0.87 1.14 0.11 -1.11 0.00 0.00 177.39 178.50 3i1z h LYS 32 N 0.04 0.00 0.00 1.96 1.57 -0.22 -1.56 116.57 118.37 3i1z h LYS 32 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3i1z h LYS 32 Cb 1.99 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.30 3i1z h LYS 32 CO 0.02 0.00 -0.02 0.28 -0.57 0.00 0.00 179.45 179.17 3i1z h VAL 33 N 0.00 0.00 -0.80 0.50 2.07 -1.27 -2.52 116.25 114.23 3i1z h VAL 33 Ca 0.01 -0.24 0.31 0.00 0.82 0.00 0.00 66.70 67.60 3i1z h VAL 33 Cb 0.59 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.24 3i1z h VAL 33 CO -0.00 0.00 0.46 0.00 0.02 0.00 0.00 177.57 178.05 3i1z n ALA 34 N -2.25 0.81 0.15 1.67 0.00 -0.94 0.71 120.51 120.66 3i1z n ALA 34 Ca -0.00 0.69 -0.06 0.00 0.00 0.00 0.00 53.44 54.07 3i1z n ALA 34 Cb 0.01 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 3i1z n ALA 34 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3i1z h ILE 35 N 0.00 0.00 -0.83 0.00 2.04 -1.43 -3.35 117.51 113.93 3i1z h ILE 35 Ca 0.61 -0.27 0.12 0.00 1.00 0.00 0.00 64.86 66.32 3i1z h ILE 35 Cb 1.74 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.69 3i1z h ILE 35 CO -0.48 0.00 -0.35 0.00 0.00 0.00 0.00 178.15 177.32 3i1z n ALA 36 N -2.42 -0.16 -0.29 1.87 0.00 0.22 0.23 120.51 119.95 3i1z n ALA 36 Ca -0.05 0.81 -0.03 0.00 0.00 0.00 0.00 53.44 54.17 3i1z n ALA 36 Cb 0.17 -0.33 -0.01 0.00 0.00 0.00 0.00 19.45 19.27 3i1z n ALA 36 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i1z n ASN 37 N -5.20 -0.59 -0.04 0.00 2.85 -0.69 -0.29 115.26 111.30 3i1z n ASN 37 Ca 0.08 1.30 -0.12 0.00 -0.11 0.00 0.00 54.58 55.73 3i1z n ASN 37 Cb 0.32 -0.25 -0.07 0.00 1.24 0.00 0.00 39.78 41.01 3i1z n ASN 37 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 3i1z h VAL 38 N 0.00 1.30 -0.91 3.44 2.07 -0.36 1.21 116.25 123.00 3i1z h VAL 38 Ca 0.21 -1.00 0.25 0.00 0.82 0.00 0.00 66.70 66.97 3i1z h VAL 38 Cb 0.39 1.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.87 3i1z h VAL 38 CO -0.72 0.28 0.64 -0.07 0.02 0.00 0.00 177.57 177.72 3i1z h LEU 39 N -0.13 0.14 0.01 2.57 3.38 -0.82 0.15 115.31 120.62 3i1z h LEU 39 Ca 0.03 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3i1z h LEU 39 Cb 0.46 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3i1z h LEU 39 CO 0.01 0.05 -0.00 0.50 0.09 0.00 0.00 178.44 179.09 3i1z h LYS 40 N 0.14 -0.01 0.00 1.13 3.64 0.20 0.26 116.57 121.92 3i1z h LYS 40 Ca 0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 3i1z h LYS 40 Cb 1.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.38 3i1z h LYS 40 CO -0.07 -0.01 0.00 -1.91 -2.27 0.00 0.00 179.45 175.19 3i1z n GLU 41 N -4.57 0.06 0.00 1.90 4.07 0.41 0.30 120.64 122.82 3i1z n GLU 41 Ca -0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3i1z n GLU 41 Cb 0.01 -1.33 0.00 0.00 -0.06 0.00 0.00 31.44 30.06 3i1z n GLU 41 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3i1z n GLU 42 N -0.83 1.64 -2.70 5.31 -0.58 0.45 -5.00 120.64 118.94 3i1z n GLU 42 Ca 0.01 -1.05 -0.08 0.00 -0.42 0.00 0.00 57.16 55.61 3i1z n GLU 42 Cb 0.00 -0.82 0.02 0.00 -0.57 0.00 0.00 31.44 30.07 3i1z n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i1z n GLY 43 N -0.29 0.31 0.01 0.62 0.00 0.15 -4.94 105.19 101.05 3i1z n GLY 43 Ca 0.00 -0.40 0.08 0.00 0.00 0.00 0.00 46.02 45.70 3i1z