#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1o n MET 2 N 0.00 0.36 0.05 1.43 -0.00 -1.26 -2.19 117.12 115.51 3i1o n MET 2 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.70 57.73 3i1o n MET 2 Cb 0.00 -1.22 0.42 0.00 -0.00 0.00 0.00 33.22 32.42 3i1o n MET 2 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 175.97 177.93 3i1o h GLN 3 N 0.84 0.42 -3.14 3.17 4.20 -2.07 -3.34 115.11 115.20 3i1o h GLN 3 Ca 0.00 -0.05 -0.62 0.00 0.06 0.00 0.00 58.65 58.04 3i1o h GLN 3 Cb 0.23 -0.08 -0.41 0.00 0.30 0.00 0.00 27.48 27.53 3i1o h GLN 3 CO 0.00 0.36 -0.68 0.34 -0.67 0.00 0.00 178.83 178.18 3i1o s ASP 4 N -6.78 4.01 0.24 1.46 -1.08 -0.93 -4.95 116.67 108.65 3i1o s ASP 4 Ca -0.07 -3.01 0.11 0.00 -0.52 0.00 0.00 52.55 49.06 3i1o s ASP 4 Cb 0.17 -1.35 0.22 0.00 -1.46 0.00 0.00 42.92 40.49 3i1o s ASP 4 CO 0.73 -0.22 1.52 -0.65 0.52 0.00 0.00 175.17 177.08 3i1o h PRO 5 N 6.37 0.00 -0.01 4.34 0.11 -1.84 -3.15 132.00 137.83 3i1o h PRO 5 Ca -0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 3i1o h PRO 5 Cb 0.88 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 3i1o h PRO 5 CO 0.60 0.69 0.00 0.82 -0.21 0.00 0.00 178.00 179.90 3i1o h ILE 6 N 0.00 1.05 -0.83 4.15 1.08 -1.94 0.34 117.51 121.35 3i1o h ILE 6 Ca -0.01 -0.15 0.18 0.00 -0.39 0.00 0.00 64.86 64.49 3i1o h ILE 6 Cb 1.28 1.15 -0.06 0.00 -3.07 0.00 0.00 36.82 36.11 3i1o h ILE 6 CO 0.09 0.04 0.56 0.00 -0.69 0.00 0.00 178.15 178.15 3i1o h ALA 7 N 0.94 2.19 0.77 1.87 0.00 -1.98 -2.09 119.26 120.96 3i1o h ALA 7 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3i1o h ALA 7 Cb 0.06 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.82 3i1o h ALA 7 CO -0.00 -0.44 -0.37 0.22 0.00 0.00 0.00 179.25 178.66 3i1o h ASP 8 N 0.39 -0.87 -0.52 0.00 3.58 -0.97 -2.34 116.42 115.69 3i1o h ASP 8 Ca 0.42 0.02 0.10 0.00 0.42 0.00 0.00 57.03 57.99 3i1o h ASP 8 Cb 1.05 0.23 -0.11 0.00 1.72 0.00 0.00 39.33 42.22 3i1o h ASP 8 CO -0.14 -0.52 -0.30 -0.03 -2.88 0.00 0.00 179.24 175.36 3i1o h MET 9 N -1.23 -0.17 0.00 0.28 4.05 -0.41 0.66 114.93 118.11 3i1o h MET 9 Ca -0.11 0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.33 3i1o h MET 9 Cb 0.80 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.64 3i1o h MET 9 CO 0.17 -0.11 -0.00 -0.07 0.23 0.00 0.00 176.91 177.13 3i1o h LEU 10 N -0.17 0.00 0.03 3.39 3.38 -1.52 0.24 115.31 120.65 3i1o h LEU 10 Ca 0.22 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.91 3i1o h LEU 10 Cb 0.53 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 3i1o h LEU 10 CO -0.62 0.00 -1.55 0.71 0.09 0.00 0.00 178.44 177.08 3i1o h THR 11 N 0.00 1.07 -0.28 0.22 1.35 0.62 0.43 112.91 116.32 3i1o h THR 11 Ca -0.00 -2.85 -0.04 0.00 -0.55 0.00 0.00 66.41 62.98 3i1o h THR 11 Cb 0.01 2.57 -0.01 0.00 -1.73 0.00 0.00 68.15 69.00 3i1o h THR 11 CO 0.00 0.68 0.03 0.03 -0.25 0.00 0.00 175.52 176.01 3i1o h ARG 12 N 0.02 0.47 0.03 4.72 3.08 0.12 0.44 114.38 123.26 3i1o h ARG 12 Ca -0.23 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 59.69 3i1o h ARG 12 Cb 1.96 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.96 3i1o h ARG 12 CO 0.10 0.60 -0.02 0.82 -1.07 0.00 0.00 179.97 180.41 3i1o h ILE 13 N 0.28 1.02 -0.58 2.04 2.04 -0.66 0.22 117.51 121.87 3i1o h ILE 13 Ca 0.08 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.83 3i1o h ILE 13 Cb 0.36 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 3i1o h ILE 13 CO 0.01 0.04 0.30 -0.09 0.00 0.00 0.00 178.15 178.41 3i1o h ARG 14 N -0.12 0.55 0.00 2.37 2.43 -0.74 -1.09 114.38 117.79 3i1o h ARG 14 Ca -0.00 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 3i1o h ARG 14 Cb 0.10 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3i1o h ARG 14 CO 0.01 0.36 -0.09 -0.91 -1.51 0.00 0.00 179.97 177.83 3i1o h ASN 15 N 0.56 0.08 -0.76 -3.80 2.35 -0.85 -2.75 115.58 110.42 3i1o h ASN 15 Ca 0.26 -0.83 0.18 0.00 -0.55 0.00 0.00 56.30 55.36 3i1o h ASN 15 Cb 0.18 -0.02 -0.13 0.00 0.05 0.00 0.00 38.32 38.40 3i1o h ASN 15 CO -0.18 0.89 0.08 1.23 -1.65 0.00 0.00 177.43 177.80 3i1o h GLY 16 N -0.73 0.95 0.97 2.83 0.00 -0.45 0.43 103.07 107.07 3i1o h GLY 16 Ca -0.01 0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.38 3i1o h GLY 16 CO 0.02 -0.27 0.34 1.46 0.00 0.00 0.00 176.54 178.09 3i1o h GLN 17 N 0.16 0.67 0.00 4.80 1.08 -1.24 -2.51 115.11 118.08 3i1o h GLN 17 Ca 0.43 