#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pop s PRO 2 N 0.00 0.04 0.09 6.28 0.02 -1.26 -4.97 135.00 135.21 1pop s PRO 2 Ca 0.00 0.65 -0.14 0.00 0.02 0.00 0.00 61.00 61.53 1pop s PRO 2 Cb 0.00 -1.68 -0.14 0.00 0.02 0.00 0.00 34.50 32.70 1pop s PRO 2 CO 0.00 -3.03 1.33 1.49 -0.33 0.00 0.00 177.00 176.46 1pop h GLU 3 N -2.11 0.74 -5.57 5.54 4.81 -1.99 -3.44 114.58 112.57 1pop h GLU 3 Ca -0.56 -0.54 -0.63 0.00 -0.13 0.00 0.00 59.36 57.49 1pop h GLU 3 Cb 1.33 0.09 -0.32 0.00 0.63 0.00 0.00 28.75 30.48 1pop h GLU 3 CO 0.55 1.16 -0.86 0.71 -0.73 0.00 0.00 179.01 179.83 1pop s TYR 4 N -3.92 2.15 -0.03 0.92 1.51 -1.26 -3.99 117.35 112.73 1pop s TYR 4 Ca -0.11 -0.69 0.05 0.00 -1.01 0.00 0.00 57.07 55.30 1pop s TYR 4 Cb 0.08 -1.43 -0.01 0.00 -0.11 0.00 0.00 41.96 40.49 1pop s TYR 4 CO 0.87 -0.24 -0.17 0.08 -1.11 0.00 0.00 175.55 174.99 1pop s VAL 5 N 0.04 1.40 -0.26 0.71 1.01 -0.63 -4.96 120.40 117.70 1pop s VAL 5 Ca -0.07 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 1pop s VAL 5 Cb -0.14 -1.19 0.14 0.00 0.00 0.00 0.00 36.38 35.19 1pop s VAL 5 CO 0.04 0.40 0.34 -0.62 0.00 0.00 0.00 175.10 175.27 1pop s ASP 6 N -0.08 0.80 0.39 3.32 -1.08 -1.26 -0.98 116.67 117.78 1pop s ASP 6 Ca -0.01 -0.25 0.28 0.00 -0.52 0.00 0.00 52.55 52.06 1pop s ASP 6 Cb -0.10 0.86 1.24 0.00 -1.46 0.00 0.00 42.92 43.46 1pop s ASP 6 CO 0.01 -0.34 1.85 -0.50 0.52 0.00 0.00 175.17 176.71 1pop h TRP 7 N 8.21 0.00 -0.44 -5.34 4.06 -1.58 -1.82 115.95 119.04 1pop h TRP 7 Ca -0.15 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.68 1pop h TRP 7 Cb 1.12 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.27 1pop h TRP 7 CO 0.20 0.00 -0.20 0.00 -3.56 0.00 0.00 178.44 174.88 1pop h ARG 8 N 0.00 0.88 0.00 0.49 3.08 -1.91 -2.06 114.38 114.87 1pop h ARG 8 Ca 0.00 -0.36 -0.07 0.00 0.07 0.00 0.00 59.98 59.63 1pop h ARG 8 Cb 0.35 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1pop h ARG 8 CO 0.00 1.00 -0.31 1.96 -1.07 0.00 0.00 179.97 181.55 1pop h GLN 9 N 0.77 0.00 -0.13 0.04 4.20 -1.73 -1.29 115.11 116.97 1pop h GLN 9 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1pop h GLN 9 Cb 0.74 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.52 1pop h GLN 9 CO 0.06 0.31 0.00 1.63 -0.67 0.00 0.00 178.83 180.16 1pop n LYS 10 N -3.79 1.57 -1.57 1.46 5.02 -1.08 -4.94 118.16 114.83 1pop n LYS 10 Ca -0.01 -0.85 -0.04 0.00 -2.02 0.00 0.00 58.31 55.38 1pop n LYS 10 Cb 0.40 -1.37 -0.01 0.00 -0.02 0.00 0.00 35.03 34.03 1pop n LYS 10 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pop n GLY 11 N 1.05 0.47 0.58 0.72 0.00 -0.49 -4.94 105.19 102.58 1pop n GLY 11 Ca 0.15 -0.79 0.05 0.00 0.00 0.00 0.00 46.02 45.43 1pop n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pop n ALA 12 N 0.01 2.19 -3.20 4.61 0.00 -0.80 -4.87 120.51 118.46 1pop n ALA 12 Ca -0.05 -1.09 -0.31 0.00 0.00 0.00 0.00 53.44 51.99 1pop n ALA 12 Cb 0.33 -0.40 -0.17 0.00 0.00 0.00 0.00 19.45 19.21 1pop n ALA 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pop s VAL 13 N -0.99 1.94 0.75 0.00 1.01 -1.25 -4.07 120.40 117.78 1pop s VAL 13 Ca 0.21 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 61.16 1pop s VAL 13 Cb 0.11 -1.68 0.09 0.00 0.00 0.00 0.00 36.38 34.91 1pop s VAL 13 CO 0.14 0.53 1.06 0.42 0.00 0.00 0.00 175.10 177.26 1pop s THR 14 N 0.33 2.21 0.81 3.92 -4.23 -1.26 -4.90 115.64 112.51 1pop s THR 14 Ca -0.17 -0.28 -0.14 0.00 -1.18 0.00 0.00 61.69 59.92 1pop s THR 14 Cb -0.17 -2.93 0.01 0.00 1.34 0.00 0.00 72.50 70.75 1pop s THR 14 CO 0.08 0.00 0.65 -2.65 -0.54 0.00 0.00 174.62 172.15 1pop n PRO 15 N -3.04 0.10 -2.54 3.99 -0.02 -1.26 -4.95 135.00 127.28 1pop n PRO 15 Ca 0.10 0.09 -0.40 0.00 -2.02 0.00 0.00 63.50 61.27 1pop n PRO 15 Cb 0.60 -1.98 -0.05 0.00 -0.02 0.00 0.00 33.50 32.06 1pop n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pop s VAL 16 N -2.10 3.63 0.33 -1.45 1.01 -1.26 -5.04 120.40 115.52 1pop s VAL 16 Ca 0.65 1.57 0.09 0.00 0.00 0.00 0.00 61.98 64.29 1pop s VAL 16 Cb -0.29 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 1pop s VAL 16 CO 0.59 0.32 0.05 -0.54 0.00 0.00 0.00 175.10 175.53 1pop s LYS 17 N -1.59 2.22 -0.12 2.72 -0.14 -1.26 -4.82 119.74 116.74 1pop s LYS 17 Ca 0.46 -1.62 0.01 0.00 -1.36 0.00 0.00 55.97 53.46 1pop s LYS 17 Cb -0.29 -2.06 0.02 0.00 -1.68 0.00 0.00 37.83 33.82 1pop s LYS 17 CO 0.37 0.17 -0.13 1.21 -0.76 0.00 0.00 175.35 176.21 1pop s ASN 18 N -3.75 2.44 0.38 2.83 3.84 -1.26 -1.36 114.94 118.06 1pop s ASN 18 Ca 0.35 -0.41 0.26 0.00 0.21 0.00 0.00 52.86 53.27 1pop s ASN 18 Cb -0.02 -1.05 0.71 0.00 -0.55 0.00 0.00 41.25 40.34 1pop s ASN 18 CO 0.21 -0.05 1.73 0.06 -2.79 0.00 0.00 177.10 176.26 1pop h GLN 19 N 7.84 0.00 0.00 0.43 3.07 -1.50 -3.47 115.11 121.48 1pop h GLN 19 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.40 1pop h GLN 19 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.71 1pop h GLN 19 CO 0.48 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.81 1pop n GLY 20 N 0.86 -0.26 0.27 0.06 0.00 -1.26 -3.85 105.19 101.01 1pop n GLY 20 Ca 0.04 -1.04 0.15 0.00 0.00 0.00 0.00 46.02 45.17 1pop n GLY 20 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1pop h SER 21 N 5.57 0.00 -3.09 1.61 0.02 -1.96 -3.45 113.55 112.25 1pop h SER 21 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1pop h SER 21 Cb 0.00 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.56 1pop h SER 21 CO 0.00 0.09 0.68 0.00 -1.14 0.00 0.00 176.83 176.45 1pop n GLY 23 N 3.29 4.51 1.56 0.00 0.00 -0.07 -4.61 105.19 109.86 1pop n GLY 23 Ca 0.10 -1.70 0.08 0.00 0.00 0.00 0.00 46.02 44.50 1pop n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pop n SER 24 N 4.92 4.96 0.02 1.61 3.41 -1.26 -3.17 113.62 124.11 1pop n SER 24 Ca 0.55 -2.74 0.14 0.00 -0.26 0.00 0.00 58.87 56.57 1pop n SER 24 Cb 0.35 -0.60 0.60 0.00 -0.26 0.00 0.00 64.21 64.29 1pop n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pop h TRP 26 N 0.18 1.05 -0.02 0.00 5.08 -1.85 0.15 115.95 120.53 1pop h TRP 26 Ca 0.21 0.02 -0.09 0.00 1.08 0.00 0.00 58.89 60.12 1pop h TRP 26 Cb 0.61 -0.35 0.01 0.00 -3.00 0.00 0.00 29.16 26.42 1pop h TRP 26 CO -0.00 0.66 -0.32 0.00 -1.28 0.00 0.00 178.44 177.50 1pop h ALA 27 N 1.47 0.07 -0.86 0.11 0.00 -1.35 -2.41 119.26 116.29 1pop h ALA 27 Ca 0.30 -0.47 0.07 0.00 0.00 0.00 0.00 54.91 54.81 1pop h ALA 27 Cb -0.12 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 1pop h ALA 27 CO -0.06 0.15 0.53 0.74 0.00 0.00 0.00 179.25 180.61 1pop h PHE 28 N -0.32 0.98 0.01 0.00 -1.00 -1.13 -1.45 116.94 114.04 1pop h PHE 28 Ca -0.03 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.77 1pop h PHE 28 Cb 1.03 -0.32 0.00 0.00 3.61 0.00 0.00 35.95 40.27 1pop h PHE 28 CO 0.15 0.49 -0.00 1.03 -1.61 0.00 0.00 178.31 178.37 1pop h SER 29 N 0.96 -0.01 -0.39 2.17 0.87 -0.72 -2.69 113.55 113.74 1pop h SER 29 Ca 0.38 -0.18 0.04 0.00 -1.23 0.00 0.00 61.79 60.80 1pop h SER 29 