n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i1z n PHE 44 N -3.58 0.00 -3.85 1.61 3.72 0.83 -4.94 117.46 111.25 3i1z n PHE 44 Ca -0.02 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.26 3i1z n PHE 44 Cb 0.53 -0.34 -0.14 0.00 -0.94 0.00 0.00 39.48 38.60 3i1z n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 3i1z s ILE 45 N -3.06 -0.00 0.13 4.37 -4.36 -0.78 -4.09 121.20 113.41 3i1z s ILE 45 Ca -0.05 0.02 -0.25 0.00 -0.26 0.00 0.00 60.65 60.10 3i1z s ILE 45 Cb 0.10 -0.06 -0.03 0.00 1.25 0.00 0.00 42.46 43.72 3i1z s ILE 45 CO 0.65 0.01 1.62 -0.08 0.24 0.00 0.00 174.94 177.39 3i1z h GLU 46 N 6.18 -0.37 -1.36 0.37 4.81 -1.53 -3.38 114.58 119.31 3i1z h GLU 46 Ca -0.26 0.03 0.13 0.00 -0.13 0.00 0.00 59.36 59.13 3i1z h GLU 46 Cb 1.20 0.08 -0.27 0.00 0.63 0.00 0.00 28.75 30.40 3i1z h GLU 46 CO 0.49 -0.24 0.68 0.16 -0.73 0.00 0.00 179.01 179.37 3i1z s ASP 47 N -4.92 -0.25 0.78 1.04 -4.77 -1.26 -4.96 116.67 102.33 3i1z s ASP 47 Ca -0.15 0.37 0.00 0.00 -3.30 0.00 0.00 52.55 49.47 3i1z s ASP 47 Cb 0.10 0.34 0.00 0.00 -1.09 0.00 0.00 42.92 42.27 3i1z s ASP 47 CO 0.66 -0.16 0.00 2.22 0.70 0.00 0.00 175.17 178.59 3i1z n PHE 48 N 1.22 -2.50 0.00 2.11 -1.74 -1.26 -1.92 117.46 113.38 3i1z n PHE 48 Ca -0.09 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.80 3i1z n PHE 48 Cb 0.57 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.57 3i1z n PHE 48 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 3i1z n LYS 49 N -1.13 0.00 -3.59 3.97 5.02 -0.20 -4.80 118.16 117.42 3i1z n LYS 49 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 3i1z n LYS 49 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 34.93 3i1z n LYS 49 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3i1z s VAL 50 N 0.00 4.26 -0.76 -0.18 0.11 -1.26 -0.28 120.40 122.29 3i1z s VAL 50 Ca 0.00 -2.55 -0.09 0.00 -2.93 0.00 0.00 61.98 56.40 3i1z s VAL 50 Cb 0.00 -3.74 0.20 0.00 -1.53 0.00 0.00 36.38 31.30 3i1z s VAL 50 CO 0.00 -0.88 0.65 -1.61 -3.33 0.00 0.00 175.10 169.93 3i1z s GLU 51 N 0.35 3.22 -0.29 1.54 8.01 -0.84 -4.93 118.70 125.75 3i1z s GLU 51 Ca 0.14 -2.54 -0.19 0.00 0.01 0.00 0.00 54.97 52.39 3i1z s GLU 51 Cb -0.19 -4.15 0.13 0.00 -4.31 0.00 0.00 34.13 25.61 3i1z s GLU 51 CO -0.04 -1.24 0.98 0.20 0.01 0.00 0.00 175.26 175.16 3i1z s GLY 52 N 1.49 -0.09 0.00 -1.39 0.00 -1.26 -3.15 107.32 102.92 3i1z s GLY 52 Ca 0.18 2.95 0.00 0.00 0.00 0.00 0.00 44.72 47.85 3i1z s GLY 52 CO -0.07 2.34 0.00 1.22 0.00 0.00 0.00 173.10 176.59 3i1z n ASP 53 N 3.26 0.00 -0.00 1.64 8.00 -1.26 -4.56 116.55 123.63 3i1z n ASP 53 Ca -0.17 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.42 3i1z n ASP 53 Cb 0.57 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.56 3i1z n ASP 53 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 3i1z n THR 54 N -0.41 0.00 -3.28 -3.53 5.66 -1.26 -4.53 114.28 106.92 3i1z n THR 54 Ca 0.00 -0.09 -0.26 0.00 -3.05 0.00 0.00 64.05 60.65 3i1z n THR 54 Cb 0.00 0.92 -0.07 0.00 -1.55 0.00 0.00 70.33 69.63 3i1z n THR 54 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3i1z n LYS 55 N -1.50 2.00 -1.42 1.09 5.02 -1.26 -5.10 118.16 116.99 3i1z n LYS 55 Ca 0.03 -4.20 -0.56 0.00 -2.02 0.00 0.00 58.31 51.56 3i1z n LYS 55 Cb 0.31 -1.92 -0.07 0.00 -0.02 0.00 0.00 35.03 33.32 3i1z n LYS 55 