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.55 3i1o h GLN 17 Cb 0.77 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 28.04 3i1o h GLN 17 CO -0.62 0.45 -0.19 0.00 -0.95 0.00 0.00 178.83 177.52 3i1o h ALA 18 N 1.21 1.09 -0.63 3.87 0.00 -0.65 -1.96 119.26 122.19 3i1o h ALA 18 Ca 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3i1o h ALA 18 Cb -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3i1o h ALA 18 CO -0.06 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.42 3i1o n ALA 19 N -2.23 3.30 -2.11 0.00 0.00 -0.50 -4.93 120.51 114.04 3i1o n ALA 19 Ca -0.00 -1.65 -0.12 0.00 0.00 0.00 0.00 53.44 51.66 3i1o n ALA 19 Cb 0.37 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.74 3i1o n ALA 19 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i1o n ASN 20 N 1.01 -3.68 -4.67 0.00 5.15 -0.74 -4.89 115.26 107.44 3i1o n ASN 20 Ca 0.26 0.23 -0.43 0.00 -0.60 0.00 0.00 54.58 54.04 3i1o n ASN 20 Cb 0.97 -3.22 -0.02 0.00 -0.53 0.00 0.00 39.78 36.97 3i1o n ASN 20 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3i1o s LYS 21 N -4.41 4.28 0.24 1.20 -0.14 -0.97 -4.92 119.74 115.01 3i1o s LYS 21 Ca 0.00 1.53 -0.07 0.00 -1.36 0.00 0.00 55.97 56.08 3i1o s LYS 21 Cb 0.00 -3.67 0.39 0.00 -1.68 0.00 0.00 37.83 32.88 3i1o s LYS 21 CO 0.00 -0.60 1.32 0.00 -0.76 0.00 0.00 175.35 175.31 3i1o n ALA 22 N 6.14 0.21 -3.00 5.17 0.00 -1.26 -4.72 120.51 123.05 3i1o n ALA 22 Ca 0.12 0.93 0.00 0.00 0.00 0.00 0.00 53.44 54.49 3i1o n ALA 22 Cb 0.46 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.35 3i1o n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1o n ALA 23 N -3.68 0.00 -3.62 0.00 0.00 -1.26 -2.48 120.51 109.47 3i1o n ALA 23 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3i1o n ALA 23 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.87 3i1o n ALA 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1o s VAL 24 N -0.74 0.00 0.06 0.00 0.11 -1.03 -4.84 120.40 113.96 3i1o s VAL 24 Ca 0.00 -0.22 -0.05 0.00 -2.93 0.00 0.00 61.98 58.78 3i1o s VAL 24 Cb 0.00 -1.87 -0.02 0.00 -1.53 0.00 0.00 36.38 32.97 3i1o s VAL 24 CO 0.00 0.00 0.09 0.28 -3.33 0.00 0.00 175.10 172.14 3i1o s THR 25 N -2.48 0.16 0.26 5.04 -1.32 -1.26 -2.32 115.64 113.72 3i1o s THR 25 Ca 0.13 -1.32 -0.16 0.00 -1.21 0.00 0.00 61.69 59.13 3i1o s THR 25 Cb 0.04 -1.21 0.01 0.00 -1.51 0.00 0.00 72.50 69.82 3i1o s THR 25 CO -0.04 -0.73 0.58 0.00 -2.21 0.00 0.00 174.62 172.23 3i1o s MET 26 N -3.37 1.64 0.38 7.08 0.23 -0.12 -4.99 119.30 120.14 3i1o s MET 26 Ca 0.02 -1.12 -0.25 0.00 -1.03 0.00 0.00 55.69 53.30 3i1o s MET 26 Cb 0.03 0.53 -0.09 0.00 -1.53 0.00 0.00 34.83 33.78 3i1o s MET 26 CO -0.08 -0.71 1.09 -1.25 -2.03 0.00 0.00 175.02 172.03 3i1o s PRO 27 N -3.97 4.21 0.95 3.16 0.04 -1.26 0.46 135.00 138.58 3i1o s PRO 27 Ca 0.17 1.64 -0.12 0.00 0.04 0.00 0.00 61.00 62.73 3i1o s PRO 27 Cb -0.03 -2.68 0.16 0.00 0.04 0.00 0.00 34.50 31.99 3i1o s PRO 27 CO 0.08 -0.13 1.09 0.45 0.04 0.00 0.00 177.00 178.52 3i1o s SER 28 N -1.35 3.02 0.00 6.66 0.15 0.31 -4.69 113.70 117.81 3i1o s SER 28 Ca 0.56 1.35 0.00 0.00 0.70 0.00 0.00 55.95 58.55 3i1o s SER 28 Cb -0.26 -2.02 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 3i1o s SER 28 CO 0.32 -2.90 0.00 -1.54 1.20 0.00 0.00 173.24 170.32 3i1o n SER 29 N -4.04 0.00 0.00 5.45 3.41 -1.26 -4.97 113.62 112.21 3i1o n SER 29 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 3i1o n SER 29 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 3i1o n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3i1o n LYS 30 N 0.00 0.00 -0.39 4.33 4.76 -1.26 -1.74 118.16 123.86 3i1o n LYS 30 Ca 0.00 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.33 3i1o n LYS 30 Cb 0.00 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.09 3i1o n LYS 30 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3i1o h LEU 31 N 0.00 -2.08 -0.84 -0.35 5.85 -1.98 0.92 115.31 116.83 3i1o h LEU 31 Ca 0.00 0.31 0.10 0.00 0.84 0.00 0.00 57.88 59.13 3i1o h LEU 31 Cb 0.00 0.92 -0.12 0.00 0.37 0.00 0.00 40.66 41.83 3i1o h LEU 31 CO 0.00 -0.24 -0.52 0.50 -0.34 0.00 0.00 178.44 177.85 3i1o h LYS 32 N -0.03 -0.09 -0.17 1.25 3.64 -1.75 -2.43 116.57 116.99 3i1o h LYS 32 Ca 0.15 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.56 3i1o h LYS 32 Cb 0.41 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.21 