Cb 0.20 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.13 1pop h SER 29 CO -0.18 0.17 0.18 0.00 -0.53 0.00 0.00 176.83 176.46 1pop h ALA 30 N 0.80 0.48 -0.61 6.23 0.00 -1.07 -3.03 119.26 122.07 1pop h ALA 30 Ca -0.00 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1pop h ALA 30 Cb 0.19 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 1pop h ALA 30 CO 0.00 -0.20 0.30 0.28 0.00 0.00 0.00 179.25 179.64 1pop h VAL 31 N 0.36 0.91 0.00 0.00 2.07 -1.12 -1.15 116.25 117.33 1pop h VAL 31 Ca 0.17 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 1pop h VAL 31 Cb 0.11 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1pop h VAL 31 CO -0.14 0.10 -0.22 1.62 0.02 0.00 0.00 177.57 178.95 1pop h VAL 32 N 0.56 0.92 -0.04 2.57 3.04 -1.36 0.91 116.25 122.85 1pop h VAL 32 Ca 0.28 -0.84 -0.21 0.00 -1.01 0.00 0.00 66.70 64.92 1pop h VAL 32 Cb 0.22 1.49 -0.00 0.00 -2.01 0.00 0.00 31.29 30.99 1pop h VAL 32 CO -0.21 0.22 -0.85 0.71 -1.01 0.00 0.00 177.57 176.44 1pop h THR 33 N 0.00 1.39 -0.05 3.17 1.35 -1.18 -2.20 112.91 115.40 1pop h THR 33 Ca -0.00 -2.32 -0.00 0.00 -0.55 0.00 0.00 66.41 63.54 1pop h THR 33 Cb 0.47 2.28 -0.00 0.00 -1.73 0.00 0.00 68.15 69.17 1pop h THR 33 CO 0.03 0.69 0.02 0.40 -0.25 0.00 0.00 175.52 176.41 1pop h ILE 34 N 0.25 1.15 -0.89 6.82 2.04 -0.78 0.29 117.51 126.40 1pop h ILE 34 Ca -0.06 -0.45 0.12 0.00 1.00 0.00 0.00 64.86 65.47 1pop h ILE 34 Cb 1.46 1.37 -0.07 0.00 -0.74 0.00 0.00 36.82 38.84 1pop h ILE 34 CO 0.15 0.13 0.57 -0.33 0.00 0.00 0.00 178.15 178.66 1pop h GLU 35 N -0.10 0.77 -0.03 2.37 5.08 -0.79 -1.73 114.58 120.16 1pop h GLU 35 Ca 0.02 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1pop h GLU 35 Cb 0.19 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1pop h GLU 35 CO -0.00 0.51 -0.22 0.78 -1.00 0.00 0.00 179.01 179.08 1pop h GLY 36 N 0.79 0.22 1.54 -3.84 0.00 -0.91 -2.93 103.07 97.95 1pop h GLY 36 Ca 0.43 -0.33 -0.09 0.00 0.00 0.00 0.00 47.33 47.34 1pop h GLY 36 CO -0.19 0.29 -0.20 1.19 0.00 0.00 0.00 176.54 177.63 1pop h ILE 37 N -0.40 1.26 -0.49 2.60 6.09 -0.65 -2.06 117.51 123.85 1pop h ILE 37 Ca -0.02 -1.20 -0.01 0.00 -1.37 0.00 0.00 64.86 62.26 1pop h ILE 37 Cb 0.91 1.26 -0.02 0.00 0.47 0.00 0.00 36.82 39.44 1pop h ILE 37 CO 0.04 0.39 0.27 0.40 -3.07 0.00 0.00 178.15 176.19 1pop h ILE 38 N 0.48 1.17 -0.50 2.19 1.08 -1.39 -0.92 117.51 119.63 1pop h ILE 38 Ca 0.08 -0.42 0.03 0.00 -0.39 0.00 0.00 64.86 64.15 1pop h ILE 38 Cb 0.62 0.55 -0.03 0.00 -3.07 0.00 0.00 36.82 34.89 1pop h ILE 38 CO 0.04 0.18 0.29 0.50 -0.69 0.00 0.00 178.15 178.47 1pop h LYS 39 N 0.66 0.56 -0.60 2.37 1.63 -1.27 -0.01 116.57 119.90 1pop h LYS 39 Ca 0.17 -0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 59.87 1pop h LYS 39 Cb 0.04 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.52 1pop h LYS 39 CO -0.03 0.37 0.11 0.82 -3.45 0.00 0.00 179.45 177.27 1pop h ILE 40 N 0.57 1.26 0.04 2.00 2.04 -0.94 0.62 117.51 123.10 1pop h ILE 40 Ca 0.20 -0.97 -0.26 0.00 1.00 0.00 0.00 64.86 64.83 1pop h ILE 40 Cb 0.04 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 1pop h ILE 40 CO -0.10 0.36 -1.30 0.03 0.00 0.00 0.00 178.15 177.14 1pop h ARG 41 N 0.89 0.09 0.00 2.37 2.47 -0.99 -3.40 114.38 115.81 1pop h ARG 41 Ca 0.18 -0.15 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1pop h ARG 41 Cb 0.41 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 1pop h ARG 41 CO 0.01 0.94 -0.52 0.25 0.56 0.00 0.00 179.97 181.21 1pop n THR 42 N -3.33 0.00 -0.88 2.04 -2.24 -0.04 -5.01 114.28 104.83 1pop n THR 42 Ca -0.08 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1pop n THR 42 Cb 1.00 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 70.00 1pop n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pop n GLY 43 N 1.60 0.77 3.59 3.38 0.00 0.21 -5.03 105.19 109.71 1pop n GLY 43 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1pop n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pop s ASN 44 N -2.56 5.67 -0.30 1.61 -0.87 -1.26 -4.94 114.94 112.29 1pop s ASN 44 Ca 0.00 0.00 -0.16 0.00 -1.57 0.00 0.00 52.86 51.13 1pop s ASN 44 Cb 0.00 -2.01 -0.02 0.00 -0.02 0.00 0.00 41.25 39.20 1pop s ASN 44 CO 0.00 0.06 0.40 -0.22 -2.57 0.00 0.00 177.10 174.78 1pop s LEU 45 N 1.04 4.19 0.06 0.60 2.96 -1.26 -3.22 118.68 123.06 1pop s LEU 45 Ca 0.05 0.12 0.01 0.00 -0.22 0.00 0.00 54.13 54.10 1pop s LEU 45 Cb -0.14 -2.45 -0.03 0.00 0.50 0.00 0.00 46.19 44.07 1pop s LEU 45 CO 0.04 -0.28 -0.06 0.20 -1.32 0.00 0.00 176.35 174.92 1pop s ASN 46 N 1.68 0.84 -0.15 3.68 0.02 -1.26 -5.09 114.94 114.66 1pop s ASN 46 Ca 0.15 -0.76 -0.10 0.00 -1.02 0.00 0.00 52.86 51.13 1pop s ASN 46 Cb -0.16 0.08 -0.05 0.00 0.02 0.00 0.00 41.25 41.15 1pop s ASN 46 CO 0.11 -0.36 0.18 -1.10 0.02 0.00 0.00 177.10 175.95 1pop s GLN 47 N -2.65 3.90 0.37 -0.60 -0.21 -1.26 -4.74 119.66 114.46 1pop s GLN 47 Ca -0.01 -0.09 0.08 0.00 0.02 0.00 0.00 55.36 55.37 1pop s GLN 47 Cb -0.02 -3.32 -0.05 0.00 1.00 0.00 0.00 33.01 30.62 1pop s GLN 47 CO -0.03 0.50 0.14 0.71 -2.12 0.00 0.00 175.29 174.49 1pop s TYR 48 N -0.26 2.63 -0.36 0.91 2.02 -1.26 -1.14 117.35 119.89 1pop s TYR 48 Ca 0.13 -0.49 -0.21 0.00 -0.37 0.00 0.00 57.07 56.14 1pop s TYR 48 Cb -0.12 -1.76 0.00 0.00 -0.40 0.00 0.00 41.96 39.68 1pop s TYR 48 CO 0.02 0.29 0.66 0.45 -1.57 0.00 0.00 175.55 175.40 1pop s SER 49 N -3.85 6.45 0.13 2.29 0.15 -0.95 -4.21 113.70 113.70 1pop s SER 49 Ca 0.39 0.17 -0.11 0.00 0.70 0.00 0.00 55.95 57.10 1pop s SER 49 Cb 0.01 -2.34 -0.08 0.00 -1.71 0.00 0.00 66.02 61.90 1pop s SER 49 CO 0.22 -0.62 1.39 -0.33 1.20 0.00 0.00 173.24 175.10 1pop h GLU 50 N 8.47 0.82 -0.94 5.44 3.07 -1.89 -3.16 114.58 126.39 1pop h GLU 50 Ca -0.26 -0.56 0.12 0.00 -0.50 0.00 0.00 59.36 58.17 1pop h GLU 50 Cb 1.11 0.08 -0.09 0.00 -0.84 0.00 0.00 28.75 29.01 1pop h GLU 50 CO 0.85 1.18 0.56 0.37 -1.40 0.00 0.00 179.01 180.58 1pop h GLN 51 N 0.61 0.85 -0.68 2.33 5.75 -1.85 -0.03 115.11 122.09 1pop h GLN 51 Ca -0.00 -0.05 -0.05 0.00 -0.15 0.00 0.00 58.65 58.40 1pop h GLN 51 Cb 1.22 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 29.55 1pop h GLN 51 CO 0.13 0.56 0.23 1.49 -2.65 0.00 0.00 178.83 178.60 1pop h GLU 52 N 0.87 1.02 -0.29 1.69 4.81 -1.78 -0.41 114.58 120.49 1pop h GLU 52 Ca 0.48 -0.19 -0.18 0.00 -0.13 0.00 0.00 59.36 59.34 1pop h GLU 52 Cb 0.52 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 1pop h GLU 52 CO -0.29 0.86 -0.51 -0.07 -0.73 0.00 0.00 179.01 178.27 1pop h LEU 53 N 0.99 0.91 -0.68 1.64 3.38 -1.21 -0.01 115.31 120.34 1pop h LEU 53 Ca 0.22 -0.47 0.06 0.00 0.09 0.00 0.00 57.88 57.78 1pop h LEU 53 Cb 0.25 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 1pop h LEU 53 CO -0.01 1.25 0.38 0.25 0.09 0.00 0.00 178.44 180.40 1pop h LEU 54 N 0.64 0.56 0.14 1.67 6.46 -0.60 -1.38 115.31 122.81 1pop h LEU 54 Ca 0.02 0.03 -0.31 0.00 -0.12 0.00 0.00 57.88 57.51 1pop h LEU 54 Cb 1.10 