#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oar h LEU 2 N 0.00 0.47 -0.46 4.03 6.46 -2.04 -1.85 115.31 121.92 2oar h LEU 2 Ca 0.00 -0.09 -0.16 0.00 -0.12 0.00 0.00 57.88 57.51 2oar h LEU 2 Cb 0.00 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 39.80 2oar h LEU 2 CO 0.00 0.55 -0.48 0.50 -0.62 0.00 0.00 178.44 178.39 2oar h LYS 3 N 0.48 0.74 -0.18 1.25 3.64 -2.04 -1.73 116.57 118.73 2oar h LYS 3 Ca 0.10 -0.43 -0.10 0.00 -1.27 0.00 0.00 60.65 58.95 2oar h LYS 3 Cb 0.34 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2oar h LYS 3 CO 0.01 1.05 -0.28 0.78 -2.27 0.00 0.00 179.45 178.75 2oar h GLY 4 N 0.89 0.56 0.85 5.01 0.00 -1.89 0.84 103.07 109.34 2oar h GLY 4 Ca 0.03 -0.62 -0.09 0.00 0.00 0.00 0.00 47.33 46.65 2oar h GLY 4 CO 0.10 0.56 -0.20 -2.75 0.00 0.00 0.00 176.54 174.25 2oar h PHE 5 N 0.17 0.62 -0.61 5.60 3.57 -1.42 -1.22 116.94 123.64 2oar h PHE 5 Ca 0.02 -0.18 -0.09 0.00 3.53 0.00 0.00 57.97 61.25 2oar h PHE 5 Cb 0.85 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 2oar h PHE 5 CO 0.09 0.86 0.05 -0.22 -2.23 0.00 0.00 178.31 176.85 2oar h LYS 6 N 0.21 1.04 -0.17 1.11 3.64 -1.38 0.18 116.57 121.20 2oar h LYS 6 Ca 0.04 -0.30 -0.12 0.00 -1.27 0.00 0.00 60.65 58.99 2oar h LYS 6 Cb 0.74 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 2oar h LYS 6 CO 0.05 0.99 -0.43 1.49 -2.27 0.00 0.00 179.45 179.28 2oar h GLU 7 N 0.96 0.40 -0.11 1.90 4.81 -0.83 -1.39 114.58 120.33 2oar h GLU 7 Ca 0.18 -0.20 -0.15 0.00 -0.13 0.00 0.00 59.36 59.06 2oar h GLU 7 Cb 0.49 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 2oar h GLU 7 CO 0.02 0.76 -0.56 0.35 -0.73 0.00 0.00 179.01 178.84 2oar h PHE 8 N 0.33 0.42 -0.18 0.92 3.57 -0.94 -3.02 116.94 118.04 2oar h PHE 8 Ca 0.03 -0.15 -0.16 0.00 3.53 0.00 0.00 57.97 61.21 2oar h PHE 8 Cb 0.89 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 2oar h PHE 8 CO 0.03 0.82 -0.56 -0.07 -2.23 0.00 0.00 178.31 176.30 2oar h LEU 9 N 0.26 0.61 -0.89 0.59 3.38 -0.46 0.43 115.31 119.23 2oar h LEU 9 Ca 0.00 -0.33 -0.09 0.00 0.09 0.00 0.00 57.88 57.55 2oar h LEU 9 Cb 1.07 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 2oar h LEU 9 CO 0.09 1.05 -0.16 0.00 0.09 0.00 0.00 178.44 179.51 2oar h ALA 10 N 0.96 1.06 0.00 1.53 0.00 -1.35 0.79 119.26 122.26 2oar h ALA 10 Ca 0.01 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2oar h ALA 10 Cb 1.11 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2oar h ALA 10 CO 0.11 0.57 -0.01 -0.09 0.00 0.00 0.00 179.25 179.83 2oar h ARG 11 N 0.58 0.00 -4.92 0.00 9.65 -1.38 -3.42 114.38 114.88 2oar h ARG 11 Ca 0.10 0.00 -0.47 0.00 -1.10 0.00 0.00 59.98 58.51 2oar h ARG 11 Cb 0.60 0.00 0.12 0.00 -1.39 0.00 0.00 29.97 29.30 2oar h ARG 11 CO 0.04 0.01 1.22 0.41 2.80 0.00 0.00 179.97 184.45 2oar n GLY 12 N -1.50 0.53 0.24 2.80 0.00 0.27 -4.45 105.19 103.08 2oar n GLY 12 Ca -0.03 -0.74 0.04 0.00 0.00 0.00 0.00 46.02 45.29 2oar n GLY 12 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2oar h ASN 13 N 9.43 0.12 -0.54 1.61 -1.24 -1.83 0.45 115.58 123.59 2oar h ASN 13 Ca 0.21 -0.02 0.03 0.00 0.71 0.00 0.00 56.30 57.22 2oar h ASN 13 Cb 0.62 -0.03 -0.04 0.00 0.73 0.00 0.00 38.32 39.60 2oar h ASN 13 CO 1.76 0.27 0.32 0.40 -1.29 0.00 0.00 177.43 178.89 2oar h ILE 14 N 0.12 1.05 -0.62 2.57 2.04 -1.92 -1.42 117.51 119.34 2oar h ILE 14 Ca 0.03 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 2oar h ILE 14 Cb 0.31 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 2oar h ILE 14 CO 0.02 0.12 0.35 0.58 0.00 0.00 0.00 178.15 179.22 2oar h VAL 15 N 0.64 1.19 -0.43 1.67 2.07 -0.41 0.49 116.25 121.46 2oar h VAL 15 Ca 0.22 -0.46 0.02 0.00 0.82 0.00 0.00 66.70 67.29 2oar h VAL 15 Cb 0.03 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 2oar h VAL 15 CO -0.10 0.21 0.25 0.44 0.02 0.00 0.00 177.57 178.39 2oar h ASP 16 N 0.84 0.41 -0.21 0.57 5.19 -0.75 -1.64 116.42 120.83 2oar h ASP 16 Ca 0.22 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.56 2oar h ASP 16 Cb 0.02 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 39.44 2oar h ASP 16 CO -0.04 0.29 -0.15 0.25 -3.12 0.00 0.00 179.24 176.47 2oar h LEU 17 N 0.51 0.49 -0.55 1.55 6.46 -0.71 -1.67 115.31 121.40 2oar h LEU 17 Ca 0.17 -0.45 0.01 0.00 -0.12 0.00 0.00 57.88 57.49 2oar h LEU 17 Cb 0.01 