3i1o h LYS 32 CO -0.89 -0.06 -0.35 0.28 -2.27 0.00 0.00 179.45 176.16 3i1o h VAL 33 N -0.10 0.00 0.00 2.00 2.07 0.48 -0.53 116.25 120.17 3i1o h VAL 33 Ca 0.19 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.71 3i1o h VAL 33 Cb 0.50 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 3i1o h VAL 33 CO -0.86 0.00 0.00 0.00 0.02 0.00 0.00 177.57 176.73 3i1o n ALA 34 N -2.89 1.49 -0.03 1.67 0.00 0.11 -1.02 120.51 119.85 3i1o n ALA 34 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.36 3i1o n ALA 34 Cb 0.23 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 3i1o n ALA 34 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3i1o n ILE 35 N 0.65 0.29 0.08 0.00 5.41 -0.22 -4.23 119.36 121.34 3i1o n ILE 35 Ca 0.00 -0.09 0.18 0.00 1.00 0.00 0.00 62.75 63.84 3i1o n ILE 35 Cb 0.07 -1.18 0.72 0.00 -0.71 0.00 0.00 39.64 38.54 3i1o n ILE 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i1o h ALA 36 N -0.11 2.27 -0.09 -1.39 0.00 -0.99 0.37 119.26 119.33 3i1o h ALA 36 Ca -0.13 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 3i1o h ALA 36 Cb 1.14 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3i1o h ALA 36 CO -0.05 -0.50 -0.71 -0.97 0.00 0.00 0.00 179.25 177.02 3i1o h ASN 37 N 0.00 0.48 1.09 0.00 -0.00 -1.74 -1.00 115.58 114.42 3i1o h ASN 37 Ca 0.18 -0.31 -0.06 0.00 -0.00 0.00 0.00 56.30 56.12 3i1o h ASN 37 Cb 0.79 -0.14 -0.01 0.00 -0.00 0.00 0.00 38.32 38.96 3i1o h ASN 37 CO -0.00 1.04 -0.26 0.58 -0.00 0.00 0.00 177.43 178.78 3i1o h VAL 38 N 0.28 0.58 0.00 2.57 2.07 -0.61 -2.62 116.25 118.52 3i1o h VAL 38 Ca -0.03 -1.32 -0.09 0.00 0.82 0.00 0.00 66.70 66.08 3i1o h VAL 38 Cb 1.28 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.93 3i1o h VAL 38 CO 0.12 0.26 -0.72 -0.07 0.02 0.00 0.00 177.57 177.18 3i1o h LEU 39 N 0.00 0.00 -0.32 2.57 3.38 -0.46 -2.46 115.31 118.02 3i1o h LEU 39 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i1o h LEU 39 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3i1o h LEU 39 CO 0.03 0.39 0.00 1.17 0.09 0.00 0.00 178.44 180.12 3i1o n LYS 40 N -3.05 0.20 0.01 1.13 0.00 -0.40 0.07 118.16 116.12 3i1o n LYS 40 Ca -0.01 0.30 -0.00 0.00 0.00 0.00 0.00 58.31 58.60 3i1o n LYS 40 Cb 0.71 -1.80 -0.00 0.00 0.00 0.00 0.00 35.03 33.94 3i1o n LYS 40 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 3i1o h GLU 41 N 0.00 -0.02 0.00 1.64 4.39 -1.07 -3.11 114.58 116.40 3i1o h GLU 41 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3i1o h GLU 41 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 3i1o h GLU 41 CO 0.00 -0.01 0.00 -1.91 -1.16 0.00 0.00 179.01 175.93 3i1o n GLU 42 N -2.12 0.69 -2.34 2.33 2.13 -1.22 -4.94 120.64 115.17 3i1o n GLU 42 Ca -0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.78 3i1o n GLU 42 Cb 0.01 -1.49 -0.03 0.00 0.27 0.00 0.00 31.44 30.21 3i1o n GLU 42 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i1o n GLY 43 N 0.38 -5.15 0.00 8.31 0.00 -0.88 -4.98 105.19 102.87 3i1o n GLY 43 Ca 0.16 0.99 0.00 0.00 0.00 0.00 0.00 46.02 47.17 3i1o n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i1o n PHE 44 N 1.51 0.00 -3.73 1.61 3.72 0.11 -4.97 117.46 115.70 3i1o n PHE 44 Ca -0.24 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.01 3i1o n PHE 44 Cb 0.37 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.76 3i1o n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 3i1o s ILE 45 N -0.31 -0.09 0.26 4.37 -4.36 -1.23 -4.12 121.20 115.71 3i1o s ILE 45 Ca 0.00 0.23 -0.06 0.00 -0.26 0.00 0.00 60.65 60.56 3i1o s ILE 45 Cb 0.00 -0.23 0.30 0.00 1.25 0.00 0.00 42.46 43.79 3i1o s ILE 45 CO 0.00 0.09 1.62 -0.08 0.24 0.00 0.00 174.94 176.82 3i1o h GLU 46 N 7.49 0.09 0.00 0.37 4.57 -1.56 -3.41 114.58 122.13 3i1o h GLU 46 Ca -0.37 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 57.88 3i1o h GLU 46 Cb 1.13 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.69 3i1o h GLU 46 CO 0.37 0.06 0.21 -0.40 -1.18 0.00 0.00 179.01 178.07 3i1o n ASP 47 N -5.37 -0.31 -3.76 1.04 3.85 -1.25 -5.01 116.55 105.74 3i1o n ASP 47 Ca 0.15 -1.08 -0.13 0.00 -0.71 0.00 0.00 54.79 53.02 3i1o n ASP 47 Cb 0.51 0.48 -0.10 0.00 -1.35 0.00 0.00 41.12 40.66 3i1o n ASP 47 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.20 176.91 3i1o s PHE 48 N -3.11 -0.28 -0.21 2.11 -0.71 -1.26 -1.91 117.98 112.59 3i1o s PHE 48 Ca 0.07 0.61 -0.05 0.00 -1.04 0.00 0.00 56.93 56.53 3i1o s PHE 48 Cb -0.00 0.11 0.08 0.00 -1.21 0.00 0.00 43.02 42.00 3i1o s PHE 48 CO 0.00 -0.28 0.11 0.21 -1.34 0.00 0.00 175.22 173.92 3i1o s LYS 49 N -0.52 0.11 -0.49 1.99 2.47 0.08 -4.99 119.74 118.39 3i1o s LYS 49 Ca -0.06 -0.22 -0.23 0.00 -1.56 0.00 0.00 55.97 53.90 3i1o s LYS 49 Cb -0.04 -1.55 0.03 0.00 -1.46 0.00 0.00 37.83 34.81 3i1o s LYS 49 CO 0.02 -0.79 0.80 0.54 0.16 0.00 0.00 175.35 176.08 3i1o s VAL 50 N 2.14 4.62 -0.16 4.02 0.11 -1.26 -2.13 120.40 127.73 3i1o s VAL 50 Ca 0.05 0.24 -0.03 0.00 -2.93 0.00 0.00 61.98 59.31 3i1o s VAL 50 Cb -0.16 -4.37 -0.02 0.00 -1.53 0.00 0.00 36.38 30.30 3i1o s VAL 50 CO -0.19 -0.83 -0.06 -1.61 -3.33 0.00 0.00 175.10 169.08 3i1o s GLU 51 N 3.36 3.54 0.00 1.54 2.02 -1.26 -4.93 118.70 122.96 3i1o s GLU 51 Ca 0.28 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 54.68 3i1o s GLU 51 Cb -0.13 -2.87 0.00 0.00 0.10 0.00 0.00 34.13 31.22 3i1o s GLU 51 CO 0.20 0.13 0.00 0.41 0.02 0.00 0.00 175.26 176.02 3i1o n GLY 52 N 3.83 1.08 1.32 -1.39 0.00 -1.26 -0.99 105.19 107.78 3i1o n GLY 52 Ca -0.18 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.38 3i1o n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i1o n ASP 53 N 0.00 0.70 0.00 1.61 4.64 -1.26 -4.80 116.55 117.44 3i1o n ASP 53 Ca 0.00 0.23 0.00 0.00 -1.38 0.00 0.00 54.79 53.64 3i1o n ASP 53 Cb 0.00 -0.11 0.00 0.00 -1.04 0.00 0.00 41.12 39.97 3i1o n ASP 53 CO 0.00 0.00 0.00 1.07 -0.82 0.00 0.00 177.20 177.45 3i1o n THR 54 N -3.46 0.00 -3.29 5.18 5.66 -1.26 -4.68 114.28 112.42 3i1o n THR 54 Ca 0.00 0.41 -0.46 0.00 -3.05 0.00 0.00 64.05 60.95 3i1o n THR 54 Cb 0.02 -1.33 -0.01 0.00 -1.55 0.00 0.00 70.33 67.46 3i1o n THR 54 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3i1o s LYS 55 N -0.81 3.94 0.01 1.09 3.01 -1.26 -5.03 119.74 120.68 3i1o s LYS 55 Ca 0.00 -2.82 -0.37 0.00 -1.01 0.00 0.00 55.97 51.77 3i1o s LYS 55 Cb 0.00 -4.56 -0.16 0.00 -1.01 0.00 0.00 37.83 32.11 3i1o s LYS 55 CO 0.00 -1.32 1.50 -2.30 0.51 0.00 0.00 175.35 173.74 3i1o n PRO 56 N 3.56 1.37 0.00 -1.68 -0.02 -1.26 -4.85 135.00 132.12 3i1o n PRO 56 Ca 0.21 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3i1o n PRO 56 Cb 0.43 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 3i1o n PRO 56 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3i1o n GLU 57 N 3.55 1.36 0.00 -0.52 4.07 -0.16 -0.53 120.64 128.41 3i1o n GLU 57 Ca 0.20 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.30 3i1o n GLU 57 Cb 0.20 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.58 3i1o n GLU 57 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 3i1o n LEU 58 N 0.00 0.00 -4.61 4.31 0.00 0.17 -2.21 117.00 114.67 3i1o n LEU 58 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 56.01 55.68 3i1o n LEU 58 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 43.32 3i1o n LEU 58 CO 0.00 0.00 -0.36 -0.70 0.00 0.00 0.00 177.39 176.33 3i1o s GLU 59 N 0.00 2.74 -0.04 1.96 -6.30 -0.91 -0.94 118.70 115.21 3i1o s GLU 59 Ca 0.00 -0.58 0.02 0.00 -2.50 0.00 0.00 54.97 51.91 3i1o s GLU 59 Cb 0.00 -2.61 0.01 0.00 0.00 0.00 0.00 34.13 31.53 3i1o s GLU 59 CO 0.00 0.65 -0.07 -0.51 0.02 0.00 0.00 175.26 175.35 3i1o s LEU 60 N -1.06 1.61 -0.30 2.70 1.02 -0.98 -0.74 118.68 120.93 3i1o s LEU 60 Ca 0.15 -0.17 -0.17 0.00 0.02 0.00 0.00 54.13 53.96 3i1o s LEU 60 Cb -0.11 -0.52 -0.02 0.00 0.02 0.00 0.00 46.19 45.56 3i1o s LEU 60 CO 0.04 0.02 0.47 -0.89 0.02 0.00 0.00 176.35 176.01 3i1o s THR 61 N 0.49 5.08 0.56 5.49 2.01 -0.81 -2.45 115.64 126.02 3i1o s THR 61 Ca -0.07 0.58 -0.18 0.00 0.31 0.00 0.00 61.69 62.32 3i1o s THR 61 Cb -0.11 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 3i1o s THR 61 CO 0.01 -0.01 1.09 -0.76 -0.69 0.00 0.00 174.62 174.26 3i1o s LEU 62 N 2.27 3.66 -0.14 4.42 2.01 -1.04 -1.60 118.68 128.26 3i1o s LEU 62 Ca 0.18 2.03 -0.05 0.00 0.01 0.00 0.00 54.13 56.30 3i1o s LEU 62 Cb -0.16 -4.56 -0.04 0.00 0.01 0.00 0.00 46.19 41.45 3i1o s LEU 62 CO 0.11 -1.20 0.03 -0.54 1.01 0.00 0.00 176.35 175.76 3i1o s LYS 63 N -3.56 3.52 -0.10 1.70 1.02 -1.26 -4.62 119.74 116.44 3i1o s LYS 63 Ca 0.69 -0.37 0.02 0.00 0.02 0.00 0.00 55.97 56.33 3i1o s LYS 63 Cb -0.20 -3.01 0.01 0.00 -0.52 0.00 0.00 37.83 34.11 3i1o s LYS 63 CO 0.30 0.47 -0.17 0.71 -0.92 0.00 0.00 175.35 175.74 3i1o s TYR 64 N -0.21 2.03 