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3i1z n PRO 56 N 0.83 0.00 -4.02 1.97 -0.02 -1.26 -4.81 135.00 127.70 3i1z n PRO 56 Ca 0.27 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.44 3i1z n PRO 56 Cb 0.46 -1.41 -0.15 0.00 -0.02 0.00 0.00 33.50 32.37 3i1z n PRO 56 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3i1z s GLU 57 N -0.02 1.77 0.16 -0.52 2.56 -1.19 -1.45 118.70 120.02 3i1z s GLU 57 Ca 0.86 -1.53 -0.30 0.00 0.00 0.00 0.00 54.97 54.00 3i1z s GLU 57 Cb -1.20 -2.95 -0.07 0.00 2.00 0.00 0.00 34.13 31.91 3i1z s GLU 57 CO 0.54 -0.75 1.02 -1.17 -0.56 0.00 0.00 175.26 174.34 3i1z s LEU 58 N 1.07 4.52 -0.15 2.70 1.98 0.49 -1.99 118.68 127.29 3i1z s LEU 58 Ca 0.01 1.96 0.00 0.00 -2.89 0.00 0.00 54.13 53.21 3i1z s LEU 58 Cb -0.19 -3.60 0.03 0.00 0.66 0.00 0.00 46.19 43.08 3i1z s LEU 58 CO -0.07 -0.11 -0.12 -0.70 -1.89 0.00 0.00 176.35 173.46 3i1z s GLU 59 N -0.35 2.12 -0.19 1.98 -6.30 0.62 -1.43 118.70 115.15 3i1z s GLU 59 Ca 0.47 -0.55 -0.06 0.00 -2.50 0.00 0.00 54.97 52.33 3i1z s GLU 59 Cb -0.27 -2.07 -0.03 0.00 0.00 0.00 0.00 34.13 31.76 3i1z s GLU 59 CO 0.33 -0.27 0.03 -0.51 0.02 0.00 0.00 175.26 174.85 3i1z s LEU 60 N 1.51 3.47 -0.21 2.70 1.43 -0.76 -1.03 118.68 125.80 3i1z s LEU 60 Ca 0.04 -0.09 -0.21 0.00 -1.03 0.00 0.00 54.13 52.84 3i1z s LEU 60 Cb -0.13 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 3i1z s LEU 60 CO -0.10 0.11 0.62 -0.89 0.23 0.00 0.00 176.35 176.32 3i1z s THR 61 N 0.77 5.02 0.64 5.49 2.01 -0.81 -1.61 115.64 127.15 3i1z s THR 61 Ca 0.01 1.16 -0.08 0.00 0.31 0.00 0.00 61.69 63.09 3i1z s THR 61 Cb -0.14 -3.93 0.01 0.00 0.01 0.00 0.00 72.50 68.45 3i1z s THR 61 CO 0.02 0.10 0.98 -0.76 -0.69 0.00 0.00 174.62 174.28 3i1z s LEU 62 N 1.97 3.10 -0.12 4.42 2.01 -0.78 -1.67 118.68 127.60 3i1z s LEU 62 Ca 0.28 0.89 0.01 0.00 0.01 0.00 0.00 54.13 55.32 3i1z s LEU 62 Cb -0.16 -3.71 0.02 0.00 0.01 0.00 0.00 46.19 42.35 3i1z s LEU 62 CO 0.10 -1.17 -0.13 -0.54 1.01 0.00 0.00 176.35 175.62 3i1z s LYS 63 N -5.14 2.09 -0.12 1.70 1.02 -1.26 -4.40 119.74 113.63 3i1z s LYS 63 Ca 0.56 -0.49 0.02 0.00 0.02 0.00 0.00 55.97 56.07 3i1z s LYS 63 Cb -0.11 -1.89 -0.01 0.00 -0.52 0.00 0.00 37.83 35.31 3i1z s LYS 63 CO 0.48 -0.16 -0.18 0.71 -0.92 0.00 0.00 175.35 175.27 3i1z s TYR 64 N 1.30 2.69 0.00 3.18 1.51 -1.26 -2.38 117.35 122.38 3i1z s TYR 64 Ca -0.00 -0.85 0.00 0.00 -1.01 0.00 0.00 57.07 55.20 3i1z s TYR 64 Cb -0.14 -1.78 0.00 0.00 -0.11 0.00 0.00 41.96 39.93 3i1z s TYR 64 CO -0.06 -0.32 0.00 0.34 -1.11 0.00 0.00 175.55 174.40 3i1z n PHE 65 N 3.55 0.00 0.00 2.71 7.35 -0.82 -4.97 117.46 125.28 3i1z n PHE 65 Ca -0.19 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.50 3i1z n PHE 65 Cb 0.53 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.36 3i1z n PHE 65 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 3i1z n GLN 66 N 0.00 0.00 -0.04 -4.13 3.00 -1.26 -4.83 117.38 110.11 3i1z n GLN 66 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.77 3i1z n GLN 66 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 30.24 30.11 3i1z n GLN 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i1z n GLY 67 N 1.21 -0.62 3.96 1.08 0.00 -1.26 -4.97 105.19 104.58 3i1z n GLY 67 Ca 0.00 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 3i1z