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 39.78 2oar h LEU 17 CO -0.08 0.84 0.36 0.00 -0.62 0.00 0.00 178.44 178.93 2oar h ALA 18 N 0.67 0.69 -0.94 1.25 0.00 0.06 0.31 119.26 121.30 2oar h ALA 18 Ca 0.04 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2oar h ALA 18 Cb 0.68 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 2oar h ALA 18 CO 0.04 0.12 0.61 0.28 0.00 0.00 0.00 179.25 180.30 2oar h VAL 19 N 0.72 1.25 -0.56 0.00 2.07 -1.20 0.08 116.25 118.60 2oar h VAL 19 Ca 0.20 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.26 2oar h VAL 19 Cb -0.06 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 29.55 2oar h VAL 19 CO -0.05 0.24 0.37 0.00 0.02 0.00 0.00 177.57 178.15 2oar h ALA 20 N 1.39 0.71 -0.21 1.67 0.00 0.44 -1.08 119.26 122.18 2oar h ALA 20 Ca 0.34 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.11 2oar h ALA 20 Cb -0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2oar h ALA 20 CO -0.07 0.14 -0.32 -0.39 0.00 0.00 0.00 179.25 178.60 2oar h VAL 21 N 0.75 1.28 -0.29 0.00 -1.51 0.13 -1.07 116.25 115.54 2oar h VAL 21 Ca 0.21 -1.39 -0.01 0.00 -1.23 0.00 0.00 66.70 64.28 2oar h VAL 21 Cb -0.07 1.48 -0.01 0.00 -2.13 0.00 0.00 31.29 30.55 2oar h VAL 21 CO -0.05 0.43 0.15 0.58 -1.23 0.00 0.00 177.57 177.45 2oar h VAL 22 N 0.38 1.14 -0.15 7.19 2.07 -0.24 -1.04 116.25 125.59 2oar h VAL 22 Ca 0.05 -0.38 -0.17 0.00 0.82 0.00 0.00 66.70 67.01 2oar h VAL 22 Cb 0.75 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2oar h VAL 22 CO 0.06 0.14 -0.61 0.40 0.02 0.00 0.00 177.57 177.58 2oar h ILE 23 N 0.35 1.33 -0.22 4.57 2.04 -1.13 -1.79 117.51 122.66 2oar h ILE 23 Ca 0.10 -1.89 -0.05 0.00 1.00 0.00 0.00 64.86 64.02 2oar h ILE 23 Cb 0.09 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 2oar h ILE 23 CO -0.01 0.58 -0.05 1.23 0.00 0.00 0.00 178.15 179.90 2oar h GLY 24 N 1.09 0.46 1.03 5.37 0.00 -1.01 -1.48 103.07 108.54 2oar h GLY 24 Ca -0.01 -0.38 -0.10 0.00 0.00 0.00 0.00 47.33 46.85 2oar h GLY 24 CO 0.11 0.35 -0.08 -0.91 0.00 0.00 0.00 176.54 176.00 2oar h THR 25 N 0.16 1.27 -0.50 4.70 1.35 -1.23 -1.64 112.91 117.01 2oar h THR 25 Ca 0.06 -1.20 0.00 0.00 -0.55 0.00 0.00 66.41 64.72 2oar h THR 25 Cb 0.50 1.07 -0.02 0.00 -1.73 0.00 0.00 68.15 67.97 2oar h THR 25 CO 0.02 0.41 0.32 0.00 -0.25 0.00 0.00 175.52 176.03 2oar h ALA 26 N 0.89 0.64 -0.25 6.62 0.00 -1.29 -1.56 119.26 124.32 2oar h ALA 26 Ca 0.12 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2oar h ALA 26 Cb 0.63 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2oar h ALA 26 CO 0.04 0.10 -0.10 0.35 0.00 0.00 0.00 179.25 179.64 2oar h PHE 27 N 0.68 0.59 -0.82 0.00 3.04 -1.14 -1.57 116.94 117.72 2oar h PHE 27 Ca 0.18 -0.14 0.00 0.00 3.98 0.00 0.00 57.97 62.00 2oar h PHE 27 Cb -0.05 -0.14 -0.04 0.00 2.56 0.00 0.00 35.95 38.28 2oar h PHE 27 CO -0.04 0.76 0.53 1.79 -2.02 0.00 0.00 178.31 179.33 2oar h THR 28 N 0.25 1.22 -0.80 4.41 1.35 -1.19 -0.37 112.91 117.78 2oar h THR 28 Ca 0.06 -0.43 0.01 0.00 -0.55 0.00 0.00 66.41 65.50 2oar h THR 28 Cb 0.59 0.02 -0.04 0.00 -1.73 0.00 0.00 68.15 66.99 2oar h THR 28 CO 0.03 0.22 0.53 0.00 -0.25 0.00 0.00 175.52 176.05 2oar h ALA 29 N 1.46 1.01 -0.40 6.62 0.00 -1.07 -1.62 119.26 125.25 2oar h ALA 29 Ca 0.30 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 2oar h ALA 29 Cb -0.10 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 2oar h ALA 29 CO -0.06 0.42 0.12 1.25 0.00 0.00 0.00 179.25 180.99 2oar h LEU 30 N 1.08 0.59 -0.39 0.00 5.85 -0.07 -1.56 115.31 120.80 2oar h LEU 30 Ca 0.29 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 2oar h LEU 30 Cb -0.12 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 2oar h LEU 30 CO -0.06 0.64 0.24 0.58 -0.34 0.00 0.00 178.44 179.50 2oar h VAL 31 N 0.51 1.12 -0.21 1.05 2.07 -0.82 -1.38 116.25 118.58 2oar h VAL 31 Ca 0.13 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 2oar h VAL 31 Cb 0.26 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2oar h VAL 31 CO -0.00 0.12 -0.21 0.71 0.02 0.00 0.00 177.57 178.21 2oar h THR 32 N 0.52 1.24 -0.51 2.57 1.35 -1.23 -1.34 112.91 115.50 2oar h THR 32 Ca 0.14 -1.11 -0.08 0.00 -0.55 0.00 0.00 66.41 64.81 2oar h THR 32 Cb -0.02 1.31 -0.02 0.00 -1.73 0.00 0.00 68.15 67.69 2oar h THR 32 CO -0.03 0.35 -0.00 0.11 -0.25 0.00 0.00 