0.00 3.18 1.51 -1.26 -3.01 117.35 119.59 3i1o s TYR 64 Ca 0.07 -0.91 0.00 0.00 -1.01 0.00 0.00 57.07 55.21 3i1o s TYR 64 Cb -0.12 -1.44 0.00 0.00 -0.11 0.00 0.00 41.96 40.29 3i1o s TYR 64 CO 0.02 -0.45 0.00 0.34 -1.11 0.00 0.00 175.55 174.35 3i1o n PHE 65 N 4.03 0.00 -0.26 2.71 7.35 0.53 -4.80 117.46 127.02 3i1o n PHE 65 Ca -0.20 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.45 3i1o n PHE 65 Cb 0.52 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.31 3i1o n PHE 65 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 3i1o n GLN 66 N 0.00 0.57 -3.26 -4.13 1.13 -1.26 -3.90 117.38 106.54 3i1o n GLN 66 Ca 0.00 -0.38 -0.17 0.00 -1.94 0.00 0.00 57.00 54.51 3i1o n GLN 66 Cb 0.00 -1.74 0.06 0.00 0.11 0.00 0.00 30.24 28.67 3i1o n GLN 66 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i1o n GLY 67 N 3.09 -0.09 3.50 1.08 0.00 -1.26 -5.02 105.19 106.48 3i1o n GLY 67 Ca 0.12 -0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 3i1o n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i1o s LYS 68 N -5.91 0.96 -0.12 1.61 2.47 -1.25 -5.11 119.74 112.39 3i1o s LYS 68 Ca 0.41 0.33 -0.29 0.00 -1.56 0.00 0.00 55.97 54.86 3i1o s LYS 68 Cb -0.18 0.46 -0.06 0.00 -1.46 0.00 0.00 37.83 36.58 3i1o s LYS 68 CO 0.51 -0.27 2.06 0.00 0.16 0.00 0.00 175.35 177.80 3i1o s ALA 69 N -0.92 3.11 0.59 3.13 0.00 -1.26 -0.35 121.76 126.06 3i1o s ALA 69 Ca -0.09 0.95 0.29 0.00 0.00 0.00 0.00 51.96 53.10 3i1o s ALA 69 Cb -0.01 -3.97 1.51 0.00 0.00 0.00 0.00 23.12 20.65 3i1o s ALA 69 CO 0.08 -2.25 1.94 -0.24 0.00 0.00 0.00 175.76 175.28 3i1o h VAL 70 N 6.47 0.39 -1.56 0.00 3.04 -1.88 -3.35 116.25 119.35 3i1o h VAL 70 Ca -0.43 0.00 -0.63 0.00 -1.01 0.00 0.00 66.70 64.63 3i1o h VAL 70 Cb 1.23 0.66 -0.12 0.00 -2.01 0.00 0.00 31.29 31.04 3i1o h VAL 70 CO 0.96 0.00 1.27 -0.69 -1.01 0.00 0.00 177.57 178.10 3i1o s VAL 71 N -4.63 4.18 0.02 1.51 1.01 -1.26 -4.88 120.40 116.35 3i1o s VAL 71 Ca -0.04 -1.00 -0.09 0.00 0.00 0.00 0.00 61.98 60.85 3i1o s VAL 71 Cb 0.16 -4.96 -0.05 0.00 0.00 0.00 0.00 36.38 31.52 3i1o s VAL 71 CO 0.55 -1.79 1.14 -0.33 0.00 0.00 0.00 175.10 174.67 3i1o h GLU 72 N 9.49 -0.29 -6.21 2.72 4.39 -1.72 -3.44 114.58 119.52 3i1o h GLU 72 Ca 0.17 0.02 -0.55 0.00 0.34 0.00 0.00 59.36 59.34 3i1o h GLU 72 Cb 1.02 0.07 -0.09 0.00 -0.10 0.00 0.00 28.75 29.64 3i1o h GLU 72 CO 1.32 -0.19 -0.63 -1.12 -1.16 0.00 0.00 179.01 177.22 3i1o s SER 73 N -2.64 4.65 -0.25 1.42 0.01 -1.26 -5.00 113.70 110.62 3i1o s SER 73 Ca -0.05 -0.60 -0.07 0.00 1.31 0.00 0.00 55.95 56.55 3i1o s SER 73 Cb 0.01 -0.91 0.12 0.00 0.21 0.00 0.00 66.02 65.45 3i1o s SER 73 CO 0.15 -0.00 0.53 -0.51 0.41 0.00 0.00 173.24 173.82 3i1o s ILE 74 N -2.29 -0.82 0.49 1.44 2.07 -1.26 -1.28 121.20 119.55 3i1o s ILE 74 Ca 0.31 0.06 0.05 0.00 -1.41 0.00 0.00 60.65 59.66 3i1o s ILE 74 Cb -0.07 -0.85 -0.00 0.00 0.13 0.00 0.00 42.46 41.67 3i1o s ILE 74 CO 0.20 0.01 0.24 -1.10 -1.91 0.00 0.00 174.94 172.39 3i1o s GLN 75 N 2.75 2.24 0.36 3.50 -1.52 -1.01 -4.94 119.66 121.03 3i1o s GLN 75 Ca 0.01 -2.03 0.09 0.00 -1.95 0.00 0.00 55.36 51.48 3i1o s GLN 75 Cb -0.13 -1.94 -0.06 0.00 -0.22 0.00 0.00 33.01 30.66 3i1o s GLN 75 CO -0.17 -0.38 -0.03 0.50 -0.25 0.00 0.00 175.29 174.96 3i1o s ARG 76 N -4.06 1.93 0.35 2.91 3.00 -1.26 -3.64 118.95 118.18 3i1o s ARG 76 Ca 0.30 -1.92 0.00 0.00 -1.00 0.00 0.00 55.73 53.12 3i1o s ARG 76 Cb 0.01 -1.76 0.00 0.00 0.00 0.00 0.00 34.95 33.19 3i1o s ARG 76 CO 0.18 0.09 0.00 0.28 0.00 0.00 0.00 175.30 175.85 3i1o n VAL 77 N -0.89 0.00 -1.81 7.11 0.31 0.25 -4.73 118.33 118.57 3i1o n VAL 77 Ca -0.05 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.89 3i1o n VAL 77 Cb 0.64 -0.36 -0.01 0.00 -0.91 0.00 0.00 33.84 33.20 3i1o n VAL 77 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3i1o n SER 78 N -3.48 8.18 -4.69 4.52 2.88 -1.22 -4.72 113.62 115.09 3i1o n SER 78 Ca 0.00 -2.99 -0.33 0.00 -1.33 0.00 0.00 58.87 54.22 3i1o n SER 78 Cb 0.00 -1.42 0.13 0.00 -0.75 0.00 0.00 64.21 62.17 3i1o n SER 78 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 3i1o n ARG 79 N 2.28 0.14 -0.29 -1.46 1.85 -1.07 -4.70 116.66 113.40 3i1o n ARG 79 Ca 0.66 0.13 0.01 0.00 -1.00 0.00 0.00 57.85 57.65 3i1o n ARG 79 Cb 0.24 -2.43 0.14 0.00 -1.05 0.00 0.00 32.46 29.37 3i1o n ARG 79 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 177.63 