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.96 1pop h LEU 54 CO 0.11 0.36 -1.51 0.44 -0.62 0.00 0.00 178.44 177.22 1pop h ASP 55 N 0.70 0.47 0.21 1.25 3.32 -1.00 -3.41 116.42 117.96 1pop h ASP 55 Ca 0.31 -0.61 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1pop h ASP 55 Cb 0.20 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1pop h ASP 55 CO -0.19 1.50 -1.57 0.00 -1.72 0.00 0.00 179.24 177.27 1pop s ASP 57 N -4.35 6.21 -0.00 0.00 -1.08 -0.53 -4.85 116.67 112.07 1pop s ASP 57 Ca -0.03 -0.64 0.07 0.00 -0.52 0.00 0.00 52.55 51.43 1pop s ASP 57 Cb 0.14 -2.56 0.20 0.00 -1.46 0.00 0.00 42.92 39.23 1pop s ASP 57 CO 0.87 -1.79 1.15 0.54 0.52 0.00 0.00 175.17 176.46 1pop n ARG 58 N 9.27 1.54 0.02 4.34 5.12 -1.26 -2.75 116.66 132.94 1pop n ARG 58 Ca 0.10 -0.80 -0.01 0.00 -1.93 0.00 0.00 57.85 55.20 1pop n ARG 58 Cb 0.49 -1.20 -0.10 0.00 -1.16 0.00 0.00 32.46 30.50 1pop n ARG 58 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1pop n ARG 59 N 0.15 0.63 -2.12 5.56 1.74 -1.26 -4.92 116.66 116.43 1pop n ARG 59 Ca 0.07 0.21 -0.27 0.00 -0.77 0.00 0.00 57.85 57.09 1pop n ARG 59 Cb 0.20 -1.78 0.07 0.00 -1.02 0.00 0.00 32.46 29.93 1pop n ARG 59 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1pop s SER 60 N -5.77 4.88 -0.45 0.55 0.01 -1.11 -4.87 113.70 106.93 1pop s SER 60 Ca -0.04 0.62 0.04 0.00 1.31 0.00 0.00 55.95 57.88 1pop s SER 60 Cb 0.09 -1.29 0.44 0.00 0.21 0.00 0.00 66.02 65.47 1pop s SER 60 CO 0.82 -1.59 1.45 -1.22 0.41 0.00 0.00 173.24 173.10 1pop n TYR 61 N -2.99 3.01 -0.91 2.43 4.02 0.46 -4.99 117.16 118.18 1pop n TYR 61 Ca 0.07 -2.59 0.00 0.00 -0.01 0.00 0.00 57.90 55.38 1pop n TYR 61 Cb 0.60 -0.63 0.00 0.00 -0.02 0.00 0.00 39.34 39.29 1pop n TYR 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pop n GLY 62 N -0.70 3.19 0.00 2.72 0.00 -1.24 -0.64 105.19 108.52 1pop n GLY 62 Ca 0.48 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 46.43 1pop n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pop n ASN 64 N -1.28 1.54 0.00 0.00 5.03 0.18 -0.89 115.26 119.84 1pop n ASN 64 Ca 0.06 -1.38 0.00 0.00 0.87 0.00 0.00 54.58 54.12 1pop n ASN 64 Cb 0.09 0.05 0.00 0.00 -1.02 0.00 0.00 39.78 38.91 1pop n ASN 64 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1pop n GLY 65 N 1.25 3.00 0.00 7.41 0.00 -1.00 -4.94 105.19 110.91 1pop n GLY 65 Ca 0.16 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.18 1pop n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pop n GLY 66 N -1.18 1.30 3.06 -0.02 0.00 -1.26 -0.41 105.19 106.70 1pop n GLY 66 Ca 0.00 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 1pop n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pop s TYR 67 N -2.67 2.36 0.21 1.61 2.02 -1.26 -4.86 117.35 114.76 1pop s TYR 67 Ca 0.00 -1.32 -0.09 0.00 -0.37 0.00 0.00 57.07 55.28 1pop s TYR 67 Cb 0.00 -1.69 0.27 0.00 -0.40 0.00 0.00 41.96 40.14 1pop s TYR 67 CO 0.00 -0.68 1.76 -1.35 -1.57 0.00 0.00 175.55 173.71 1pop h PRO 68 N 7.89 0.48 -0.52 -1.71 0.11 -1.97 -2.43 132.00 133.85 1pop h PRO 68 Ca -0.39 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.63 1pop h PRO 68 Cb 1.15 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1pop h PRO 68 CO 0.56 0.32 0.07 0.11 -0.21 0.00 0.00 178.00 178.85 1pop h TRP 69 N 0.49 0.87 -0.36 0.65 5.08 -1.95 -1.74 115.95 118.99 1pop h TRP 69 Ca 0.30 -0.10 -0.13 0.00 1.08 0.00 0.00 58.89 60.05 1pop h TRP 69 Cb 0.32 -0.25 -0.01 0.00 -3.00 0.00 0.00 29.16 26.22 1pop h TRP 69 CO -0.13 0.76 -0.29 0.77 -1.28 0.00 0.00 178.44 178.27 1pop h SER 70 N 0.79 0.78 -0.53 0.11 0.02 -1.88 -0.39 113.55 112.45 1pop h SER 70 Ca 0.16 -0.31 -0.07 0.00 -0.84 0.00 0.00 61.79 60.74 1pop h SER 70 Cb 0.37 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1pop h SER 70 CO 0.01 1.02 0.09 0.00 -1.14 0.00 0.00 176.83 176.81 1pop h ALA 71 N 1.03 1.06 -0.26 3.77 0.00 -1.18 -0.72 119.26 122.96 1pop h ALA 71 Ca 0.08 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 1pop h ALA 71 Cb 0.81 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1pop h ALA 71 CO 0.07 0.60 -0.47 -0.07 0.00 0.00 0.00 179.25 179.38 1pop h LEU 72 N 0.88 0.75 -0.53 0.00 3.38 -1.04 -2.41 115.31 116.34 1pop h LEU 72 Ca 0.18 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 1pop h LEU 72 Cb 0.40 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1pop h LEU 72 CO 0.01 1.10 0.00 -0.61 0.09 0.00 0.00 178.44 179.04 1pop h GLN 73 N 0.55 0.94 -0.65 1.13 4.15 -0.69 -2.60 115.11 117.93 1pop h GLN 73 Ca 0.03 -0.30 0.08 0.00 0.77 0.00 0.00 58.65 59.23 1pop h GLN 73 Cb 1.03 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 28.56 1pop h GLN 73 CO 0.10 0.95 0.31 1.25 -1.93 0.00 0.00 178.83 179.51 1pop h LEU 74 N 0.81 0.40 -1.59 -2.39 7.12 -1.02 0.12 115.31 118.77 1pop h LEU 74 Ca 0.15 0.06 -0.02 0.00 0.13 0.00 0.00 57.88 58.20 1pop h LEU 74 Cb 0.53 -0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 40.64 1pop h LEU 74 CO 0.03 0.24 -0.10 0.58 -0.13 0.00 0.00 178.44 179.06 1pop h VAL 75 N 0.55 0.31 0.08 1.05 2.07 -1.06 -0.07 116.25 119.17 1pop h VAL 75 Ca 0.31 -0.67 -0.29 0.00 0.82 0.00 0.00 66.70 66.87 1pop h VAL 75 Cb 0.31 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1pop h VAL 75 CO -0.25 0.10 -1.52 0.00 0.02 0.00 0.00 177.57 175.92 1pop h ALA 76 N 1.90 0.39 0.04 1.67 0.00 -0.88 -2.78 119.26 119.61 1pop h ALA 76 Ca -0.00 -1.17 -0.23 0.00 0.00 0.00 0.00 54.91 53.51 1pop h ALA 76 Cb 0.50 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1pop h ALA 76 CO 0.01 1.26 -1.02 1.96 0.00 0.00 0.00 179.25 181.46 1pop h GLN 77 N 0.04 0.28 0.00 0.00 4.20 -0.46 -3.43 115.11 115.75 1pop h GLN 77 Ca -0.23 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.13 1pop h GLN 77 Cb 1.98 0.11 0.00 0.00 0.30 0.00 0.00 27.48 29.87 1pop h GLN 77 CO 0.14 1.09 -0.22 0.66 -0.67 0.00 0.00 178.83 179.82 1pop n TYR 78 N -3.63 -0.57 0.00 2.96 4.01 -0.07 -5.09 117.16 114.77 1pop n TYR 78 Ca -0.06 0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1pop n TYR 78 Cb 0.89 0.18 0.00 0.00 -0.31 0.00 0.00 39.34 40.10 1pop n TYR 78 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pop n GLY 79 N 2.76 0.79 3.31 2.72 0.00 -1.06 -4.90 105.19 108.82 1pop n GLY 79 Ca 0.00 -2.02 -0.13 0.00 0.00 0.00 0.00 46.02 43.87 1pop n GLY 79 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pop s ILE 80 N -1.53 0.06 0.32 -0.61 2.07 -0.41 -4.49 121.20 116.61 1pop s ILE 80 Ca 0.00 -0.46 0.04 0.00 -1.41 0.00 0.00 60.65 58.82 1pop s ILE 80 Cb 0.00 -0.88 -0.02 0.00 0.13 0.00 0.00 42.46 41.69 1pop s ILE 80 CO 0.00 -0.26 0.47 -1.00 -1.91 0.00 0.00 174.94 172.25 1pop s HIS 81 N -2.14 3.33 0.59 3.50 3.76 -1.26 -0.36 115.29 122.70 1pop s HIS 81 Ca -0.07 0.02 -0.18 0.00 -0.15 0.00 0.00 55.06 54.68 1pop s HIS 81 Cb -0.02 -1.87 -0.04 0.00 1.11 0.00 0.00 32.58 31.77 1pop s HIS 81 CO -0.00 0.13 1.18 0.71 -0.85 0.00 0.00 174.74 175.90 1pop s TYR 82 N -2.18 2.48 0.37 1.40 2.02 -1.26 -2.25 117.35 