175.52 175.70 2oar h LYS 33 N 0.34 0.90 -0.51 4.72 1.79 -0.79 0.48 116.57 123.50 2oar h LYS 33 Ca 0.06 -0.29 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 2oar h LYS 33 Cb 0.56 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.11 2oar h LYS 33 CO 0.04 0.93 0.34 0.35 -1.08 0.00 0.00 179.45 180.02 2oar h PHE 34 N 0.77 0.65 -0.50 -1.35 3.04 -0.76 0.42 116.94 119.20 2oar h PHE 34 Ca 0.14 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.12 2oar h PHE 34 Cb 0.52 -0.22 -0.03 0.00 2.56 0.00 0.00 35.95 38.79 2oar h PHE 34 CO 0.04 0.42 0.32 1.15 -2.02 0.00 0.00 178.31 178.22 2oar h THR 35 N 0.70 1.10 -0.19 4.41 2.02 -0.98 0.38 112.91 120.35 2oar h THR 35 Ca 0.19 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 2oar h THR 35 Cb -0.07 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 2oar h THR 35 CO -0.04 0.12 0.01 0.44 0.37 0.00 0.00 175.52 176.42 2oar h ASP 36 N 0.65 0.32 0.01 4.18 3.45 -0.28 0.25 116.42 125.00 2oar h ASP 36 Ca 0.19 -0.30 -0.00 0.00 0.43 0.00 0.00 57.03 57.36 2oar h ASP 36 Cb -0.04 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 38.65 2oar h ASP 36 CO -0.06 0.53 -0.00 0.77 -1.57 0.00 0.00 179.24 178.91 2oar h SER 37 N 0.09 -0.01 0.00 6.45 4.64 -0.68 -3.27 113.55 120.77 2oar h SER 37 Ca 0.05 -0.68 -0.00 0.00 -0.47 0.00 0.00 61.79 60.69 2oar h SER 37 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2oar h SER 37 CO 0.01 0.68 -0.00 0.40 -0.87 0.00 0.00 176.83 177.05 2oar h ILE 38 N -0.71 1.64 -0.00 0.95 1.08 -0.31 -3.40 117.51 116.77 2oar h ILE 38 Ca -0.00 -2.00 -0.11 0.00 -0.39 0.00 0.00 64.86 62.36 2oar h ILE 38 Cb 0.69 2.98 0.01 0.00 -3.07 0.00 0.00 36.82 37.43 2oar h ILE 38 CO 0.00 0.51 -0.43 0.40 -0.69 0.00 0.00 178.15 177.95 2oar h ILE 39 N -0.87 1.49 -0.70 -0.67 2.04 -0.62 -3.33 117.51 114.85 2oar h ILE 39 Ca -0.00 -2.02 -0.03 0.00 1.00 0.00 0.00 64.86 63.82 2oar h ILE 39 Cb 0.84 2.68 -0.03 0.00 -0.74 0.00 0.00 36.82 39.57 2oar h ILE 39 CO 0.00 0.57 0.32 0.74 0.00 0.00 0.00 178.15 179.78 2oar h THR 40 N -0.30 1.23 -0.73 -0.27 2.02 -1.04 -1.33 112.91 112.49 2oar h THR 40 Ca -0.05 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 2oar h THR 40 Cb 1.16 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 2oar h THR 40 CO 0.08 0.27 0.40 1.55 0.37 0.00 0.00 175.52 178.19 2oar h PRO 41 N 0.99 1.01 -0.71 6.66 0.13 -1.72 0.13 132.00 138.48 2oar h PRO 41 Ca 0.24 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2oar h PRO 41 Cb 0.12 -0.20 -0.04 0.00 0.13 0.00 0.00 31.00 31.02 2oar h PRO 41 CO -0.03 0.76 0.46 -0.07 -0.23 0.00 0.00 178.00 178.89 2oar h LEU 42 N 1.00 0.83 -0.75 1.56 4.07 -1.46 -0.42 115.31 120.14 2oar h LEU 42 Ca 0.26 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.19 2oar h LEU 42 Cb 0.04 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 41.54 2oar h LEU 42 CO -0.04 0.61 0.48 0.40 -1.08 0.00 0.00 178.44 178.81 2oar h ILE 43 N 0.97 1.20 -0.11 1.22 1.08 -0.71 -3.20 117.51 117.96 2oar h ILE 43 Ca 0.26 -0.40 -0.13 0.00 -0.39 0.00 0.00 64.86 64.20 2oar h ILE 43 Cb -0.09 0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 33.76 2oar h ILE 43 CO -0.05 0.20 -0.51 0.78 -0.69 0.00 0.00 178.15 177.88 2oar h ASN 44 N 1.03 0.32 -0.52 1.72 4.21 0.65 -0.41 115.58 122.57 2oar h ASN 44 Ca 0.27 -0.16 0.02 0.00 1.21 0.00 0.00 56.30 57.65 2oar h ASN 44 Cb -0.09 -0.09 -0.03 0.00 -1.12 0.00 0.00 38.32 37.00 2oar h ASN 44 CO -0.06 0.77 0.34 -0.09 -1.29 0.00 0.00 177.43 177.11 2oar h ARG 45 N 0.23 0.62 0.32 0.81 1.12 -1.13 -3.04 114.38 113.31 2oar h ARG 45 Ca 0.01 -0.04 -0.02 0.00 -1.11 0.00 0.00 59.98 58.83 2oar h ARG 45 Cb 0.98 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 30.80 2oar h ARG 45 CO 0.08 0.41 -0.15 0.82 -3.11 0.00 0.00 179.97 178.02 2oar h ILE 46 N 0.64 0.00 -4.42 1.20 2.04 -1.62 -3.48 117.51 111.87 2oar h ILE 46 Ca 0.20 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.62 2oar h ILE 46 Cb 0.03 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.11 2oar h ILE 46 CO -0.05 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.71 2oar n GLY 47 N 0.45 0.00 1.68 5.37 0.00 -0.18 -4.82 105.19 107.70 2oar n GLY 47 Ca -0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.04 2oar n GLY 47 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2oar n VAL 48 N -0.42 2.59 