176.27 3i1o h PRO 80 N -0.97 0.82 0.00 2.89 0.11 -1.94 -1.44 132.00 131.48 3i1o h PRO 80 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3i1o h PRO 80 Cb 1.30 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3i1o h PRO 80 CO 0.45 0.54 0.00 0.41 -0.21 0.00 0.00 178.00 179.20 3i1o n GLY 81 N -1.32 -1.02 3.16 -0.55 0.00 -1.26 -4.32 105.19 99.89 3i1o n GLY 81 Ca 0.12 0.05 0.03 0.00 0.00 0.00 0.00 46.02 46.22 3i1o n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i1o s LEU 82 N -3.81 -1.49 0.08 0.99 0.20 -0.58 -5.15 118.68 108.93 3i1o s LEU 82 Ca 0.03 -0.16 -0.23 0.00 0.69 0.00 0.00 54.13 54.46 3i1o s LEU 82 Cb 0.08 1.92 -0.07 0.00 -0.43 0.00 0.00 46.19 47.69 3i1o s LEU 82 CO 0.27 -0.23 0.69 -0.13 -0.29 0.00 0.00 176.35 176.66 3i1o s ARG 83 N 2.47 4.42 -0.17 1.98 1.81 -1.00 -2.61 118.95 125.85 3i1o s ARG 83 Ca 0.13 0.96 -0.02 0.00 -1.72 0.00 0.00 55.73 55.09 3i1o s ARG 83 Cb -0.07 -3.30 -0.01 0.00 -0.45 0.00 0.00 34.95 31.12 3i1o s ARG 83 CO -0.19 0.48 -0.09 0.42 -0.68 0.00 0.00 175.30 175.24 3i1o s ILE 84 N -0.68 3.20 -0.04 1.52 -1.09 -1.26 -5.00 121.20 117.84 3i1o s ILE 84 Ca 0.34 -0.58 0.07 0.00 -2.23 0.00 0.00 60.65 58.25 3i1o s ILE 84 Cb -0.21 -2.40 -0.01 0.00 -1.58 0.00 0.00 42.46 38.26 3i1o s ILE 84 CO 0.22 0.48 -0.25 -0.31 -1.23 0.00 0.00 174.94 173.85 3i1o s TYR 85 N 0.86 2.39 -0.01 3.97 1.51 -1.26 -1.80 117.35 123.01 3i1o s TYR 85 Ca -0.02 -0.61 0.01 0.00 -1.01 0.00 0.00 57.07 55.43 3i1o s TYR 85 Cb -0.15 -1.56 0.00 0.00 -0.11 0.00 0.00 41.96 40.15 3i1o s TYR 85 CO 0.01 -0.15 -0.03 0.15 -1.11 0.00 0.00 175.55 174.42 3i1o s LYS 86 N -0.34 0.30 0.74 -0.62 1.02 -0.60 -4.96 119.74 115.29 3i1o s LYS 86 Ca 0.02 -0.09 -0.11 0.00 0.02 0.00 0.00 55.97 55.81 3i1o s LYS 86 Cb -0.12 -0.33 0.04 0.00 -0.52 0.00 0.00 37.83 36.90 3i1o s LYS 86 CO 0.02 0.03 1.09 1.03 -0.92 0.00 0.00 175.35 176.60 3i1o s ARG 87 N 0.15 2.46 0.63 1.68 0.52 -1.26 -2.57 118.95 120.55 3i1o s ARG 87 Ca -0.01 1.14 0.19 0.00 -0.52 0.00 0.00 55.73 56.53 3i1o s ARG 87 Cb -0.04 -1.92 0.77 0.00 0.52 0.00 0.00 34.95 34.28 3i1o s ARG 87 CO -0.00 -1.49 1.35 1.57 0.02 0.00 0.00 175.30 176.74 3i1o h LYS 88 N -0.92 0.00 0.00 3.54 2.10 -1.92 0.14 116.57 119.51 3i1o h LYS 88 Ca -0.44 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 57.97 3i1o h LYS 88 Cb 1.23 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.52 3i1o h LYS 88 CO 0.53 0.00 -1.37 -0.25 -2.00 0.00 0.00 179.45 176.36 3i1o n ASP 89 N -3.04 1.87 0.24 7.07 9.92 -1.26 -4.29 116.55 127.06 3i1o n ASP 89 Ca 0.12 0.43 0.12 0.00 -0.53 0.00 0.00 54.79 54.92 3i1o n ASP 89 Cb 1.14 -0.94 0.64 0.00 -0.64 0.00 0.00 41.12 41.33 3i1o n ASP 89 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 3i1o h GLU 90 N -1.00 0.00 -6.05 -1.24 5.08 -1.06 -3.43 114.58 106.87 3i1o h GLU 90 Ca -0.36 0.00 -0.82 0.00 -1.00 0.00 0.00 59.36 57.18 3i1o h GLU 90 Cb 1.28 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.55 3i1o h GLU 90 CO -0.22 0.00 0.57 1.28 -1.00 0.00 0.00 179.01 179.64 3i1o n LEU 91 N -2.48 1.20 -4.73 1.33 4.77 -1.07 -4.85 117.00 111.16 3i1o n LEU 91 Ca -0.02 1.16 -0.41 0.00 -0.03 0.00 0.00 56.01 56.71 3i1o n LEU 91 Cb 0.27 -0.96 -0.05 0.00 -2.33 0.00 0.00 43.42 40.35 3i1o n LEU 91 CO 0.10 -1.02 0.68 -2.16 -1.33 0.00 0.00 177.39 173.67 3i1o s PRO 92 N 2.22 4.70 -0.29 3.23 0.04 -1.26 -5.04 135.00 138.60 3i1o s PRO 92 Ca 0.99 1.49 -0.10 0.00 0.04 0.00 0.00 61.00 63.42 3i1o s PRO 92 Cb -1.32 -3.35 -0.03 0.00 0.04 0.00 0.00 34.50 29.84 3i1o s PRO 92 CO 0.70 0.23 0.17 -1.59 0.04 0.00 0.00 177.00 176.56 3i1o s LYS 93 N -0.20 3.70 0.13 4.56 0.00 -1.26 -4.82 119.74 121.85 3i1o s LYS 93 Ca 0.47 -0.48 -0.23 0.00 0.00 0.00 0.00 55.97 55.73 3i1o s LYS 93 Cb -0.25 -3.61 -0.07 0.00 0.00 0.00 0.00 37.83 33.90 3i1o s LYS 93 CO 0.31 -0.27 0.69 0.08 0.00 0.00 0.00 175.35 176.16 3i1o s VAL 94 N 1.70 4.52 -1.64 1.79 1.01 -1.26 -3.47 120.40 123.05 3i1o s VAL 94 Ca 0.06 1.50 0.00 0.00 0.00 0.00 0.00 61.98 63.54 3i1o s VAL 94 Cb -0.16 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.18 3i1o s VAL 94 CO 0.09 0.53 0.00 0.23 0.00 0.00 0.00 175.10 175.95 3i1o n MET 95 N 1.62 -1.47 -3.68 2.72 2.81 -1.26 -2.88 117.12 114.98 3i1o n MET 95 Ca -0.07 0.92 -0.23 0.00 -1.81 0.00 0.00 57.70 56.51 3i1o n MET 95 Cb 0.50 -5.28 0.01 0.00 -0.71 0.00 0.00 33.22 27.73 3i1o n MET 95 