117.92 1pop s TYR 82 Ca 0.40 1.53 0.05 0.00 -0.37 0.00 0.00 57.07 58.68 1pop s TYR 82 Cb -0.09 -3.40 0.71 0.00 -0.40 0.00 0.00 41.96 38.78 1pop s TYR 82 CO 0.32 -2.00 1.99 -0.09 -1.57 0.00 0.00 175.55 174.20 1pop h ARG 83 N 0.85 0.63 -0.86 -0.62 2.43 -1.30 -1.47 114.38 114.04 1pop h ARG 83 Ca -0.50 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 58.58 1pop h ARG 83 Cb 1.28 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.67 1pop h ARG 83 CO 0.55 0.48 0.44 -0.97 -1.51 0.00 0.00 179.97 178.96 1pop h ASN 84 N 0.63 1.11 1.56 -3.80 -1.24 -1.91 -1.81 115.58 110.13 1pop h ASN 84 Ca 0.16 -0.12 -0.01 0.00 0.71 0.00 0.00 56.30 57.04 1pop h ASN 84 Cb 0.05 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 38.81 1pop h ASN 84 CO -0.02 0.92 -0.44 0.71 -1.29 0.00 0.00 177.43 177.30 1pop h THR 85 N 1.22 0.06 -2.10 -3.57 1.35 -1.66 -3.38 112.91 104.84 1pop h THR 85 Ca 0.30 -1.10 -0.57 0.00 -0.55 0.00 0.00 66.41 64.49 1pop h THR 85 Cb 0.08 1.84 -0.39 0.00 -1.73 0.00 0.00 68.15 67.95 1pop h THR 85 CO -0.04 0.04 -1.03 0.00 -0.25 0.00 0.00 175.52 174.24 1pop n TYR 86 N -2.95 0.00 -0.98 4.73 4.19 -0.87 -5.01 117.16 116.27 1pop n TYR 86 Ca 0.02 -3.59 -0.31 0.00 3.31 0.00 0.00 57.90 57.33 1pop n TYR 86 Cb 0.56 -0.28 0.14 0.00 0.49 0.00 0.00 39.34 40.25 1pop n TYR 86 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 1pop s PRO 87 N -1.12 1.36 -0.14 2.98 0.04 -0.69 -4.49 135.00 132.94 1pop s PRO 87 Ca 0.35 1.22 -0.25 0.00 0.04 0.00 0.00 61.00 62.36 1pop s PRO 87 Cb 0.14 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.87 1pop s PRO 87 CO -0.12 -2.29 0.82 -0.47 0.04 0.00 0.00 177.00 174.99 1pop s TYR 88 N -2.78 3.46 -0.05 0.56 5.04 -1.26 -4.73 117.35 117.58 1pop s TYR 88 Ca 0.64 1.28 0.12 0.00 -2.44 0.00 0.00 57.07 56.67 1pop s TYR 88 Cb -0.20 -2.99 -0.17 0.00 0.35 0.00 0.00 41.96 38.95 1pop s TYR 88 CO 0.58 -0.18 0.18 0.39 -1.34 0.00 0.00 175.55 175.18 1pop n GLU 89 N 4.94 1.05 -0.76 4.97 1.02 -1.26 -5.04 120.64 125.56 1pop n GLU 89 Ca 0.04 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1pop n GLU 89 Cb 0.49 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 1pop n GLU 89 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pop n GLY 90 N 1.99 0.66 2.97 0.62 0.00 -1.26 -5.00 105.19 105.16 1pop n GLY 90 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 1pop n GLY 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pop s VAL 91 N -2.23 0.06 0.05 1.61 1.01 -1.26 -4.40 120.40 115.24 1pop s VAL 91 Ca 0.00 -0.46 -0.28 0.00 0.00 0.00 0.00 61.98 61.24 1pop s VAL 91 Cb 0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 36.38 36.13 1pop s VAL 91 CO 0.00 -0.25 0.88 -1.58 0.00 0.00 0.00 175.10 174.15 1pop s GLN 92 N -0.77 4.59 0.01 2.72 0.74 -1.26 -4.97 119.66 120.71 1pop s GLN 92 Ca -0.09 1.28 0.00 0.00 0.05 0.00 0.00 55.36 56.60 1pop s GLN 92 Cb -0.05 -3.39 -0.00 0.00 1.10 0.00 0.00 33.01 30.66 1pop s GLN 92 CO -0.00 0.17 0.00 0.54 -0.55 0.00 0.00 175.29 175.45 1pop n ARG 93 N 3.09 1.33 -2.50 1.67 3.00 -1.26 -5.07 116.66 116.92 1pop n ARG 93 Ca 0.01 -0.09 -0.36 0.00 -0.01 0.00 0.00 57.85 57.40 1pop n ARG 93 Cb 0.50 0.04 -0.03 0.00 0.00 0.00 0.00 32.46 32.97 1pop n ARG 93 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.63 177.16 1pop s TYR 94 N -1.37 3.10 -0.47 -1.55 5.04 -1.26 -4.63 117.35 116.20 1pop s TYR 94 Ca 0.00 1.60 -0.28 0.00 -2.44 0.00 0.00 57.07 55.96 1pop s TYR 94 Cb 0.00 -3.14 -0.01 0.00 0.35 0.00 0.00 41.96 39.16 1pop s TYR 94 CO 0.00 -0.84 1.65 0.00 -1.34 0.00 0.00 175.55 175.03 1pop n ARG 96 N 8.61 2.39 -0.22 0.00 1.74 -1.26 -4.73 116.66 123.19 1pop n ARG 96 Ca 0.19 -3.04 -0.06 0.00 -0.77 0.00 0.00 57.85 54.17 1pop n ARG 96 Cb 0.49 -2.15 0.04 0.00 -1.02 0.00 0.00 32.46 29.82 1pop n ARG 96 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1pop h SER 97 N 1.21 0.74 -0.38 0.55 0.02 -1.96 -2.93 113.55 110.81 1pop h SER 97 Ca 0.55 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.42 1pop h SER 97 Cb 2.69 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 65.02 1pop h SER 97 CO 0.99 0.58 0.15 0.03 -1.14 0.00 0.00 176.83 177.44 1pop h ARG 98 N 0.84 0.63 0.00 3.45 -0.00 -1.86 -0.86 114.38 116.58 1pop h ARG 98 Ca 0.22 -0.09 -0.00 0.00 -0.50 0.00 0.00 59.98 59.61 1pop h ARG 98 Cb -0.03 -0.11 -0.00 0.00 0.00 0.00 0.00 29.97 29.83 1pop h ARG 98 CO -0.04 0.54 -0.02 0.93 0.00 0.00 0.00 179.97 181.38 1pop h GLU 99 N 0.62 0.00 -0.30 0.04 5.08 -1.88 -2.94 114.58 115.20 1pop h GLU 99 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1pop h GLU 99 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1pop h GLU 99 CO -0.01 0.02 0.00 1.63 -1.00 0.00 0.00 179.01 179.65 1pop n LYS 100 N -3.13 2.19 0.00 2.33 4.76 -0.33 -5.06 118.16 118.91 1pop n LYS 100 Ca 0.00 -1.79 0.00 0.00 -2.87 0.00 0.00 58.31 53.65 1pop n LYS 100 Cb 0.28 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 1pop n LYS 100 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1pop n GLY 101 N 1.35 -1.52 3.77 0.72 0.00 -1.11 -4.92 105.19 103.47 1pop n GLY 101 Ca 0.18 -1.38 -0.40 0.00 0.00 0.00 0.00 46.02 44.42 1pop n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1pop s PRO 102 N 0.00 3.88 0.50 1.61 0.02 -1.26 -4.79 135.00 134.96 1pop s PRO 102 Ca 0.00 2.32 -0.23 0.00 0.02 0.00 0.00 61.00 63.11 1pop s PRO 102 Cb 0.00 -2.75 -0.06 0.00 0.02 0.00 0.00 34.50 31.71 1pop s PRO 102 CO 0.00 -0.63 1.34 0.71 -0.33 0.00 0.00 177.00 178.09 1pop s TYR 103 N -1.21 2.45 0.03 6.54 2.02 -1.26 -4.91 117.35 121.00 1pop s TYR 103 Ca 0.58 1.38 0.09 0.00 -0.37 0.00 0.00 57.07 58.75 1pop s TYR 103 Cb -0.42 -3.76 -0.23 0.00 -0.40 0.00 0.00 41.96 37.16 1pop s TYR 103 CO 0.54 -2.64 0.93 0.00 -1.57 0.00 0.00 175.55 172.80 1pop h ALA 104 N 1.84 0.57 -2.53 3.71 0.00 -1.04 -3.48 119.26 118.34 1pop h ALA 104 Ca -0.51 -1.22 -0.09 0.00 0.00 0.00 0.00 54.91 53.10 1pop h ALA 104 Cb 1.28 0.21 -0.15 0.00 0.00 0.00 0.00 17.79 19.14 1pop h ALA 104 CO 0.59 1.42 -0.35 0.00 0.00 0.00 0.00 179.25 180.91 1pop s ALA 105 N -2.64 -0.30 -0.17 0.00 0.00 -0.80 -5.00 121.76 112.84 1pop s ALA 105 Ca -0.03 -0.51 -0.14 0.00 0.00 0.00 0.00 51.96 51.29 1pop s ALA 105 Cb 0.09 0.46 0.05 0.00 0.00 0.00 0.00 23.12 23.71 1pop s ALA 105 CO 0.82 -0.49 0.44 0.21 0.00 0.00 0.00 175.76 176.74 1pop s LYS 106 N -3.60 0.49 0.34 0.00 2.20 -1.26 -1.28 119.74 116.62 1pop s LYS 106 Ca 0.03 0.67 0.07 0.00 -0.36 0.00 0.00 55.97 56.39 1pop s LYS 106 Cb 0.04 0.17 -0.02 0.00 -1.51 0.00 0.00 37.83 36.51 1pop s LYS 106 CO -0.10 -0.09 0.35 0.95 -0.36 0.00 0.00 175.35 176.11 1pop s THR 107 N 0.59 3.60 -2.51 3.43 -4.23 -1.18 -5.02 115.64 110.31 1pop s THR 107 Ca -0.03 -1.26 0.27 0.00 -1.18 0.00 0.00 61.69 59.49 1pop s THR 107 Cb -0.05 -3.23 0.42 0.00 1.34 0.00 0.00 72.50 70.99 1pop s THR 107 CO -0.04 -0.15 1.60 0.47 -0.54 0.00 0.00 174.62 175.96 1pop n ASP 108 N -1.47 1.80 0.00 3.99 8.00 0.29 -4.43 116.55 124.72 1pop n ASP 108 Ca -0.01 -1.55 0.00 0.00 0.71 0.00 0.00 54.79 53.95 1pop n ASP 108 Cb 0.59 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 1pop n ASP 108 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pop n GLY 109 N 1.24 -0.57 3.07 0.44 0.00 -1.19 -4.92 105.19 103.26 1pop n GLY 109 Ca 0.17 -1.41 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 1pop n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pop s VAL 110 N -2.77 0.02 0.06 1.61 0.11 -1.26 -0.80 120.40 117.36 1pop s VAL 110 Ca 0.00 -0.16 0.05 0.00 -2.93 0.00 0.00 61.98 58.94 1pop s VAL 110 Cb 0.00 -0.30 -0.03 0.00 -1.53 0.00 0.00 36.38 34.53 1pop s VAL 110 CO 0.00 -0.09 -0.14 -0.13 -3.33 0.00 0.00 175.10 171.41 1pop s ARG 111 N -0.25 0.84 -0.10 1.54 1.81 -0.33 -4.94 118.95 117.52 1pop s ARG 111 Ca -0.03 -0.89 -0.09 0.00 -1.72 0.00 0.00 55.73 52.99 1pop s ARG 111 Cb -0.03 -0.84 -0.04 0.00 -0.45 0.00 0.00 34.95 33.58 1pop s ARG 111 CO 0.01 0.19 0.21 -1.14 -0.68 0.00 0.00 175.30 173.89 1pop s GLN 112 N -1.55 3.65 0.40 3.54 0.74 -1.26 -1.49 119.66 123.69 1pop s GLN 112 Ca -0.01 0.00 -0.12 0.00 0.05 0.00 0.00 55.36 55.28 1pop s GLN 112 Cb -0.09 -3.23 -0.07 0.00 1.10 0.00 0.00 33.01 30.72 1pop s GLN 112 CO 0.02 0.69 0.80 0.14 -0.55 0.00 0.00 175.29 176.39 1pop s VAL 113 N -0.86 4.72 -0.15 1.34 -7.23 -0.01 -4.98 120.40 113.23 1pop s VAL 113 Ca 0.17 0.78 -0.31 0.00 -1.81 0.00 0.00 61.98 60.81 1pop s VAL 113 Cb -0.13 -3.70 -0.09 0.00 0.56 0.00 0.00 36.38 33.02 1pop s VAL 113 CO 0.06 -0.47 2.08 1.67 -0.31 0.00 0.00 175.10 178.13 1pop n GLN 114 N -1.13 2.07 -1.35 4.82 7.27 -1.26 -4.59 117.38 123.20 1pop n GLN 114 Ca 0.03 0.67 -0.34 0.00 0.07 0.00 0.00 57.00 57.44 1pop n GLN 114 Cb 0.54 -2.91 0.10 0.00 2.41 0.00 0.00 30.24 30.38 1pop n GLN 114 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1pop s PRO 115 N 5.35 2.04 -1.46 3.69 0.04 -1.26 -3.85 135.00 139.56 1pop s PRO 115 Ca 0.98 1.69 -0.10 0.00 0.04 0.00 0.00 61.00 63.60 1pop s PRO 115 Cb -0.53 -1.83 0.04 0.00 0.04 0.00 0.00 34.50 32.22 1pop s PRO 115 CO 0.43 -1.89 0.94 0.66 0.04 0.00 0.00 177.00 177.19 1pop n TYR 116 N -2.92 -2.41 -3.58 0.56 4.01 0.20 -4.98 117.16 108.05 1pop n TYR 116 Ca 0.13 0.84 -0.24 0.00 -0.16 0.00 0.00 57.90 58.46 1pop n TYR 116 Cb 0.51 -4.35 -0.16 0.00 -0.31 0.00 0.00 39.34 35.02 1pop n TYR 116 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1pop s ASN 117 N -3.14 2.16 0.30 7.72 3.84 -1.25 -4.80 114.94 119.77 1pop s ASN 117 Ca 0.55 -0.55 0.00 0.00 0.21 0.00 0.00 52.86 53.08 1pop s ASN 117 Cb -0.26 -0.10 0.48 0.00 -0.55 0.00 0.00 41.25 40.81 1pop s ASN 117 CO 0.68 -0.35 1.87 -0.61 -2.79 0.00 0.00 177.10 175.91 1pop h GLN 118 N 8.40 0.79 -0.39 0.43 4.15 -1.91 -3.07 115.11 123.51 1pop h GLN 118 Ca -0.16 -0.14 -0.11 0.00 0.77 0.00 0.00 58.65 59.02 1pop h GLN 118 Cb 1.15 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.69 1pop h GLN 118 CO 0.29 0.68 -0.19 0.78 -1.93 0.00 0.00 178.83 178.46 1pop h GLY 119 N 0.93 0.80 0.99 2.39 0.00 -1.97 -1.77 103.07 104.44 1pop h GLY 119 Ca 0.18 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 1pop h GLY 119 CO -0.01 0.60 0.30 0.00 0.00 0.00 0.00 176.54 177.43 1pop h ALA 120 N 1.13 0.73 -0.26 3.60 0.00 -1.87 -1.41 119.26 121.18 1pop h ALA 120 Ca 0.10 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1pop h ALA 120 Cb 0.68 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1pop h ALA 120 CO 0.05 0.25 -0.07 1.25 0.00 0.00 0.00 179.25 180.73 1pop h LEU 121 N 0.76 0.51 -0.65 0.00 5.85 -1.44 -1.60 115.31 118.74 1pop h LEU 121 Ca 0.20 -0.37 0.03 0.00 0.84 0.00 0.00 57.88 58.58 1pop h LEU 121 Cb 0.06 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1pop h LEU 121 CO -0.03 0.76 0.40 -0.07 -0.34 0.00 0.00 178.44 179.16 1pop h LEU 122 N 0.24 0.65 -0.67 2.25 3.38 -1.19 -0.69 115.31 119.28 1pop h LEU 122 Ca 0.06 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1pop h LEU 122 Cb 0.55 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1pop h LEU 122 CO 0.03 0.45 0.19 0.22 0.09 0.00 0.00 178.44 179.41 1pop h TYR 123 N 0.78 1.10 -0.35 1.13 3.20 -1.10 -1.68 116.97 120.05 1pop h TYR 123 Ca 0.26 -0.12 -0.08 0.00 3.14 0.00 0.00 58.73 61.93 1pop h TYR 123 Cb 0.03 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 37.98 1pop h TYR 123 CO -0.05 0.89 -0.10 0.77 -1.64 0.00 0.00 178.16 178.03 1pop h SER 124 N 0.98 0.70 -0.74 -2.11 0.02 -0.90 -3.15 113.55 108.35 1pop h SER 124 Ca 0.21 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1pop h SER 124 Cb 0.33 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 1pop h SER 124 CO -0.00 0.91 0.48 0.40 -1.14 0.00 0.00 176.83 177.48 1pop h ILE 125 N 0.49 1.20 0.00 3.27 2.04 -0.94 0.94 117.51 124.50 1pop h ILE 125 Ca 0.09 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1pop h ILE 125 Cb 0.62 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1pop h ILE 125 CO 0.04 0.19 0.00 0.00 0.00 0.00 0.00 178.15 178.38 1pop h ALA 126 N 1.52 1.00 0.01 1.87 0.00 -1.27 -2.98 119.26 119.41 1pop h ALA 126 Ca 0.27 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.82 1pop h ALA 126 Cb -0.09 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 1pop h ALA 126 CO -0.06 0.00 -2.25 0.09 0.00 0.00 0.00 179.25 177.03 1pop n ASN 127 N -2.42 0.59 -3.56 0.00 5.03 0.25 -5.05 115.26 110.10 1pop n ASN 127 Ca 0.00 0.07 -0.06 0.00 0.87 0.00 0.00 54.58 55.46 1pop n ASN 127 Cb 0.14 0.47 -0.02 0.00 -1.02 0.00 0.00 39.78 39.36 1pop n ASN 127 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1pop s GLN 128 N -2.52 0.64 0.43 3.52 -2.07 -0.72 -5.07 119.66 113.88 1pop s GLN 128 Ca -0.13 -0.26 -0.25 0.00 -1.82 0.00 0.00 55.36 52.90 1pop s GLN 128 Cb 0.07 0.28 -0.09 0.00 -1.09 0.00 0.00 33.01 32.18 1pop s GLN 128 CO 0.79 -0.28 1.30 -2.30 -1.32 0.00 0.00 175.29 173.47 1pop n PRO 129 N -0.22 1.96 -4.22 9.60 -0.02 -1.26 -3.90 135.00 136.94 1pop n PRO 129 Ca -0.05 0.70 -0.18 0.00 -2.02 0.00 0.00 63.50 61.95 1pop n PRO 129 Cb 0.60 -2.43 -0.12 0.00 -0.02 0.00 0.00 33.50 31.53 1pop n PRO 129 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pop s VAL 130 N -1.20 1.00 -0.22 -1.45 1.01 -0.85 -4.76 120.40 113.94 1pop s VAL 130 Ca 0.61 -1.12 -0.19 0.00 0.00 0.00 0.00 61.98 61.29 1pop s VAL 130 Cb -0.49 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 1pop s VAL 130 CO 0.58 -0.15 0.55 -0.55 0.00 0.00 0.00 175.10 175.53 1pop s SER 131 N -1.43 6.57 0.19 3.32 0.15 0.33 -0.31 113.70 122.52 1pop s SER 131 Ca -0.02 0.68 0.09 0.00 0.70 0.00 0.00 55.95 57.41 1pop s SER 131 Cb -0.09 -2.31 -0.04 0.00 -1.71 0.00 0.00 66.02 61.87 1pop s SER 131 CO 0.02 -0.24 -0.18 0.68 1.20 0.00 0.00 173.24 174.72 1pop s VAL 132 N 1.90 1.92 0.23 4.45 -7.23 -0.40 -1.66 120.40 119.62 1pop s VAL 132 Ca 0.25 -2.08 0.10 0.00 -1.81 0.00 0.00 61.98 58.44 1pop s VAL 132 Cb -0.16 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 1pop s VAL 132 CO 0.10 -0.40 -0.09 0.68 -0.31 0.00 0.00 175.10 175.08 1pop s