0.00 1.61 0.31 -1.26 -4.77 118.33 116.39 2oar n VAL 48 Ca 0.00 -1.47 0.00 0.00 -0.01 0.00 0.00 64.34 62.86 2oar n VAL 48 Cb 0.00 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 2oar n VAL 48 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2oar n ASN 49 N 0.47 0.00 0.00 4.52 3.02 -1.26 -4.88 115.26 117.13 2oar n ASN 49 Ca 0.26 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 2oar n ASN 49 Cb 1.12 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.29 2oar n ASN 49 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2oar n ALA 50 N -3.00 0.00 -1.27 5.41 0.00 -1.26 -4.77 120.51 115.63 2oar n ALA 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2oar n ALA 50 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2oar n ALA 50 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2oar n GLN 51 N 0.00 0.68 -1.48 0.00 -0.06 -0.60 -4.74 117.38 111.18 2oar n GLN 51 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2oar n GLN 51 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2oar n GLN 51 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 2oar n SER 52 N -1.69 0.00 -3.56 1.69 3.41 -1.26 -0.47 113.62 111.74 2oar n SER 52 Ca 0.00 -0.84 -0.08 0.00 -0.26 0.00 0.00 58.87 57.69 2oar n SER 52 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 2oar n SER 52 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2oar s ASP 53 N -0.52 -0.29 0.41 4.04 2.15 -0.59 -4.95 116.67 116.92 2oar s ASP 53 Ca 0.00 0.15 -0.24 0.00 0.43 0.00 0.00 52.55 52.89 2oar s ASP 53 Cb 0.00 0.27 -0.11 0.00 -0.30 0.00 0.00 42.92 42.78 2oar s ASP 53 CO 0.00 -0.38 0.97 0.52 -0.17 0.00 0.00 175.17 176.11 2oar n VAL 54 N 0.21 2.36 -3.38 1.11 0.31 -1.26 -1.60 118.33 116.07 2oar n VAL 54 Ca -0.06 -0.50 -0.19 0.00 -0.01 0.00 0.00 64.34 63.57 2oar n VAL 54 Cb 0.59 -1.09 -0.09 0.00 -0.91 0.00 0.00 33.84 32.35 2oar n VAL 54 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2oar s GLY 55 N -0.75 0.17 -0.74 2.92 0.00 -1.26 -4.56 107.32 103.10 2oar s GLY 55 Ca 0.63 -1.17 0.04 0.00 0.00 0.00 0.00 44.72 44.22 2oar s GLY 55 CO 0.57 2.60 0.54 1.39 0.00 0.00 0.00 173.10 178.20 2oar n ILE 56 N 4.20 1.86 -1.57 0.90 5.41 -1.26 -1.58 119.36 127.32 2oar n ILE 56 Ca 0.11 -4.92 -0.43 0.00 1.00 0.00 0.00 62.75 58.52 2oar n ILE 56 Cb 0.43 -2.22 -0.04 0.00 -0.71 0.00 0.00 39.64 37.11 2oar n ILE 56 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2oar n LEU 57 N 1.99 2.94 -3.68 1.39 4.77 -1.26 -4.69 117.00 118.46 2oar n LEU 57 Ca 0.20 0.10 -0.42 0.00 -0.03 0.00 0.00 56.01 55.87 2oar n LEU 57 Cb 0.35 -1.52 -0.02 0.00 -2.33 0.00 0.00 43.42 39.90 2oar n LEU 57 CO 0.28 -0.84 2.53 -1.14 -1.33 0.00 0.00 177.39 176.89 2oar n ARG 58 N 8.74 2.45 0.00 3.23 0.00 -1.26 -0.48 116.66 129.34 2oar n ARG 58 Ca 0.33 -2.35 0.00 0.00 -0.00 0.00 0.00 57.85 55.83 2oar n ARG 58 Cb 0.43 -3.15 0.00 0.00 0.00 0.00 0.00 32.46 29.74 2oar n ARG 58 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 2oar n ILE 59 N 5.32 0.00 0.04 5.15 0.13 -1.26 -5.04 119.36 123.70 2oar n ILE 59 Ca 0.52 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 62.17 2oar n ILE 59 Cb 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.19 2oar n ILE 59 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2oar n GLY 60 N 0.00 -0.07 0.00 4.50 0.00 0.36 -5.16 105.19 104.83 2oar n GLY 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2oar n GLY 60 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2oar n ILE 61 N -3.02 0.00 0.00 -0.61 2.08 -0.64 -5.01 119.36 112.16 2oar n ILE 61 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2oar n ILE 61 Cb 0.15 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.04 2oar n ILE 61 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2oar n GLY 62 N 0.00 2.72 0.54 7.39 0.00 -1.26 -4.45 105.19 110.13 2oar n GLY 62 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2oar n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oar n GLY 63 N 0.00 -0.35 0.00 -0.02 0.00 -0.61 -4.89 105.19 99.32 2oar n GLY 63 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2oar n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oar n GLY 64 N -1.13 1.36 3.27 -0.02 0.00 -0.88 -4.59 105.19 103.20 2oar n GLY 64 Ca 0.00 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 2oar n GLY 64 