n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1z s LYS 68 N -2.50 2.13 0.00 1.61 1.02 -1.26 -5.11 119.74 115.63 3i1z s LYS 68 Ca -0.26 -0.65 0.00 0.00 0.02 0.00 0.00 55.97 55.08 3i1z s LYS 68 Cb 0.07 -2.31 0.00 0.00 -0.52 0.00 0.00 37.83 35.07 3i1z s LYS 68 CO 0.69 -1.15 0.00 0.00 -0.92 0.00 0.00 175.35 173.97 3i1z n ALA 69 N -2.73 0.00 -0.11 5.17 0.00 -1.26 -1.95 120.51 119.63 3i1z n ALA 69 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.33 3i1z n ALA 69 Cb 0.60 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.96 3i1z n ALA 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i1z n VAL 70 N -0.24 1.27 -1.95 0.00 0.31 -1.00 -4.15 118.33 112.56 3i1z n VAL 70 Ca 0.00 -0.39 -0.24 0.00 -0.01 0.00 0.00 64.34 63.70 3i1z n VAL 70 Cb 0.00 -1.60 -0.06 0.00 -0.91 0.00 0.00 33.84 31.27 3i1z n VAL 70 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3i1z s VAL 71 N -2.43 3.37 0.17 2.52 1.01 -1.26 -4.80 120.40 118.98 3i1z s VAL 71 Ca -0.31 -0.40 -0.21 0.00 0.00 0.00 0.00 61.98 61.06 3i1z s VAL 71 Cb 0.11 -3.96 0.09 0.00 0.00 0.00 0.00 36.38 32.62 3i1z s VAL 71 CO 0.45 -0.76 1.61 -0.08 0.00 0.00 0.00 175.10 176.32 3i1z h GLU 72 N 11.22 -0.18 -2.85 2.72 4.57 -1.41 -3.44 114.58 125.21 3i1z h GLU 72 Ca 0.10 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.24 3i1z h GLU 72 Cb 0.99 0.04 -0.15 0.00 -0.16 0.00 0.00 28.75 29.47 3i1z h GLU 72 CO 1.17 -0.12 0.06 -1.54 -1.18 0.00 0.00 179.01 177.40 3i1z s SER 73 N -5.11 -0.45 -0.17 1.04 1.04 -1.12 -5.06 113.70 103.88 3i1z s SER 73 Ca -0.15 0.11 -0.04 0.00 0.48 0.00 0.00 55.95 56.35 3i1z s SER 73 Cb 0.15 0.51 0.08 0.00 0.10 0.00 0.00 66.02 66.85 3i1z s SER 73 CO 0.69 -0.77 0.22 -0.51 0.98 0.00 0.00 173.24 173.85 3i1z s ILE 74 N -2.78 -0.34 0.22 -1.02 1.10 -1.26 -3.26 121.20 113.86 3i1z s ILE 74 Ca -0.03 0.06 0.10 0.00 -0.51 0.00 0.00 60.65 60.27 3i1z s ILE 74 Cb -0.00 -0.56 -0.04 0.00 0.15 0.00 0.00 42.46 42.00 3i1z s ILE 74 CO -0.04 -0.07 -0.15 -1.10 -2.11 0.00 0.00 174.94 171.47 3i1z s GLN 75 N 2.34 1.86 -0.34 3.50 -1.52 -0.53 -4.77 119.66 120.20 3i1z s GLN 75 Ca 0.05 -1.47 -0.10 0.00 -1.95 0.00 0.00 55.36 51.89 3i1z s GLN 75 Cb -0.14 -1.99 0.01 0.00 -0.22 0.00 0.00 33.01 30.67 3i1z s GLN 75 CO -0.10 0.39 0.17 0.50 -0.25 0.00 0.00 175.29 176.00 3i1z s ARG 76 N -3.04 3.09 0.00 2.91 3.00 -1.26 -1.25 118.95 122.41 3i1z s ARG 76 Ca 0.26 -0.89 0.00 0.00 -1.00 0.00 0.00 55.73 54.10 3i1z s ARG 76 Cb -0.07 -3.63 0.00 0.00 0.00 0.00 0.00 34.95 31.25 3i1z s ARG 76 CO 0.14 -0.54 0.00 0.28 0.00 0.00 0.00 175.30 175.18 3i1z n VAL 77 N 4.98 0.00 -1.51 7.11 0.31 -0.14 -4.76 118.33 124.33 3i1z n VAL 77 Ca -0.13 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.84 3i1z n VAL 77 Cb 0.48 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.26 3i1z n VAL 77 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3i1z n SER 78 N 0.00 0.22 -4.62 4.52 2.88 0.78 -4.89 113.62 112.51 3i1z n SER 78 Ca 0.00 -0.06 -0.24 0.00 -1.33 0.00 0.00 58.87 57.23 3i1z n SER 78 Cb 0.00 -0.94 -0.08 0.00 -0.75 0.00 0.00 64.21 62.44 3i1z n SER 78 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i1z s ARG 79 N 8.57 2.22 0.26 -1.46 1.70 -1.01 -4.76 118.95 124.47 3i1z s ARG 79 Ca 1.30 -1.37 -0.02 0.00 -0.47 0.00 0.00 55.73 55.17 3i1z s ARG 79 Cb -1.05 -2.16 0.57 0.00 -0.57 0.00 0.00 