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i1o n ALA 96 N 0.27 -2.72 0.00 3.04 0.00 -1.23 -4.50 120.51 115.38 3i1o n ALA 96 Ca -0.17 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.02 3i1o n ALA 96 Cb 0.55 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3i1o n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1o n GLY 97 N -1.72 -2.17 5.70 0.00 0.00 -1.14 -4.96 105.19 100.90 3i1o n GLY 97 Ca -0.22 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.07 3i1o n GLY 97 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i1o n LEU 98 N 0.00 0.00 -4.74 0.99 4.77 -1.26 -4.67 117.00 112.08 3i1o n LEU 98 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 3i1o n LEU 98 Cb 0.00 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.17 3i1o n LEU 98 CO 0.00 0.00 0.75 -0.83 -1.33 0.00 0.00 177.39 175.98 3i1o s GLY 99 N 0.00 2.13 0.52 -0.72 0.00 -1.23 -5.06 107.32 102.95 3i1o s GLY 99 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 44.72 45.37 3i1o s GLY 99 CO 0.00 1.02 0.01 -0.26 0.00 0.00 0.00 173.10 173.87 3i1o s ILE 100 N -2.30 1.03 -0.24 0.90 -5.25 -0.91 -4.15 121.20 110.28 3i1o s ILE 100 Ca 0.69 -2.00 -0.09 0.00 -0.99 0.00 0.00 60.65 58.26 3i1o s ILE 100 Cb -0.23 -2.06 0.10 0.00 2.95 0.00 0.00 42.46 43.22 3i1o s ILE 100 CO 0.46 0.00 0.52 0.00 -1.79 0.00 0.00 174.94 174.13 3i1o s ALA 101 N -2.91 -1.52 0.44 2.27 0.00 -1.26 -1.72 121.76 117.06 3i1o s ALA 101 Ca 0.02 1.86 -0.21 0.00 0.00 0.00 0.00 51.96 53.64 3i1o s ALA 101 Cb 0.01 -1.48 -0.10 0.00 0.00 0.00 0.00 23.12 21.54 3i1o s ALA 101 CO 0.01 -0.78 0.96 0.14 0.00 0.00 0.00 175.76 176.09 3i1o s VAL 102 N 2.62 4.34 -0.10 0.00 -7.23 -1.10 -1.65 120.40 117.29 3i1o s VAL 102 Ca -0.04 1.43 -0.18 0.00 -1.81 0.00 0.00 61.98 61.38 3i1o s VAL 102 Cb -0.12 -3.59 0.04 0.00 0.56 0.00 0.00 36.38 33.27 3i1o s VAL 102 CO -0.15 -0.34 0.44 0.68 -0.31 0.00 0.00 175.10 175.41 3i1o s VAL 103 N -2.20 0.02 -0.27 1.32 -7.23 -0.34 -2.62 120.40 109.08 3i1o s VAL 103 Ca 0.62 -0.16 -0.14 0.00 -1.81 0.00 0.00 61.98 60.49 3i1o s VAL 103 Cb -0.10 -0.68 -0.04 0.00 0.56 0.00 0.00 36.38 36.12 3i1o s VAL 103 CO 0.15 -0.09 0.31 -0.55 -0.31 0.00 0.00 175.10 174.61 3i1o s SER 104 N -0.51 6.18 0.48 4.85 0.15 -0.34 -1.41 113.70 123.10 3i1o s SER 104 Ca -0.06 0.19 0.02 0.00 0.70 0.00 0.00 55.95 56.81 3i1o s SER 104 Cb -0.03 -2.18 -0.03 0.00 -1.71 0.00 0.00 66.02 62.07 3i1o s SER 104 CO 0.03 -0.13 0.02 0.42 1.20 0.00 0.00 173.24 174.79 3i1o s THR 105 N 1.91 1.20 0.04 6.45 -4.23 -0.51 -1.87 115.64 118.62 3i1o s THR 105 Ca 0.12 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.79 3i1o s THR 105 Cb -0.16 -2.32 0.07 0.00 1.34 0.00 0.00 72.50 71.43 3i1o s THR 105 CO 0.10 0.00 1.57 0.77 -0.54 0.00 0.00 174.62 176.52 3i1o h SER 106 N 1.49 0.00 -0.41 3.99 4.64 -1.97 -2.61 113.55 118.67 3i1o h SER 106 Ca -0.43 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.76 3i1o h SER 106 Cb 1.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 3i1o h SER 106 CO 0.73 0.49 -0.25 0.50 -0.87 0.00 0.00 176.83 177.42 3i1o h LYS 107 N 0.00 0.90 0.00 4.77 3.64 -1.96 -3.49 116.57 120.43 3i1o h LYS 107 Ca -0.00 -0.42 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 3i1o h LYS 107 Cb 1.18 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3i1o h LYS 107 CO 0.06 1.07 0.00 0.41 -2.27 0.00 0.00 179.45 178.72 3i1o n GLY 108 N -0.01 -0.03 3.61 5.01 0.00 -0.98 -5.11 105.19 107.68 3i1o n GLY 108 Ca -0.01 -1.28 -0.39 0.00 0.00 0.00 0.00 46.02 44.33 3i1o n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1o s VAL 109 N -1.98 5.14 0.00 1.61 1.01 -1.26 -1.42 120.40 123.50 3i1o s VAL 109 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.67 3i1o s VAL 109 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.63 3i1o s VAL 109 CO 0.00 0.14 0.00 1.15 0.00 0.00 0.00 175.10 176.39 3i1o n MET 110 N 5.36 0.00 -1.36 2.72 3.85 -0.50 -4.91 117.12 122.29 3i1o n MET 110 Ca -0.07 0.00 -0.37 0.00 -1.00 0.00 0.00 57.70 56.26 3i1o n MET 110 Cb 0.50 0.00 0.06 0.00 -1.05 0.00 0.00 33.22 32.73 3i1o n MET 110 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 3i1o n THR 111 N 0.00 2.12 -0.03 3.17 -1.04 -1.26 -1.20 114.28 116.03 3i1o n THR 111 Ca 0.00 -0.44 -0.12 0.00 -2.04 0.00 0.00 64.05 61.45 3i1o n THR 111 Cb 0.00 -0.75 -0.07 0.00 -1.82 0.00 0.00 70.33 67.68 3i1o n THR 111 