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2oar s GLN 65 N -2.00 0.57 0.11 1.61 2.00 -0.63 -4.27 119.66 117.06 2oar s GLN 65 Ca 0.00 0.23 0.09 0.00 -2.00 0.00 0.00 55.36 53.67 2oar s GLN 65 Cb 0.00 0.26 -0.04 0.00 0.80 0.00 0.00 33.01 34.04 2oar s GLN 65 CO 0.00 -0.12 -0.21 0.95 -0.50 0.00 0.00 175.29 175.41 2oar s THR 66 N -0.49 1.78 -0.59 -0.34 -4.23 -1.26 -1.55 115.64 108.96 2oar s THR 66 Ca -0.06 -1.61 -0.04 0.00 -1.18 0.00 0.00 61.69 58.80 2oar s THR 66 Cb -0.04 -1.64 0.15 0.00 1.34 0.00 0.00 72.50 72.32 2oar s THR 66 CO 0.03 -0.08 0.41 -0.63 -0.54 0.00 0.00 174.62 173.81 2oar s ILE 67 N -1.27 3.75 -0.31 2.99 1.01 0.39 -4.95 121.20 122.80 2oar s ILE 67 Ca 0.08 -2.75 -0.29 0.00 0.00 0.00 0.00 60.65 57.70 2oar s ILE 67 Cb -0.09 -3.46 -0.01 0.00 0.01 0.00 0.00 42.46 38.91 2oar s ILE 67 CO 0.05 -0.85 1.54 -1.81 0.00 0.00 0.00 174.94 173.86 2oar s ASP 68 N 1.01 6.32 -0.03 3.58 1.11 -1.26 -1.56 116.67 125.84 2oar s ASP 68 Ca 0.15 1.25 0.05 0.00 0.18 0.00 0.00 52.55 54.18 2oar s ASP 68 Cb -0.20 -2.53 -0.24 0.00 1.07 0.00 0.00 42.92 41.01 2oar s ASP 68 CO -0.04 -1.37 0.71 -0.07 1.18 0.00 0.00 175.17 175.58 2oar h LEU 69 N 12.10 0.15 -1.12 1.23 -0.00 -1.90 -3.36 115.31 122.41 2oar h LEU 69 Ca -0.30 -0.28 0.04 0.00 -0.00 0.00 0.00 57.88 57.33 2oar h LEU 69 Cb 1.13 -0.05 -0.05 0.00 -0.00 0.00 0.00 40.66 41.69 2oar h LEU 69 CO 1.04 1.25 0.60 -0.55 -0.00 0.00 0.00 178.44 180.77 2oar h ASN 70 N 0.03 0.97 -0.61 -0.43 -1.07 -1.92 -0.50 115.58 112.05 2oar h ASN 70 Ca -0.28 -0.01 -0.08 0.00 0.07 0.00 0.00 56.30 56.01 2oar h ASN 70 Cb 1.99 -0.22 -0.02 0.00 -2.07 0.00 0.00 38.32 38.00 2oar h ASN 70 CO 0.10 0.66 0.08 1.62 0.07 0.00 0.00 177.43 179.96 2oar h VAL 71 N 1.12 1.26 -0.38 6.14 3.04 -1.98 0.15 116.25 125.60 2oar h VAL 71 Ca 0.37 -1.03 -0.01 0.00 -1.01 0.00 0.00 66.70 65.02 2oar h VAL 71 Cb 0.05 0.74 -0.02 0.00 -2.01 0.00 0.00 31.29 30.05 2oar h VAL 71 CO -0.12 0.38 0.19 0.25 -1.01 0.00 0.00 177.57 177.27 2oar h LEU 72 N 0.93 0.49 -0.54 3.16 5.85 -1.28 0.40 115.31 124.32 2oar h LEU 72 Ca 0.18 -0.11 -0.15 0.00 0.84 0.00 0.00 57.88 58.64 2oar h LEU 72 Cb 0.45 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2oar h LEU 72 CO 0.02 0.46 -0.42 0.25 -0.34 0.00 0.00 178.44 178.41 2oar h LEU 73 N 0.48 0.76 -0.83 2.25 6.46 -1.14 -1.23 115.31 122.06 2oar h LEU 73 Ca 0.13 -0.35 0.01 0.00 -0.12 0.00 0.00 57.88 57.55 2oar h LEU 73 Cb 0.09 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 39.77 2oar h LEU 73 CO -0.02 1.08 0.55 -1.28 -0.62 0.00 0.00 178.44 178.15 2oar h SER 74 N 0.58 0.96 -0.13 1.25 0.87 0.02 -0.46 113.55 116.65 2oar h SER 74 Ca 0.04 -0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.45 2oar h SER 74 Cb 0.96 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 2oar h SER 74 CO 0.09 0.70 -0.32 0.00 -0.53 0.00 0.00 176.83 176.78 2oar h ALA 75 N 1.30 0.90 -0.29 6.23 0.00 0.09 -1.65 119.26 125.85 2oar h ALA 75 Ca 0.30 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2oar h ALA 75 Cb -0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2oar h ALA 75 CO -0.06 0.62 0.01 0.00 0.00 0.00 0.00 179.25 179.82 2oar h ALA 76 N 1.12 0.39 -0.56 0.00 0.00 -0.58 -0.66 119.26 118.97 2oar h ALA 76 Ca 0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2oar h ALA 76 Cb 0.81 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2oar h ALA 76 CO 0.07 0.12 0.23 0.82 0.00 0.00 0.00 179.25 180.48 2oar h ILE 77 N 0.30 1.20 -0.49 0.00 2.04 -1.03 -0.50 117.51 119.03 2oar h ILE 77 Ca 0.08 -0.63 0.01 0.00 1.00 0.00 0.00 64.86 65.33 2oar h ILE 77 Cb 0.41 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 2oar h ILE 77 CO 0.01 0.25 0.31 -1.13 0.00 0.00 0.00 178.15 177.59 2oar h ASN 78 N 0.80 0.53 -0.53 1.72 -1.24 -0.74 -0.83 115.58 115.30 2oar h ASN 78 Ca 0.19 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.19 2oar h ASN 78 Cb 0.15 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 39.05 2oar h ASN 78 CO -0.02 0.38 0.34 0.15 -1.29 0.00 0.00 177.43 176.99 2oar h PHE 79 N 0.64 0.67 -0.54 0.67 3.57 0.29 -1.26 116.94 120.97 2oar h PHE 79 Ca 0.18 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 2oar h PHE 79 Cb -0.05 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.44 2oar h PHE 79 CO -0.05 0.44 0.30 0.74 -2.23 0.00 0.00 178.31 177.51 2oar