VAL 133 N -2.36 3.12 0.15 1.32 -7.23 -1.25 -0.55 120.40 113.60 1pop s VAL 133 Ca 0.20 -1.92 -0.25 0.00 -1.81 0.00 0.00 61.98 58.21 1pop s VAL 133 Cb -0.04 -2.61 0.06 0.00 0.56 0.00 0.00 36.38 34.35 1pop s VAL 133 CO 0.08 -0.27 0.84 -1.48 -0.31 0.00 0.00 175.10 173.96 1pop s LEU 134 N -3.28 -0.30 -0.22 1.32 0.05 -0.75 -3.97 118.68 111.54 1pop s LEU 134 Ca 0.28 -0.30 -0.24 0.00 0.05 0.00 0.00 54.13 53.92 1pop s LEU 134 Cb -0.07 2.32 -0.01 0.00 -2.05 0.00 0.00 46.19 46.38 1pop s LEU 134 CO 0.17 -0.95 0.80 -1.58 -0.55 0.00 0.00 176.35 174.24 1pop s GLN 135 N -3.46 4.21 0.00 1.48 0.74 -0.41 -1.60 119.66 120.63 1pop s GLN 135 Ca 0.09 0.91 0.00 0.00 0.05 0.00 0.00 55.36 56.41 1pop s GLN 135 Cb -0.02 -3.62 0.00 0.00 1.10 0.00 0.00 33.01 30.47 1pop s GLN 135 CO -0.02 -0.43 0.33 0.00 -0.55 0.00 0.00 175.29 174.63 1pop n ALA 136 N 5.68 2.28 0.26 1.58 0.00 -1.26 -4.74 120.51 124.30 1pop n ALA 136 Ca 0.04 -0.33 0.12 0.00 0.00 0.00 0.00 53.44 53.27 1pop n ALA 136 Cb 0.48 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.63 1pop n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pop h ALA 137 N 0.00 1.30 -2.88 0.00 0.00 -1.91 -3.40 119.26 112.37 1pop h ALA 137 Ca 0.00 -0.12 -0.53 0.00 0.00 0.00 0.00 54.91 54.26 1pop h ALA 137 Cb 0.01 -0.02 0.11 0.00 0.00 0.00 0.00 17.79 17.88 1pop h ALA 137 CO 0.00 0.16 0.55 0.20 0.00 0.00 0.00 179.25 180.16 1pop s GLY 138 N -4.20 2.83 0.39 0.00 0.00 -1.26 -4.93 107.32 100.15 1pop s GLY 138 Ca -0.03 1.14 0.10 0.00 0.00 0.00 0.00 44.72 45.94 1pop s GLY 138 CO 0.60 1.63 1.91 0.50 0.00 0.00 0.00 173.10 177.73 1pop h LYS 139 N 1.63 0.20 -0.46 2.90 1.79 -1.92 -2.91 116.57 117.80 1pop h LYS 139 Ca -0.50 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 57.90 1pop h LYS 139 Cb 1.28 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.88 1pop h LYS 139 CO 0.58 0.37 0.21 -0.44 -1.08 0.00 0.00 179.45 179.09 1pop h ASP 140 N 0.18 0.61 -0.16 0.86 5.19 -1.92 -1.12 116.42 120.06 1pop h ASP 140 Ca 0.04 -0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 56.30 1pop h ASP 140 Cb 0.41 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.76 1pop h ASP 140 CO 0.03 0.57 0.06 0.15 -3.12 0.00 0.00 179.24 176.93 1pop h PHE 141 N 0.60 0.24 -0.78 4.55 3.04 -1.80 -2.94 116.94 119.84 1pop h PHE 141 Ca 0.16 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.09 1pop h PHE 141 Cb 0.14 -0.07 -0.04 0.00 2.56 0.00 0.00 35.95 38.54 1pop h PHE 141 CO -0.01 0.31 0.50 1.96 -2.02 0.00 0.00 178.31 179.05 1pop h GLN 142 N 0.10 1.05 -0.52 1.11 4.20 -1.35 -2.32 115.11 117.38 1pop h GLN 142 Ca 0.05 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1pop h GLN 142 Cb 0.17 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.73 1pop h GLN 142 CO -0.00 0.71 0.00 1.28 -0.67 0.00 0.00 178.83 180.15 1pop n LEU 143 N -4.40 2.80 -4.71 1.46 4.77 -0.44 -4.95 117.00 111.53 1pop n LEU 143 Ca 0.09 -1.40 -0.42 0.00 -0.03 0.00 0.00 56.01 54.24 1pop n LEU 143 Cb 0.05 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 1pop n LEU 143 CO 0.37 0.66 1.25 -0.47 -1.33 0.00 0.00 177.39 177.88 1pop s TYR 144 N -1.38 2.83 -0.28 -1.77 5.04 -0.87 -4.92 117.35 116.00 1pop s TYR 144 Ca 0.34 0.54 0.06 0.00 -2.44 0.00 0.00 57.07 55.57 1pop s TYR 144 Cb 0.18 -3.92 -0.07 0.00 0.35 0.00 0.00 41.96 38.50 1pop s TYR 144 CO 0.22 -3.50 0.26 0.54 -1.34 0.00 0.00 175.55 171.73 1pop n ARG 145 N 4.60 4.53 0.00 4.97 1.74 -1.26 -2.10 116.66 129.13 1pop n ARG 145 Ca 0.14 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 1pop n ARG 145 Cb 0.40 -0.83 0.00 0.00 -1.02 0.00 0.00 32.46 31.00 1pop n ARG 145 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pop n GLY 146 N 1.22 0.50 0.61 -0.13 0.00 -1.26 -4.31 105.19 101.82 1pop n GLY 146 Ca 0.01 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1pop n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pop n GLY 147 N -1.17 -2.71 3.69 -0.02 0.00 -1.26 -4.84 105.19 98.88 1pop n GLY 147 Ca 0.00 -1.67 -0.39 0.00 0.00 0.00 0.00 46.02 43.96 1pop n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pop s ILE 148 N -0.89 5.09 -0.18 -0.61 1.01 -1.26 -4.33 121.20 120.03 1pop s ILE 148 Ca 0.00 1.10 -0.27 0.00 0.00 0.00 0.00 60.65 61.49 1pop s ILE 148 Cb 0.00 -3.90 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 1pop s ILE 148 CO 0.00 0.21 0.90 0.12 0.00 0.00 0.00 174.94 176.17 1pop s PHE 149 N 1.33 3.40 -1.32 3.97 5.36 0.22 -4.87 117.98 126.06 1pop s PHE 149 Ca 0.28 1.33 0.12 0.00 -0.96 0.00 0.00 56.93 57.71 1pop s PHE 149 Cb -0.16 -3.10 0.04 0.00 -0.34 0.00 0.00 43.02 39.46 1pop s PHE 149 CO 0.11 -0.32 0.79 0.28 -1.46 0.00 0.00 175.22 174.63 1pop n VAL 150 N 4.92 0.00 0.00 3.12 0.31 -1.26 -0.95 118.33 124.47 1pop n VAL 150 Ca 0.07 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1pop n VAL 150 Cb 0.48 1.20 0.00 0.00 -0.91 0.00 0.00 33.84 34.61 1pop n VAL 150 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pop n GLY 151 N 0.87 -0.95 3.80 2.92 0.00 -1.26 -4.85 105.19 105.71 1pop n GLY 151 Ca 0.06 -1.95 -0.32 0.00 0.00 0.00 0.00 46.02 43.80 1pop n GLY 151 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pop s PRO 152 N 0.00 3.09 -0.24 1.61 0.04 -1.26 -4.97 135.00 133.27 1pop s PRO 152 Ca 0.00 1.22 -0.33 0.00 0.04 0.00 0.00 61.00 61.93 1pop s PRO 152 Cb 0.00 -2.00 0.16 0.00 0.04 0.00 0.00 34.50 32.70 1pop s PRO 152 CO 0.00 -0.99 1.28 0.00 0.04 0.00 0.00 177.00 177.32 1pop n GLY 154 N 0.27 1.88 0.34 0.00 0.00 -1.26 -4.52 105.19 101.91 1pop n GLY 154 Ca -0.00 -1.92 0.03 0.00 0.00 0.00 0.00 46.02 44.14 1pop n GLY 154 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pop n ASN 155 N 0.00 2.16 -4.53 1.61 5.03 -1.26 -3.60 115.26 114.67 1pop n ASN 155 Ca 0.00 -1.72 -0.38 0.00 0.87 0.00 0.00 54.58 53.36 1pop n ASN 155 Cb 0.00 -0.08 -0.02 0.00 -1.02 0.00 0.00 39.78 38.65 1pop n ASN 155 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1pop n LYS 156 N 0.21 2.57 -1.77 3.52 5.02 -1.26 -4.77 118.16 121.68 1pop n LYS 156 Ca 0.06 -2.93 -0.41 0.00 -2.02 0.00 0.00 58.31 53.00 1pop n LYS 156 Cb 0.28 -3.57 -0.01 0.00 -0.02 0.00 0.00 35.03 31.71 1pop n LYS 156 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1pop s VAL 157 N 6.70 2.03 0.00 -0.18 -7.23 -1.26 -4.45 120.40 116.00 1pop s VAL 157 Ca 0.59 0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.79 1pop s VAL 157 Cb 0.03 -3.02 0.00 0.00 0.56 0.00 0.00 36.38 33.95 1pop s VAL 157 CO 0.10 0.01 0.01 -0.90 -0.31 0.00 0.00 175.10 174.00 1pop n ASP 158 N 1.77 0.00 -3.84 4.85 5.68 -0.63 -4.89 116.55 119.49 1pop n ASP 158 Ca 0.07 -1.00 -0.12 0.00 -0.50 0.00 0.00 54.79 53.23 1pop n ASP 158 Cb 0.38 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.23 1pop n ASP 158 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 1pop s HIS 159 N 0.00 -0.10 -0.13 2.11 5.04 -0.69 -4.92 115.29 116.60 1pop s HIS 159 Ca 0.00 0.25 -0.00 0.00 -1.54 0.00 0.00 55.06 53.77 1pop s HIS 159 Cb 0.00 0.03 -0.02 