34.95 31.74 3i1z s ARG 79 CO 0.47 0.39 1.69 -1.00 -1.08 0.00 0.00 175.30 175.76 3i1z h PRO 80 N 2.22 0.31 -0.61 3.89 0.13 -1.90 0.16 132.00 136.19 3i1z h PRO 80 Ca -0.45 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 64.57 3i1z h PRO 80 Cb 1.24 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 3i1z h PRO 80 CO 0.59 0.20 0.01 0.78 -0.23 0.00 0.00 178.00 179.34 3i1z h GLY 81 N 0.31 1.17 -6.73 1.56 0.00 -1.97 -3.36 103.07 94.06 3i1z h GLY 81 Ca 0.47 -0.86 -0.60 0.00 0.00 0.00 0.00 47.33 46.35 3i1z h GLY 81 CO -0.53 0.79 -0.81 -2.27 0.00 0.00 0.00 176.54 173.72 3i1z s LEU 82 N -9.35 2.03 0.44 3.11 0.20 -0.29 -5.12 118.68 109.70 3i1z s LEU 82 Ca -0.12 -2.69 -0.26 0.00 0.69 0.00 0.00 54.13 51.76 3i1z s LEU 82 Cb 0.14 -0.74 -0.09 0.00 -0.43 0.00 0.00 46.19 45.06 3i1z s LEU 82 CO 0.86 -0.24 1.43 0.54 -0.29 0.00 0.00 176.35 178.64 3i1z n ARG 83 N 3.42 2.29 -4.07 1.98 5.12 0.42 -2.40 116.66 123.41 3i1z n ARG 83 Ca 0.15 0.81 -0.14 0.00 -1.93 0.00 0.00 57.85 56.75 3i1z n ARG 83 Cb 0.38 -2.61 -0.13 0.00 -1.16 0.00 0.00 32.46 28.94 3i1z n ARG 83 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3i1z s ILE 84 N -1.18 0.34 -0.12 0.55 -1.09 -1.26 -4.86 121.20 113.57 3i1z s ILE 84 Ca 0.60 -0.43 -0.10 0.00 -2.23 0.00 0.00 60.65 58.49 3i1z s ILE 84 Cb -0.46 -0.34 0.04 0.00 -1.58 0.00 0.00 42.46 40.12 3i1z s ILE 84 CO 0.59 -0.07 0.32 -0.31 -1.23 0.00 0.00 174.94 174.24 3i1z s TYR 85 N -0.49 -0.38 0.06 3.97 1.51 -1.26 -3.41 117.35 117.35 3i1z s TYR 85 Ca -0.03 0.91 0.08 0.00 -1.01 0.00 0.00 57.07 57.03 3i1z s TYR 85 Cb -0.04 0.13 -0.03 0.00 -0.11 0.00 0.00 41.96 41.91 3i1z s TYR 85 CO -0.00 -0.20 -0.21 0.15 -1.11 0.00 0.00 175.55 174.18 3i1z s LYS 86 N 0.52 1.90 0.00 -0.62 3.01 0.21 -4.97 119.74 119.80 3i1z s LYS 86 Ca -0.03 -1.08 0.00 0.00 -1.01 0.00 0.00 55.97 53.86 3i1z s LYS 86 Cb -0.04 -2.10 0.00 0.00 -1.01 0.00 0.00 37.83 34.67 3i1z s LYS 86 CO -0.03 0.52 0.00 0.54 0.51 0.00 0.00 175.35 176.89 3i1z n ARG 87 N 1.42 0.00 0.08 1.68 1.74 -1.26 -2.02 116.66 118.30 3i1z n ARG 87 Ca -0.16 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 3i1z n ARG 87 Cb 0.52 -0.22 0.00 0.00 -1.02 0.00 0.00 32.46 31.74 3i1z n ARG 87 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 3i1z n LYS 88 N 0.00 0.00 0.27 5.56 2.85 -1.26 -2.58 118.16 123.00 3i1z n LYS 88 Ca 0.00 0.00 0.14 0.00 -1.05 0.00 0.00 58.31 57.40 3i1z n LYS 88 Cb 0.00 0.00 0.75 0.00 -0.65 0.00 0.00 35.03 35.13 3i1z n LYS 88 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3i1z h ASP 89 N 0.00 0.00 0.58 -5.58 5.19 -1.96 -0.04 116.42 114.61 3i1z h ASP 89 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3i1z h ASP 89 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3i1z h ASP 89 CO 0.00 0.10 -0.11 1.21 -3.12 0.00 0.00 179.24 177.33 3i1z n GLU 90 N -3.52 0.38 -1.72 3.56 2.13 -1.26 -4.84 120.64 115.37 3i1z n GLU 90 Ca -0.02 -0.09 -0.42 0.00 0.66 0.00 0.00 57.16 57.29 3i1z n GLU 90 Cb 0.24 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.43 3i1z n GLU 90 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3i1z n LEU 91 N -1.23 4.02 -4.91 4.31 4.77 -0.03 -4.67 117.00 119.26 3i1z n LEU 91 Ca 0.12 1.06 -0.28 0.00 -0.03 0.00 0.00 56.01 56.88 3i1z n LEU 91 Cb 0.29 -1.58 0.03 0.00 -2.33 0.00 0.00 43.42 39.83 3i1z n LEU 