h PHE 80 N 0.71 0.74 -0.46 0.41 -1.00 -0.71 0.24 116.94 116.88 2oar h PHE 80 Ca 0.19 -0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.98 2oar h PHE 80 Cb -0.06 -0.24 -0.02 0.00 3.61 0.00 0.00 35.95 39.24 2oar h PHE 80 CO -0.03 0.54 0.30 -0.07 -1.61 0.00 0.00 178.31 177.44 2oar h LEU 81 N 0.73 0.46 -0.19 1.54 3.38 -0.39 0.39 115.31 121.23 2oar h LEU 81 Ca 0.19 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.05 2oar h LEU 81 Cb 0.04 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2oar h LEU 81 CO -0.03 0.32 -0.27 0.40 0.09 0.00 0.00 178.44 178.95 2oar h ILE 82 N 0.54 1.34 -0.50 1.22 2.04 -0.26 0.14 117.51 122.02 2oar h ILE 82 Ca 0.18 -1.48 0.00 0.00 1.00 0.00 0.00 64.86 64.56 2oar h ILE 82 Cb 0.06 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 2oar h ILE 82 CO -0.04 0.45 0.33 0.00 0.00 0.00 0.00 178.15 178.88 2oar h ALA 83 N 0.61 0.64 -0.40 1.87 0.00 0.48 0.16 119.26 122.61 2oar h ALA 83 Ca 0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2oar h ALA 83 Cb 0.84 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2oar h ALA 83 CO 0.06 0.09 0.13 0.74 0.00 0.00 0.00 179.25 180.28 2oar h PHE 84 N 0.68 0.63 -0.35 0.00 -1.00 -0.21 -1.48 116.94 115.21 2oar h PHE 84 Ca 0.18 -0.06 -0.03 0.00 2.81 0.00 0.00 57.97 60.88 2oar h PHE 84 Cb -0.07 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 39.29 2oar h PHE 84 CO -0.04 0.58 0.11 0.00 -1.61 0.00 0.00 178.31 177.35 2oar h ALA 85 N 0.98 0.45 -0.19 2.45 0.00 -0.17 0.22 119.26 123.01 2oar h ALA 85 Ca 0.13 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2oar h ALA 85 Cb 0.24 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2oar h ALA 85 CO -0.01 0.09 -0.24 -0.24 0.00 0.00 0.00 179.25 178.85 2oar h VAL 86 N 0.41 1.34 -0.18 0.00 3.04 -0.68 0.16 116.25 120.34 2oar h VAL 86 Ca 0.11 -1.44 -0.05 0.00 -1.01 0.00 0.00 66.70 64.31 2oar h VAL 86 Cb 0.25 1.84 -0.00 0.00 -2.01 0.00 0.00 31.29 31.36 2oar h VAL 86 CO -0.00 0.44 -0.09 0.22 -1.01 0.00 0.00 177.57 177.12 2oar h TYR 87 N 0.15 0.44 -0.07 3.17 3.20 -1.25 0.22 116.97 122.84 2oar h TYR 87 Ca 0.02 -0.11 -0.06 0.00 3.14 0.00 0.00 58.73 61.72 2oar h TYR 87 Cb 0.81 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.98 2oar h TYR 87 CO 0.09 0.69 -0.18 0.35 -1.64 0.00 0.00 178.16 177.47 2oar h PHE 88 N 0.07 0.32 -0.00 -3.82 3.04 -0.57 0.55 116.94 116.53 2oar h PHE 88 Ca 0.04 -0.12 -0.00 0.00 3.98 0.00 0.00 57.97 61.86 2oar h PHE 88 Cb 0.58 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 39.03 2oar h PHE 88 CO 0.07 0.79 -0.02 1.25 -2.02 0.00 0.00 178.31 178.38 2oar h LEU 89 N -0.23 0.02 0.02 0.59 5.85 -0.74 -3.34 115.31 117.48 2oar h LEU 89 Ca -0.00 -0.65 -0.07 0.00 0.84 0.00 0.00 57.88 58.00 2oar h LEU 89 Cb 0.78 -0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.81 2oar h LEU 89 CO 0.04 0.67 -0.29 0.58 -0.34 0.00 0.00 178.44 179.10 2oar h VAL 90 N -0.62 1.59 -0.18 1.05 2.07 -0.70 -3.39 116.25 116.06 2oar h VAL 90 Ca -0.00 -2.11 -0.11 0.00 0.82 0.00 0.00 66.70 65.29 2oar h VAL 90 Cb 0.67 2.95 0.00 0.00 -1.52 0.00 0.00 31.29 33.39 2oar h VAL 90 CO 0.00 0.58 -0.33 0.58 0.02 0.00 0.00 177.57 178.42 2oar h VAL 91 N -0.58 1.34 -0.44 2.57 2.07 0.10 -1.84 116.25 119.47 2oar h VAL 91 Ca -0.04 -1.56 0.01 0.00 0.82 0.00 0.00 66.70 65.93 2oar h VAL 91 Cb 1.10 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 32.74 2oar h VAL 91 CO 0.06 0.48 0.28 0.25 0.02 0.00 0.00 177.57 178.65 2oar h LEU 92 N 0.20 0.47 -0.19 2.57 6.46 -1.37 -0.41 115.31 123.05 2oar h LEU 92 Ca 0.01 -0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 57.67 2oar h LEU 92 Cb 0.92 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 40.74 2oar h LEU 92 CO 0.07 0.34 -0.25 1.55 -0.62 0.00 0.00 178.44 179.54 2oar h PRO 93 N 0.57 0.50 -0.38 5.25 0.13 -1.75 -1.51 132.00 134.81 2oar h PRO 93 Ca 0.17 -0.29 -0.16 0.00 -0.87 0.00 0.00 66.00 64.85 2oar h PRO 93 Cb -0.04 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.11 2oar h PRO 93 CO -0.05 0.88 -0.40 -0.92 -0.23 0.00 0.00 178.00 177.27 2oar h TYR 94 N 0.16 1.13 -0.68 1.56 3.20 -1.23 0.27 116.97 121.37 2oar h TYR 94 Ca 0.02 -0.35 -0.06 0.00 3.14 0.00 0.00 58.73 61.49 2oar h TYR 94 Cb 0.82 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.82 2oar h TYR 94 CO 0.09 1.18 0.20 -0.97 -1.64 0.00 0.00 