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 3i1o h ASP 112 N -0.10 0.18 -0.30 8.00 -0.00 -1.67 -2.09 116.42 120.45 3i1o h ASP 112 Ca -0.46 -0.35 0.05 0.00 -0.00 0.00 0.00 57.03 56.28 3i1o h ASP 112 Cb 1.37 -0.05 -0.05 0.00 -0.00 0.00 0.00 39.33 40.60 3i1o h ASP 112 CO 0.45 0.49 -0.02 -0.09 -0.00 0.00 0.00 179.24 180.07 3i1o h ARG 113 N -0.13 0.06 0.00 0.28 1.12 -1.91 -1.30 114.38 112.51 3i1o h ARG 113 Ca 0.03 -0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.89 3i1o h ARG 113 Cb 0.41 -0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.35 3i1o h ARG 113 CO 0.01 0.04 -0.03 0.00 -3.11 0.00 0.00 179.97 176.88 3i1o h ALA 114 N 1.27 1.16 0.07 2.80 0.00 -1.90 -1.98 119.26 120.67 3i1o h ALA 114 Ca 0.15 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3i1o h ALA 114 Cb 0.20 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.00 3i1o h ALA 114 CO -0.26 0.03 -0.42 0.00 0.00 0.00 0.00 179.25 178.60 3i1o h ALA 115 N 1.97 -0.03 0.00 0.00 0.00 -0.53 -3.21 119.26 117.46 3i1o h ALA 115 Ca -0.00 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 3i1o h ALA 115 Cb 0.16 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3i1o h ALA 115 CO 0.00 0.20 -0.00 0.00 0.00 0.00 0.00 179.25 179.45 3i1o h ARG 116 N -0.70 0.00 0.00 0.00 3.08 -1.14 0.69 114.38 116.31 3i1o h ARG 116 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3i1o h ARG 116 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 3i1o h ARG 116 CO 0.07 0.00 0.00 0.94 -1.07 0.00 0.00 179.97 179.91 3i1o n GLN 117 N -4.42 0.00 -0.06 0.04 7.27 -0.77 -2.00 117.38 117.44 3i1o n GLN 117 Ca -0.03 0.46 -0.01 0.00 0.07 0.00 0.00 57.00 57.50 3i1o n GLN 117 Cb 0.09 -1.24 0.02 0.00 2.41 0.00 0.00 30.24 31.51 3i1o n GLN 117 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3i1o n ALA 118 N -1.56 2.64 -3.50 1.69 0.00 -1.16 -4.91 120.51 113.70 3i1o n ALA 118 Ca 0.00 -0.14 -0.34 0.00 0.00 0.00 0.00 53.44 52.95 3i1o n ALA 118 Cb 0.00 -1.02 0.03 0.00 0.00 0.00 0.00 19.45 18.46 3i1o n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1o n GLY 119 N 0.23 -0.20 3.50 0.00 0.00 0.03 -4.99 105.19 103.76 3i1o n GLY 119 Ca 0.03 1.07 -0.25 0.00 0.00 0.00 0.00 46.02 46.87 3i1o n GLY 119 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i1o s LEU 120 N -2.91 2.66 -0.05 0.99 1.43 -0.05 -4.97 118.68 115.78 3i1o s LEU 120 Ca 0.31 -1.12 0.03 0.00 -1.03 0.00 0.00 54.13 52.31 3i1o s LEU 120 Cb -0.04 -1.01 0.01 0.00 0.03 0.00 0.00 46.19 45.18 3i1o s LEU 120 CO 0.87 -0.11 -0.12 -0.83 0.23 0.00 0.00 176.35 176.39 3i1o s GLY 121 N -3.55 0.77 0.36 -3.19 0.00 -1.26 -3.24 107.32 97.21 3i1o s GLY 121 Ca 0.31 -0.44 -0.06 0.00 0.00 0.00 0.00 44.72 44.53 3i1o s GLY 121 CO 0.15 0.02 0.58 0.61 0.00 0.00 0.00 173.10 174.46 3i1o n GLY 122 N 3.63 1.74 3.68 0.20 0.00 -1.06 -4.60 105.19 108.77 3i1o n GLY 122 Ca -0.21 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 3i1o n GLY 122 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i1o s GLU 123 N -2.56 4.39 0.88 1.61 2.12 -0.78 -1.55 118.70 122.81 3i1o s GLU 123 Ca 0.25 1.42 -0.11 0.00 0.36 0.00 0.00 54.97 56.88 3i1o s GLU 123 Cb -0.02 -3.56 0.12 0.00 0.26 0.00 0.00 34.13 30.93 3i1o s GLU 123 CO 0.18 -0.38 1.10 0.42 -0.54 0.00 0.00 175.26 176.04 3i1o s ILE 124 N 2.22 2.72 0.15 -3.70 -1.09 -0.75 -1.20 121.20 119.55 3i1o s ILE 124 Ca 0.49 0.23 0.00 0.00 -2.23 0.00 0.00 60.65 59.14 3i1o s ILE 124 Cb -0.18 -2.60 0.00 0.00 -1.58 0.00 0.00 42.46 38.09 3i1o s ILE 124 CO 0.17 -0.31 0.00 -0.38 -1.23 0.00 0.00 174.94 173.19 3i1o n ILE 125 N -3.91 0.05 -3.55 2.92 5.41 -1.08 -3.80 119.36 115.41 3i1o n ILE 125 Ca 0.08 0.02 -0.17 0.00 1.00 0.00 0.00 62.75 63.68 3i1o n ILE 125 Cb 0.54 -0.58 -0.06 0.00 -0.71 0.00 0.00 39.64 38.82 3i1o n ILE 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i1o s TYR 127 N -0.97 3.54 0.07 0.00 2.02 -1.24 -2.70 117.35 118.06 3i1o s TYR 127 Ca -0.10 -2.20 -0.31 0.00 -0.37 0.00 0.00 57.07 54.10 3i1o s TYR 127 Cb -0.01 -3.52 -0.06 0.00 -0.40 0.00 0.00 41.96 37.97 3i1o s TYR 127 CO 0.09 -0.94 1.20 0.08 -1.57 0.00 0.00 175.55 174.41 3i1o s VAL 128 N 0.41 3.98 -2.50 0.71 1.01 -0.70 -2.41 120.40 120.91 3i1o s VAL 128 Ca 0.14 1.44 0.20 0.00 0.00 0.00 0.00 61.98 63.76 3i1o s VAL 128 Cb -0.18 -3.92 0.16 0.00 0.00 0.00 0.00 36.38 32.43 3i1o s VAL 128 CO -0.05 0.12 1.13 0.00 0.00 0.00 0.00 175.10 176.31