91 CO 0.26 0.19 0.57 -2.16 -1.33 0.00 0.00 177.39 174.92 3i1z s PRO 92 N 1.12 3.03 -0.19 3.23 0.04 -1.26 -4.99 135.00 135.98 3i1z s PRO 92 Ca 0.75 0.16 -0.01 0.00 0.04 0.00 0.00 61.00 61.93 3i1z s PRO 92 Cb -0.50 -2.23 0.05 0.00 0.04 0.00 0.00 34.50 31.86 3i1z s PRO 92 CO 0.33 -0.69 -0.02 -1.59 0.04 0.00 0.00 177.00 175.07 3i1z s LYS 93 N -5.04 1.15 0.51 4.56 -2.85 -1.26 -4.83 119.74 111.99 3i1z s LYS 93 Ca 0.54 -0.59 -0.21 0.00 -1.00 0.00 0.00 55.97 54.71 3i1z s LYS 93 Cb -0.11 -2.16 -0.06 0.00 -2.06 0.00 0.00 37.83 33.44 3i1z s LYS 93 CO 0.47 -0.55 1.19 0.08 0.10 0.00 0.00 175.35 176.64 3i1z s VAL 94 N 1.67 2.88 -1.10 1.79 1.01 -1.26 -3.38 120.40 122.01 3i1z s VAL 94 Ca -0.02 0.62 -0.09 0.00 0.00 0.00 0.00 61.98 62.50 3i1z s VAL 94 Cb -0.17 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 32.93 3i1z s VAL 94 CO -0.07 -0.05 0.16 0.23 0.00 0.00 0.00 175.10 175.37 3i1z n MET 95 N -0.91 -0.78 -3.74 2.72 2.81 -1.14 -1.20 117.12 114.87 3i1z n MET 95 Ca 0.10 0.02 -0.31 0.00 -1.81 0.00 0.00 57.70 55.69 3i1z n MET 95 Cb 0.48 -2.37 -0.06 0.00 -0.71 0.00 0.00 33.22 30.56 3i1z n MET 95 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i1z n ALA 96 N -3.85 -0.92 0.00 3.04 0.00 -1.22 0.32 120.51 117.88 3i1z n ALA 96 Ca -0.20 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.08 3i1z n ALA 96 Cb 0.50 -1.80 0.00 0.00 0.00 0.00 0.00 19.45 18.15 3i1z n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1z n GLY 97 N -0.96 1.33 3.78 0.00 0.00 -0.34 -5.10 105.19 103.90 3i1z n GLY 97 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 3i1z n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i1z s LEU 98 N 0.00 3.85 0.59 0.99 1.43 0.15 -4.91 118.68 120.78 3i1z s LEU 98 Ca 0.00 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 3i1z s LEU 98 Cb 0.00 -2.43 0.00 0.00 0.03 0.00 0.00 46.19 43.79 3i1z s LEU 98 CO 0.00 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.40 3i1z n GLY 99 N 0.71 -3.10 3.27 -3.19 0.00 -1.26 -2.86 105.19 98.75 3i1z n GLY 99 Ca -0.10 -0.94 -0.15 0.00 0.00 0.00 0.00 46.02 44.82 3i1z n GLY 99 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i1z s ILE 100 N -4.36 0.00 -0.35 -0.61 -4.36 0.39 -4.24 121.20 107.67 3i1z s ILE 100 Ca 0.00 -1.95 -0.02 0.00 -0.26 0.00 0.00 60.65 58.42 3i1z s ILE 100 Cb 0.00 -2.50 0.08 0.00 1.25 0.00 0.00 42.46 41.29 3i1z s ILE 100 CO 0.00 0.00 0.10 0.00 0.24 0.00 0.00 174.94 175.28 3i1z s ALA 101 N -3.76 2.98 -0.64 2.27 0.00 -1.26 -0.77 121.76 120.59 3i1z s ALA 101 Ca 0.39 -2.17 -0.26 0.00 0.00 0.00 0.00 51.96 49.92 3i1z s ALA 101 Cb 0.04 -2.17 -0.08 0.00 0.00 0.00 0.00 23.12 20.91 3i1z s ALA 101 CO 0.20 -1.54 2.31 0.08 0.00 0.00 0.00 175.76 176.80 3i1z s VAL 102 N 1.18 3.08 0.00 0.00 1.01 -0.34 -1.78 120.40 123.56 3i1z s VAL 102 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.99 3i1z s VAL 102 Cb -0.21 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 32.96 3i1z s VAL 102 CO -0.03 -0.20 0.00 1.33 0.00 0.00 0.00 175.10 176.21 3i1z n VAL 103 N 8.16 0.00 -3.42 2.92 0.24 -0.95 -0.97 118.33 124.31 3i1z n VAL 103 Ca 0.38 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.70 3i1z n VAL 103 Cb 0.50 -1.03 -0.05 0.00 -1.47 0.00 0.00 33.84 31.79 3i1z n VAL 103 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3i1z s