178.16 177.01 2oar h ASN 95 N 0.76 1.01 -0.38 -2.11 -1.24 -1.13 -1.46 115.58 111.04 2oar h ASN 95 Ca 0.06 -0.22 -0.12 0.00 0.71 0.00 0.00 56.30 56.72 2oar h ASN 95 Cb 1.00 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.77 2oar h ASN 95 CO 0.10 0.96 -0.23 0.74 -1.29 0.00 0.00 177.43 177.72 2oar h THR 96 N 1.01 1.27 -0.19 -3.57 2.02 -1.11 -1.65 112.91 110.69 2oar h THR 96 Ca 0.22 -1.37 -0.11 0.00 0.77 0.00 0.00 66.41 65.92 2oar h THR 96 Cb 0.33 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 2oar h THR 96 CO -0.00 0.46 -0.37 -0.07 0.37 0.00 0.00 175.52 175.91 2oar h LEU 97 N 0.76 0.43 -0.27 2.58 3.38 -0.68 0.19 115.31 121.71 2oar h LEU 97 Ca 0.10 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 2oar h LEU 97 Cb 0.77 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 2oar h LEU 97 CO 0.06 0.77 -0.35 0.03 0.09 0.00 0.00 178.44 179.05 2oar h ARG 98 N 0.35 0.71 -0.38 1.13 2.47 -1.19 0.50 114.38 117.98 2oar h ARG 98 Ca 0.04 -0.40 -0.01 0.00 -1.26 0.00 0.00 59.98 58.34 2oar h ARG 98 Cb 0.82 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.15 2oar h ARG 98 CO 0.07 1.02 0.20 0.87 0.56 0.00 0.00 179.97 182.68 2oar h LYS 99 N 0.44 0.53 0.00 0.04 1.57 -0.99 0.60 116.57 118.76 2oar h LYS 99 Ca 0.03 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2oar h LYS 99 Cb 0.93 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.14 2oar h LYS 99 CO 0.08 0.45 0.00 1.63 -0.57 0.00 0.00 179.45 181.04 2oar n LYS 100 N -4.74 0.12 -0.79 3.15 5.02 0.03 -4.84 118.16 116.12 2oar n LYS 100 Ca -0.00 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 2oar n LYS 100 Cb 0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 2oar n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2oar n GLY 101 N 0.25 0.32 0.39 0.72 0.00 0.21 -4.82 105.19 102.25 2oar n GLY 101 Ca 0.06 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.24 2oar n GLY 101 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2oar h GLU 102 N 0.90 0.46 -6.89 1.61 4.81 -0.67 -3.41 114.58 111.39 2oar h GLU 102 Ca 0.00 -0.03 -0.51 0.00 -0.13 0.00 0.00 59.36 58.70 2oar h GLU 102 Cb 0.19 -0.10 0.04 0.00 0.63 0.00 0.00 28.75 29.51 2oar h GLU 102 CO 0.00 0.30 0.50 0.08 -0.73 0.00 0.00 179.01 179.17 2oar s VAL 103 N -5.48 3.27 0.44 0.32 1.01 -1.02 -5.03 120.40 113.91 2oar s VAL 103 Ca -0.08 1.16 0.06 0.00 0.00 0.00 0.00 61.98 63.12 2oar s VAL 103 Cb 0.22 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 2oar s VAL 103 CO 0.78 0.19 0.14 -0.70 0.00 0.00 0.00 175.10 175.51 2oar s GLU 104 N -1.94 2.17 -0.29 2.72 2.56 -1.26 -4.89 118.70 117.77 2oar s GLU 104 Ca 0.51 -1.99 -0.27 0.00 0.00 0.00 0.00 54.97 53.23 2oar s GLU 104 Cb -0.32 -1.86 0.19 0.00 2.00 0.00 0.00 34.13 34.14 2oar s GLU 104 CO 0.40 -0.18 1.40 -1.14 -0.56 0.00 0.00 175.26 175.18 2oar s GLN 105 N -3.89 0.08 0.23 4.30 0.74 -1.26 -5.03 119.66 114.83 2oar s GLN 105 Ca 0.35 0.06 -0.06 0.00 0.05 0.00 0.00 55.36 55.76 2oar s GLN 105 Cb 0.04 0.04 0.35 0.00 1.10 0.00 0.00 33.01 34.55 2oar s GLN 105 CO 0.19 -0.02 1.80 -1.00 -0.55 0.00 0.00 175.29 175.72 2oar h PRO 106 N 2.74 0.71 -0.53 1.67 0.13 -2.01 -1.70 132.00 133.01 2oar h PRO 106 Ca -0.20 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 64.89 2oar h PRO 106 Cb 1.19 -0.16 -0.03 0.00 0.13 0.00 0.00 31.00 32.14 2oar h PRO 106 CO 0.20 0.47 0.35 0.78 -0.23 0.00 0.00 178.00 179.57 2oar h GLY 107 N 0.73 0.74 0.93 1.56 0.00 -1.99 -1.59 103.07 103.45 2oar h GLY 107 Ca 0.37 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 2oar h GLY 107 CO -0.24 0.27 0.11 -0.55 0.00 0.00 0.00 176.54 176.13 2oar h ASP 108 N 0.71 0.54 -0.24 0.19 5.19 -1.82 -1.36 116.42 119.62 2oar h ASP 108 Ca 0.19 -0.21 -0.03 0.00 -0.62 0.00 0.00 57.03 56.36 2oar h ASP 108 Cb -0.08 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.27 2oar h ASP 108 CO -0.04 0.61 0.07 0.71 -3.12 0.00 0.00 179.24 177.47 2oar h THR 109 N 0.45 1.16 -0.52 0.35 1.35 -1.16 -1.26 112.91 113.28 2oar h THR 109 Ca 0.12 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 2oar h THR 109 Cb 0.26 0.84 -0.03 0.00 -1.73 0.00 0.00 68.15 67.50 2oar h THR 109 CO -0.00 0.20 0.34 1.56 -0.25 0.00 0.00 175.52 177.36 2oar h GLN 110 N 0.46 0.69 -0.64 4.72 4.20 -0.64 -1.52 115.11 122.39 2oar h GLN 110 Ca 0.11 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2oar