0.00 0.04 0.00 0.00 32.58 32.63 1pop s HIS 159 CO 0.00 -0.07 -0.12 0.00 -2.34 0.00 0.00 174.74 172.21 1pop s ALA 160 N -0.05 2.67 0.21 1.58 0.00 -1.26 -1.81 121.76 123.10 1pop s ALA 160 Ca -0.01 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.11 1pop s ALA 160 Cb -0.01 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.85 1pop s ALA 160 CO 0.00 0.27 0.17 1.33 0.00 0.00 0.00 175.76 177.53 1pop n VAL 161 N 3.42 0.00 -4.46 0.00 0.24 0.28 -4.46 118.33 113.36 1pop n VAL 161 Ca -0.18 -1.53 -0.22 0.00 -2.04 0.00 0.00 64.34 60.37 1pop n VAL 161 Cb 0.53 0.74 -0.16 0.00 -1.47 0.00 0.00 33.84 33.48 1pop n VAL 161 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pop s ALA 162 N -2.84 1.02 -0.15 2.33 0.00 -1.17 -1.27 121.76 119.68 1pop s ALA 162 Ca 0.24 -0.34 -0.26 0.00 0.00 0.00 0.00 51.96 51.60 1pop s ALA 162 Cb 0.01 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 1pop s ALA 162 CO 0.17 0.12 0.85 0.00 0.00 0.00 0.00 175.76 176.90 1pop s ALA 163 N 0.45 3.49 -0.11 0.00 0.00 0.58 -1.18 121.76 124.98 1pop s ALA 163 Ca -0.08 0.09 0.16 0.00 0.00 0.00 0.00 51.96 52.13 1pop s ALA 163 Cb -0.12 -3.24 0.25 0.00 0.00 0.00 0.00 23.12 20.01 1pop s ALA 163 CO 0.02 -0.61 1.13 1.33 0.00 0.00 0.00 175.76 177.63 1pop n VAL 164 N 4.65 1.78 -0.48 0.00 0.24 0.07 -2.01 118.33 122.58 1pop n VAL 164 Ca 0.05 -2.09 0.00 0.00 -2.04 0.00 0.00 64.34 60.25 1pop n VAL 164 Cb 0.49 -0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.72 1pop n VAL 164 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pop n GLY 165 N -1.30 -2.25 3.80 7.63 0.00 -1.21 -1.27 105.19 110.59 1pop n GLY 165 Ca 0.14 -1.21 -0.06 0.00 0.00 0.00 0.00 46.02 44.88 1pop n GLY 165 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pop s TYR 166 N -2.13 -0.20 0.00 1.61 -0.85 -0.15 -0.91 117.35 114.72 1pop s TYR 166 Ca 0.00 -0.20 0.00 0.00 -0.52 0.00 0.00 57.07 56.35 1pop s TYR 166 Cb 0.00 0.68 0.00 0.00 0.38 0.00 0.00 41.96 43.02 1pop s TYR 166 CO 0.00 -1.10 0.00 0.41 -1.52 0.00 0.00 175.55 173.34 1pop n GLY 167 N -0.45 3.70 0.22 5.49 0.00 -0.35 -1.61 105.19 112.18 1pop n GLY 167 Ca -0.05 -1.47 -0.00 0.00 0.00 0.00 0.00 46.02 44.50 1pop n GLY 167 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1pop h PRO 168 N 0.00 0.24 0.00 1.61 0.11 -1.99 -3.19 132.00 128.78 1pop h PRO 168 Ca 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1pop h PRO 168 Cb 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.09 1pop h PRO 168 CO 0.00 0.51 -0.03 0.27 -0.21 0.00 0.00 178.00 178.54 1pop n ASN 169 N -4.13 1.85 -3.91 -2.05 6.94 -1.26 -4.88 115.26 107.82 1pop n ASN 169 Ca -0.01 -2.37 -0.09 0.00 -0.02 0.00 0.00 54.58 52.09 1pop n ASN 169 Cb 0.38 -0.19 -0.05 0.00 -2.36 0.00 0.00 39.78 37.57 1pop n ASN 169 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 1pop s TYR 170 N -1.62 0.19 -0.10 -2.53 -0.85 -1.21 -2.09 117.35 109.14 1pop s TYR 170 Ca 0.13 -0.55 0.04 0.00 -0.52 0.00 0.00 57.07 56.17 1pop s TYR 170 Cb 0.11 0.24 0.00 0.00 0.38 0.00 0.00 41.96 42.70 1pop s TYR 170 CO 0.01 -0.94 -0.24 0.42 -1.52 0.00 0.00 175.55 173.29 1pop s ILE 171 N -3.96 2.03 -0.23 -3.49 1.01 -0.05 -1.21 121.20 115.29 1pop s ILE 171 Ca 0.17 -1.00 -0.20 0.00 0.00 0.00 0.00 60.65 59.62 1pop s ILE 171 Cb -0.00 -1.76 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 1pop s ILE 171 CO 0.04 0.55 0.61 -0.22 0.00 0.00 0.00 174.94 175.92 1pop s LEU 172 N 0.37 4.10 -0.11 2.97 2.96 -0.09 -1.35 118.68 127.53 1pop s LEU 172 Ca -0.18 0.73 0.02 0.00 -0.22 0.00 0.00 54.13 54.47 1pop s LEU 172 Cb -0.18 -2.83 -0.01 0.00 0.50 0.00 0.00 46.19 43.67 1pop s LEU 172 CO 0.08 -0.31 -0.18 -0.63 -1.32 0.00 0.00 176.35 173.99 1pop s ILE 173 N 2.20 2.61 -0.25 6.68 -1.09 -0.13 -0.75 121.20 130.46 1pop s ILE 173 Ca 0.26 -0.83 -0.13 0.00 -2.23 0.00 0.00 60.65 57.72 1pop s ILE 173 Cb -0.16 -2.05 -0.04 0.00 -1.58 0.00 0.00 42.46 38.63 1pop s ILE 173 CO 0.09 0.54 0.28 -0.75 -1.23 0.00 0.00 174.94 173.88 1pop s LYS 174 N 0.27 4.05 0.31 2.79 2.20 -0.33 -1.76 119.74 127.27 1pop s LYS 174 Ca -0.13 -0.09 0.08 0.00 -0.36 0.00 0.00 55.97 55.48 1pop s LYS 174 Cb -0.16 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.52 1pop s LYS 174 CO 0.07 -0.11 0.13 1.21 -0.36 0.00 0.00 175.35 176.28 1pop s ASN 175 N 1.38 4.86 -0.55 1.43 2.47 -0.60 -3.02 114.94 120.91 1pop s ASN 175 Ca 0.12 -0.62 0.01 0.00 0.42 0.00 0.00 52.86 52.79 1pop s ASN 175 Cb -0.15 -0.90 0.47 0.00 -1.45 0.00 0.00 41.25 39.22 1pop s ASN 175 CO 0.08 -0.18 1.79 -1.54 -3.72 0.00 0.00 177.10 173.53 1pop n SER 176 N -1.12 6.60 -1.29 -4.21 3.41 -1.26 -4.51 113.62 111.25 1pop n SER 176 Ca -0.05 -3.77 -0.06 0.00 -0.26 0.00 0.00 58.87 54.73 1pop n SER 176 Cb 0.60 -0.79 0.20 0.00 -0.26 0.00 0.00 64.21 63.96 1pop n SER 176 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1pop n TRP 177 N -0.88 1.34 -0.48 7.33 8.01 -1.23 -1.18 117.44 130.35 1pop n TRP 177 Ca 0.57 -1.59 0.06 0.00 -1.31 0.00 0.00 57.50 55.23 1pop n TRP 177 Cb 0.80 -0.54 -0.02 0.00 -2.01 0.00 0.00 31.31 29.54 1pop n TRP 177 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1pop n GLY 178 N -1.08 -1.61 0.07 6.99 0.00 -0.46 -4.39 105.19 104.71 1pop n GLY 178 Ca 0.36 -1.40 0.12 0.00 0.00 0.00 0.00 46.02 45.10 1pop n GLY 178 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pop n THR 179 N -2.27 0.54 0.31 2.61 -2.24 -1.26 -3.75 114.28 108.21 1pop n THR 179 Ca 0.00 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1pop n THR 179 Cb 0.22 -0.73 0.13 0.00 -2.10 0.00 0.00 70.33 67.85 1pop n THR 179 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pop n GLY 180 N 0.94 2.19 2.93 3.38 0.00 -1.26 -3.69 105.19 109.68 1pop n GLY 180 Ca 0.05 -0.34 -0.18 0.00 0.00 0.00 0.00 46.02 45.55 1pop n GLY 180 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1pop s TRP 181 N -1.54 0.64 0.00 1.61 -0.00 -1.25 -5.03 118.94 113.38 1pop s TRP 181 Ca 0.19 -0.15 0.00 0.00 -0.00 0.00 0.00 56.10 56.15 1pop s TRP 181 Cb 0.15 -0.52 0.00 0.00 -0.00 0.00 0.00 33.47 33.11 1pop s TRP 181 CO 0.05 -0.10 0.00 0.41 -0.00 0.00 0.00 176.95 177.31 1pop n GLY 182 N 3.54 1.84 3.47 5.86 0.00 -0.89 -0.74 105.19 118.26 1pop n GLY 182 Ca -0.20 -0.50 -0.44 0.00 0.00 0.00 0.00 46.02 44.88 1pop n GLY 182 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pop s GLU 183 N 0.00 4.07 -1.64 1.61 2.02 0.13 -4.30 118.70 120.59 1pop s GLU 183 Ca 0.00 -2.52 -0.00 0.00 0.02 0.00 0.00 54.97 52.47 1pop s GLU 183 Cb 0.00 -5.09 0.00 0.00 0.10 0.00 0.00 34.13 29.14 1pop s GLU 183 CO 0.00 -1.80 0.03 0.09 0.02 0.00 0.00 175.26 173.59 1pop n ASN 184 N 5.86 -5.55 0.00 -0.19 4.13 -1.25 -1.41 115.26 116.86 1pop n ASN 184 Ca 0.37 0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.64 1pop n ASN 184 Cb 0.43 -4.63 0.00 0.00 -1.54 0.00 0.00 39.78 34.05 1pop n ASN 184 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1pop n GLY 185 N -1.00 0.51 3.74 7.41 0.00 0.08 -4.58 105.19 111.35 1pop n GLY 185 Ca -0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 1pop n GLY 185 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pop s TYR 186 N -2.00 2.98 0.03 1.61 2.02 -0.50 -1.55 117.35 119.93 1pop s TYR 186 Ca 0.00 -0.11 0.03 0.00 -0.37 0.00 0.00 57.07 56.62 1pop s TYR 186 Cb 0.00 -1.40 -0.02 0.00 -0.40 0.00 0.00 41.96 40.15 1pop s TYR 186 CO 0.00 0.53 -0.10 -1.50 -1.57 0.00 0.00 175.55 172.92 1pop s ILE 187 N -1.93 0.75 -0.30 2.71 2.07 -0.72 -0.70 121.20 123.09 1pop s ILE 187 Ca 0.30 -0.80 -0.07 0.00 -1.41 0.00 0.00 60.65 58.67 1pop s ILE 187 Cb -0.09 -0.70 0.01 0.00 0.13 0.00 0.00 42.46 41.81 1pop s ILE 187 CO 0.22 -0.07 0.09 -0.13 -1.91 0.00 0.00 174.94 173.13 1pop s ARG 188 N -0.98 3.11 -0.13 3.50 0.52 -1.26 -0.96 118.95 122.75 1pop s ARG 188 Ca -0.02 -0.85 -0.07 0.00 -0.52 0.00 0.00 55.73 54.27 1pop s ARG 188 Cb -0.07 -3.39 -0.04 0.00 0.52 0.00 0.00 34.95 31.97 1pop s ARG 188 CO 0.01 -0.44 0.13 0.42 0.02 0.00 0.00 175.30 175.43 1pop s ILE 189 N 1.51 5.41 0.27 1.52 1.01 -0.46 -0.61 121.20 129.85 1pop s ILE 189 Ca 0.03 0.17 -0.30 0.00 0.00 0.00 0.00 60.65 60.55 1pop s ILE 189 Cb -0.17 -3.37 -0.13 0.00 0.01 0.00 0.00 42.46 38.80 1pop s ILE 189 CO 0.03 0.59 1.40 1.17 0.00 0.00 0.00 174.94 178.12 1pop n LYS 190 N 2.28 2.15 -4.04 2.79 3.00 -0.12 -0.87 118.16 123.35 1pop n LYS 190 Ca -0.19 0.76 -0.24 0.00 -0.00 0.00 0.00 58.31 58.64 1pop n LYS 190 Cb 0.54 -2.42 -0.05 0.00 0.00 0.00 0.00 35.03 33.10 1pop n LYS 190 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 1pop n ARG 191 N 1.65 0.94 -2.63 1.64 1.85 -0.89 -4.56 116.66 114.67 1pop n ARG 191 Ca 0.09 -2.85 -0.14 0.00 -1.00 0.00 0.00 57.85 53.96 1pop n ARG 191 Cb 0.33 0.95 0.02 0.00 -1.05 0.00 0.00 32.46 32.71 1pop n ARG 191 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1pop n GLY 192 N 0.17 -0.08 0.90 2.89 0.00 -1.26 -4.78 105.19 103.02 1pop n GLY 192 Ca -0.13 -0.25 0.09 0.00 0.00 0.00 0.00 46.02 45.73 1pop n GLY 192 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pop n THR 193 N -4.03 0.64 -0.10 2.61 -2.24 -1.26 -4.96 114.28 104.94 1pop n THR 193 Ca -0.09 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 1pop n THR 193 Cb 0.58 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 1pop n THR 193 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pop n GLY 194 N 1.06 1.65 3.61 3.38 0.00 -1.26 -4.95 105.19 108.68 1pop n GLY 194 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1pop n GLY 194 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pop s ASN 195 N -3.13 6.32 0.45 1.61 2.47 -1.26 -4.94 114.94 116.46 1pop s ASN 195 Ca 0.00 1.16 0.12 0.00 0.42 0.00 0.00 52.86 54.56 1pop s ASN 195 Cb 0.00 -2.54 1.01 0.00 -1.45 0.00 0.00 41.25 38.27 1pop s ASN 195 CO 0.00 -1.39 2.05 0.28 -3.72 0.00 0.00 177.10 174.33 1pop h SER 196 N 10.89 0.19 0.61 -4.21 0.02 -1.92 -2.50 113.55 116.62 1pop h SER 196 Ca -0.30 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.57 1pop h SER 196 Cb 1.13 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.61 1pop h SER 196 CO 1.05 0.21 -0.30 1.88 -1.14 0.00 0.00 176.83 178.53 1pop h TYR 197 N 0.21 0.00 0.00 3.45 0.05 -1.92 -3.38 116.97 115.38 1pop h TYR 197 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.83 1pop h TYR 197 Cb 0.10 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.84 1pop h TYR 197 CO 0.00 0.30 0.00 0.41 -1.05 0.00 0.00 178.16 177.82 1pop n GLY 198 N -0.18 -0.84 3.74 3.88 0.00 -0.94 -1.41 105.19 109.42 1pop n GLY 198 Ca -0.01 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 1pop n GLY 198 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pop s VAL 199 N -3.18 3.29 -1.64 1.61 0.11 -1.26 -1.80 120.40 117.52 1pop s VAL 199 Ca 0.00 1.06 0.00 0.00 -2.93 0.00 0.00 61.98 60.11 1pop s VAL 199 Cb 0.00 -3.67 0.00 0.00 -1.53 0.00 0.00 36.38 31.18 1pop s VAL 199 CO 0.00 0.16 0.00 0.00 -3.33 0.00 0.00 175.10 171.93 1pop n GLY 201 N -1.00 0.39 0.30 0.00 0.00 -0.75 -1.29 105.19 102.84 1pop n GLY 201 Ca -0.17 -1.06 0.20 0.00 0.00 0.00 0.00 46.02 45.00 1pop n GLY 201 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1pop h LEU 202 N 0.00 0.00 -3.58 0.99 5.85 -1.39 -2.75 115.31 114.43 1pop h LEU 202 Ca 0.00 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.53 1pop h LEU 202 Cb 0.13 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.05 1pop h LEU 202 CO 0.00 0.00 0.18 -1.22 -0.34 0.00 0.00 178.44 177.06 1pop n TYR 203 N -2.90 1.90 -0.01 1.25 4.01 -0.50 -4.52 117.16 116.39 1pop n TYR 203 Ca -0.02 -1.29 -0.17 0.00 -0.16 0.00 0.00 57.90 56.26 1pop n TYR 203 Cb 0.08 -0.59 -0.14 0.00 -0.31 0.00 0.00 39.34 38.38 1pop n TYR 203 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1pop h THR 204 N 1.95 1.64 -1.76 -0.72 2.02 -1.67 0.61 112.91 114.98 1pop h THR 204 Ca 0.24 -2.39 -0.05 0.00 0.77 0.00 0.00 66.41 64.98 1pop h THR 204 Cb 2.06 3.23 -0.26 0.00 -1.74 0.00 0.00 68.15 71.44 1pop h THR 204 CO 0.59 0.65 -0.36 -0.44 0.37 0.00 0.00 175.52 176.33 1pop s SER 205 N -6.58 -0.46 -0.03 4.18 0.01 -1.26 -4.72 113.70 104.83 1pop s SER 205 Ca -0.16 0.69 0.03 0.00 1.31 0.00 0.00 55.95 57.82 1pop s SER 205 Cb -0.01 1.58 0.00 0.00 0.21 0.00 0.00 66.02 67.81 1pop s SER 205 CO 0.76 -0.27 -0.11 -0.44 0.41 0.00 0.00 173.24 173.60 1pop s SER 206 N 2.68 1.41 0.06 2.44 0.01 -1.26 -3.75 113.70 115.30 1pop s SER 206 Ca 0.11 -0.22 0.02 0.00 1.31 0.00 0.00 55.95 57.17 1pop s SER 206 Cb -0.14 -0.36 -0.03 0.00 0.21 0.00 0.00 66.02 65.69 1pop s SER 206 CO -0.17 0.09 -0.08 -0.36 0.41 0.00 0.00 173.24 173.13 1pop s PHE 207 N 0.13 0.78 0.00 2.43 0.40 -0.66 -0.83 117.98 120.23 1pop s PHE 207 Ca -0.03 -0.64 -0.06 0.00 -0.60 0.00 0.00 56.93 55.60 1pop s PHE 207 Cb -0.09 -0.46 -0.00 0.00 0.51 0.00 0.00 43.02 42.98 1pop s PHE 207 CO 0.01 -0.10 0.11 1.52 0.70 0.00 0.00 175.22 177.46 1pop s TYR 208 N -2.17 0.06 0.39 0.36 1.13 -0.55 -0.51 117.35 116.06 1pop s TYR 208 Ca -0.02 -0.16 -0.20 0.00 -1.41 0.00 0.00 57.07 55.28 1pop s TYR 208 Cb -0.05 -0.06 -0.10 0.00 -1.10 0.00 0.00 41.96 40.65 1pop s TYR 208 CO -0.01 -0.25 0.89 -1.25 -2.51 0.00 0.00 175.55 172.42 1pop s PRO 209 N -1.26 4.21 -0.14 -3.49 0.04 -1.26 -1.19 135.00 131.91 1pop s PRO 209 Ca -0.14 1.02 -0.04 0.00 0.04 0.00 0.00 61.00 61.88 1pop s PRO 209 Cb -0.07 -2.32 -0.03 0.00 0.04 0.00 0.00 34.50 32.12 1pop s PRO 209 CO 0.01 0.06 0.01 0.08 0.04 0.00 0.00 177.00 177.20 1pop s VAL 210 N -2.06 4.36 -0.04 -0.36 1.01 0.02 -4.91 120.40 118.41 1pop s VAL 210 Ca 0.58 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.36 1pop s VAL 210 Cb -0.10 -2.90 0.03 0.00 0.00 0.00 0.00 36.38 33.40 1pop s VAL 210 CO 0.15 0.53 0.02 -0.75 0.00 0.00 0.00 175.10 175.05 1pop s LYS 211 N -0.12 0.26 0.00 2.72 2.47 -1.26 -0.55 119.74 123.26 1pop s LYS 211 Ca 0.05 0.17 0.28 0.00 -1.56 0.00 0.00 55.97 54.90 1pop s LYS 211 Cb -0.13 -0.60 0.95 0.00 -1.46 0.00 0.00 37.83 36.59 1pop s LYS 211 CO 0.02 -0.23 1.69 0.09 0.16 0.00 0.00 175.35 177.07