SER 104 N -1.00 -0.27 0.31 -1.34 0.15 -1.07 -4.29 113.70 106.19 3i1z s SER 104 Ca 0.00 0.40 0.03 0.00 0.70 0.00 0.00 55.95 57.08 3i1z s SER 104 Cb 0.00 1.25 -0.06 0.00 -1.71 0.00 0.00 66.02 65.50 3i1z s SER 104 CO 0.00 -0.06 0.07 0.42 1.20 0.00 0.00 173.24 174.87 3i1z s THR 105 N 1.83 1.05 0.36 6.45 -4.23 0.01 -1.52 115.64 119.59 3i1z s THR 105 Ca -0.04 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.62 3i1z s THR 105 Cb -0.03 -2.75 0.35 0.00 1.34 0.00 0.00 72.50 71.41 3i1z s THR 105 CO -0.15 0.00 1.72 0.77 -0.54 0.00 0.00 174.62 176.42 3i1z h SER 106 N 2.16 0.54 -3.33 3.99 4.64 -2.03 -2.98 113.55 116.54 3i1z h SER 106 Ca -0.40 0.13 -0.71 0.00 -0.47 0.00 0.00 61.79 60.34 3i1z h SER 106 Cb 1.25 0.06 -0.35 0.00 -0.31 0.00 0.00 62.40 63.04 3i1z h SER 106 CO 0.68 0.02 -0.07 -0.54 -0.87 0.00 0.00 176.83 176.05 3i1z s LYS 107 N -5.62 3.33 0.42 4.77 1.02 -1.26 -5.05 119.74 117.34 3i1z s LYS 107 Ca -0.10 -3.29 0.00 0.00 0.02 0.00 0.00 55.97 52.60 3i1z s LYS 107 Cb 0.28 -3.98 0.00 0.00 -0.52 0.00 0.00 37.83 33.60 3i1z s LYS 107 CO 0.80 -1.26 0.00 0.41 -0.92 0.00 0.00 175.35 174.37 3i1z n GLY 108 N 2.32 -1.84 2.70 -3.33 0.00 -1.13 -4.82 105.19 99.09 3i1z n GLY 108 Ca 0.22 -1.81 -0.28 0.00 0.00 0.00 0.00 46.02 44.15 3i1z n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1z s VAL 109 N 0.00 1.78 0.00 1.61 1.01 -1.26 -0.81 120.40 122.74 3i1z s VAL 109 Ca 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 61.98 58.53 3i1z s VAL 109 Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.19 3i1z s VAL 109 CO 0.00 -1.07 0.00 0.23 0.00 0.00 0.00 175.10 174.26 3i1z n MET 110 N 2.52 2.78 -4.38 2.72 2.00 -1.26 -4.81 117.12 116.68 3i1z n MET 110 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 57.70 57.67 3i1z n MET 110 Cb 0.39 0.00 -0.09 0.00 0.00 0.00 0.00 33.22 33.52 3i1z n MET 110 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 3i1z s THR 111 N 1.59 2.92 0.55 2.03 -4.23 -1.26 -2.25 115.64 115.00 3i1z s THR 111 Ca 0.00 -2.12 0.24 0.00 -1.18 0.00 0.00 61.69 58.63 3i1z s THR 111 Cb 0.00 -2.53 0.34 0.00 1.34 0.00 0.00 72.50 71.65 3i1z s THR 111 CO 0.00 -0.35 2.12 -2.24 -0.54 0.00 0.00 174.62 173.61 3i1z h ASP 112 N 2.24 0.00 0.83 3.99 2.03 -1.69 0.53 116.42 124.35 3i1z h ASP 112 Ca -0.43 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 55.69 3i1z h ASP 112 Cb 1.25 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.72 3i1z h ASP 112 CO 0.59 0.00 -0.85 -0.09 -1.03 0.00 0.00 179.24 177.86 3i1z h ARG 113 N 0.00 0.01 0.11 4.15 2.43 -1.91 -3.00 114.38 116.16 3i1z h ARG 113 Ca 0.08 -0.02 -0.19 0.00 -0.81 0.00 0.00 59.98 59.04 3i1z h ARG 113 Cb 0.37 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.93 3i1z h ARG 113 CO -0.00 0.85 -0.93 0.00 -1.51 0.00 0.00 179.97 178.39 3i1z h ALA 114 N 1.14 0.03 0.00 2.80 0.00 -1.12 -3.33 119.26 118.79 3i1z h ALA 114 Ca -0.01 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.07 3i1z h ALA 114 Cb 1.50 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.53 3i1z h ALA 114 CO 0.11 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.85 3i1z n ALA 115 N -2.80 1.57 0.10 0.00 0.00 0.16 -1.76 120.51 117.77 3i1z n ALA 115 Ca -0.18 -0.03 -0.23 0.00 0.00 0.00 0.00 53.44 53.01 3i1z n ALA 115 Cb 0.79 -1.22 -0.15 0.00 0.00 0.00 0.00 19.45 