h GLN 110 Cb 0.19 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 2oar h GLN 110 CO -0.00 0.47 0.41 0.28 -0.67 0.00 0.00 178.83 179.32 2oar h VAL 111 N 0.71 1.18 -0.42 -0.54 2.07 -0.24 0.41 116.25 119.41 2oar h VAL 111 Ca 0.19 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.37 2oar h VAL 111 Cb -0.06 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 29.94 2oar h VAL 111 CO -0.04 0.17 0.25 0.58 0.02 0.00 0.00 177.57 178.56 2oar h VAL 112 N 0.87 1.06 -0.44 2.57 2.07 -0.89 0.39 116.25 121.88 2oar h VAL 112 Ca 0.23 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.52 2oar h VAL 112 Cb -0.07 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 2oar h VAL 112 CO -0.05 0.09 0.04 -0.07 0.02 0.00 0.00 177.57 177.61 2oar h LEU 113 N 0.51 0.72 -1.25 2.57 3.38 -0.80 0.24 115.31 120.68 2oar h LEU 113 Ca 0.16 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2oar h LEU 113 Cb -0.00 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 2oar h LEU 113 CO -0.07 0.82 0.48 -0.07 0.09 0.00 0.00 178.44 179.69 2oar h LEU 114 N 0.60 0.86 -0.22 1.67 -0.00 0.56 0.25 115.31 119.03 2oar h LEU 114 Ca 0.13 -0.03 -0.06 0.00 -0.00 0.00 0.00 57.88 57.92 2oar h LEU 114 Cb 0.42 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.86 2oar h LEU 114 CO 0.01 0.64 -0.10 0.74 -0.00 0.00 0.00 178.44 179.73 2oar h THR 115 N 1.01 1.30 -0.70 0.22 2.02 0.85 0.20 112.91 117.81 2oar h THR 115 Ca 0.27 -1.17 0.01 0.00 0.77 0.00 0.00 66.41 66.29 2oar h THR 115 Cb -0.09 1.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 2oar h THR 115 CO -0.06 0.36 0.46 -0.33 0.37 0.00 0.00 175.52 176.32 2oar h GLU 116 N 0.16 0.91 -0.72 6.66 5.08 -0.07 0.41 114.58 127.00 2oar h GLU 116 Ca 0.05 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2oar h GLU 116 Cb 0.60 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 2oar h GLU 116 CO 0.03 0.60 0.47 0.82 -1.00 0.00 0.00 179.01 179.93 2oar h ILE 117 N 0.93 1.15 -0.45 3.13 1.08 -0.66 0.46 117.51 123.16 2oar h ILE 117 Ca 0.26 -0.32 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 2oar h ILE 117 Cb -0.09 0.12 -0.02 0.00 -3.07 0.00 0.00 36.82 33.76 2oar h ILE 117 CO -0.06 0.17 0.29 -0.09 -0.69 0.00 0.00 178.15 177.77 2oar h ARG 118 N 0.95 0.60 -0.57 2.37 2.43 0.11 0.30 114.38 120.56 2oar h ARG 118 Ca 0.27 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 2oar h ARG 118 Cb -0.06 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.33 2oar h ARG 118 CO -0.08 0.41 0.30 -0.44 -1.51 0.00 0.00 179.97 178.65 2oar h ASP 119 N 0.61 0.72 -0.33 -3.80 3.45 0.17 -1.52 116.42 115.72 2oar h ASP 119 Ca 0.16 -0.11 -0.13 0.00 0.43 0.00 0.00 57.03 57.38 2oar h ASP 119 Cb -0.05 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.53 2oar h ASP 119 CO -0.03 0.63 -0.31 -0.07 -1.57 0.00 0.00 179.24 177.88 2oar h LEU 120 N 0.77 0.85 -1.56 1.55 3.38 0.25 -1.48 115.31 119.07 2oar h LEU 120 Ca 0.20 -0.46 0.02 0.00 0.09 0.00 0.00 57.88 57.72 2oar h LEU 120 Cb 0.07 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2oar h LEU 120 CO -0.03 1.14 0.31 0.25 0.09 0.00 0.00 178.44 180.20 2oar h LEU 121 N 0.57 0.50 -0.90 1.67 5.85 -0.80 0.21 115.31 122.41 2oar h LEU 121 Ca 0.06 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 2oar h LEU 121 Cb 0.89 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 2oar h LEU 121 CO 0.08 0.36 -0.32 0.00 -0.34 0.00 0.00 178.44 178.22 2oar h ALA 122 N 1.72 1.07 -0.15 1.25 0.00 -0.80 -2.95 119.26 119.39 2oar h ALA 122 Ca 0.18 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 2oar h ALA 122 Cb 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2oar h ALA 122 CO -0.04 0.58 -0.47 1.96 0.00 0.00 0.00 179.25 181.28 2oar h GLN 123 N 0.37 0.39 0.00 0.00 1.08 0.41 -2.61 115.11 114.74 2oar h GLN 123 Ca 0.05 -0.21 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 2oar h GLN 123 Cb 0.74 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.18 2oar h GLN 123 CO 0.06 0.78 0.02 1.15 -0.95 0.00 0.00 178.83 179.88 2oar h THR 124 N 0.31 0.00 -0.02 -0.54 2.02 -1.10 -3.51 112.91 110.07 2oar h THR 124 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.20 2oar h THR 124 Cb 0.94 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 2oar h THR 124 CO 0.08 0.00 0.00 0.59 0.37 0.00 0.00 175.52 176.56