18.87 3i1z n ALA 115 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i1z h ARG 116 N 0.00 0.42 0.00 0.00 9.65 -1.63 -2.97 114.38 119.85 3i1z h ARG 116 Ca 0.00 -0.72 -0.03 0.00 -1.10 0.00 0.00 59.98 58.13 3i1z h ARG 116 Cb 0.23 0.27 -0.00 0.00 -1.39 0.00 0.00 29.97 29.07 3i1z h ARG 116 CO 0.00 1.34 -0.17 1.96 2.80 0.00 0.00 179.97 185.91 3i1z h GLN 117 N -0.08 0.00 0.00 0.20 4.20 -1.56 -3.10 115.11 114.77 3i1z h GLN 117 Ca -0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.48 3i1z h GLN 117 Cb 1.95 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.73 3i1z h GLN 117 CO 0.21 0.17 0.00 0.00 -0.67 0.00 0.00 178.83 178.53 3i1z h ALA 118 N 1.83 1.00 -1.26 3.87 0.00 -1.45 -3.47 119.26 119.78 3i1z h ALA 118 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 3i1z h ALA 118 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3i1z h ALA 118 CO 0.02 0.00 -0.19 0.41 0.00 0.00 0.00 179.25 179.49 3i1z n GLY 119 N 1.21 0.14 0.00 0.00 0.00 -1.17 -5.00 105.19 100.36 3i1z n GLY 119 Ca 0.05 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.51 3i1z n GLY 119 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3i1z n LEU 120 N -1.17 0.00 0.00 0.99 -0.00 -1.13 -5.01 117.00 110.68 3i1z n LEU 120 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.94 3i1z n LEU 120 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 3i1z n LEU 120 CO 0.12 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.12 3i1z n GLY 121 N 0.18 1.13 0.00 1.47 0.00 -1.07 -4.03 105.19 102.88 3i1z n GLY 121 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.91 3i1z n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1z n GLY 122 N -0.85 1.27 3.51 -0.02 0.00 -0.85 -4.68 105.19 103.56 3i1z n GLY 122 Ca 0.00 0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.91 3i1z n GLY 122 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i1z s GLU 123 N 3.46 3.26 -0.61 1.61 2.12 -0.58 0.66 118.70 128.63 3i1z s GLU 123 Ca 0.00 -0.44 -0.27 0.00 0.36 0.00 0.00 54.97 54.63 3i1z s GLU 123 Cb 0.00 -3.99 -0.02 0.00 0.26 0.00 0.00 34.13 30.38 3i1z s GLU 123 CO 0.00 -1.11 1.83 0.96 -0.54 0.00 0.00 175.26 176.40 3i1z s ILE 124 N 2.94 3.37 0.02 -3.70 -4.36 -1.22 -2.60 121.20 115.66 3i1z s ILE 124 Ca 0.23 0.22 -0.23 0.00 -0.26 0.00 0.00 60.65 60.60 3i1z s ILE 124 Cb -0.15 -3.98 -0.17 0.00 1.25 0.00 0.00 42.46 39.42 3i1z s ILE 124 CO 0.18 -0.94 1.39 0.40 0.24 0.00 0.00 174.94 176.21 3i1z h ILE 125 N 6.85 1.30 -2.50 8.37 5.03 -1.28 0.22 117.51 135.50 3i1z h ILE 125 Ca -0.26 -0.96 0.06 0.00 -0.12 0.00 0.00 64.86 63.57 3i1z h ILE 125 Cb 1.16 1.82 -0.14 0.00 -3.03 0.00 0.00 36.82 36.62 3i1z h ILE 125 CO 1.22 0.27 0.39 0.00 -0.68 0.00 0.00 178.15 179.34 3i1z s TYR 127 N -3.23 3.21 -0.08 0.00 2.02 -0.38 -1.20 117.35 117.69 3i1z s TYR 127 Ca 0.03 0.19 -0.10 0.00 -0.37 0.00 0.00 57.07 56.82 3i1z s TYR 127 Cb -0.01 -1.74 0.02 0.00 -0.40 0.00 0.00 41.96 39.83 3i1z s TYR 127 CO -0.10 0.51 0.26 0.08 -1.57 0.00 0.00 175.55 174.73 3i1z s VAL 128 N -1.06 0.02 0.00 0.71 1.01 0.05 -1.45 120.40 119.68 3i1z s VAL 128 Ca 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.03 3i1z s VAL 128 Cb -0.12 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.85 3i1z s VAL 128 CO 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 175.10 175.11