#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pre n PRO 2 N 0.00 1.41 0.05 3.23 -0.02 -1.26 -4.88 135.00 133.53 2pre n PRO 2 Ca 0.00 0.50 -0.03 0.00 -2.02 0.00 0.00 63.50 61.95 2pre n PRO 2 Cb 0.00 -2.00 0.20 0.00 -0.02 0.00 0.00 33.50 31.68 2pre n PRO 2 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2pre h GLU 3 N 1.74 0.37 -3.65 -0.52 5.08 -2.00 -3.45 114.58 112.15 2pre h GLU 3 Ca -0.43 -0.16 -0.15 0.00 -1.00 0.00 0.00 59.36 57.61 2pre h GLU 3 Cb 1.33 -0.01 -0.21 0.00 0.50 0.00 0.00 28.75 30.37 2pre h GLU 3 CO 0.58 0.68 -0.55 1.14 -1.00 0.00 0.00 179.01 179.86 2pre s GLN 4 N -4.28 0.43 -0.05 2.33 -2.07 -1.26 -3.75 119.66 111.01 2pre s GLN 4 Ca -0.06 -0.46 -0.22 0.00 -1.82 0.00 0.00 55.36 52.80 2pre s GLN 4 Cb 0.13 0.17 0.05 0.00 -1.09 0.00 0.00 33.01 32.27 2pre s GLN 4 CO 0.79 -0.10 0.49 -1.50 -1.32 0.00 0.00 175.29 173.65 2pre s ILE 5 N -1.41 0.03 -0.27 3.63 2.07 -0.70 -4.97 121.20 119.59 2pre s ILE 5 Ca -0.15 -0.21 -0.01 0.00 -1.41 0.00 0.00 60.65 58.87 2pre s ILE 5 Cb -0.08 -0.79 0.14 0.00 0.13 0.00 0.00 42.46 41.86 2pre s ILE 5 CO 0.01 -0.12 0.34 -0.62 -1.91 0.00 0.00 174.94 172.65 2pre s ASP 6 N -1.04 0.86 0.55 4.50 -1.08 -1.26 -0.83 116.67 118.37 2pre s ASP 6 Ca -0.11 -0.31 0.37 0.00 -0.52 0.00 0.00 52.55 51.98 2pre s ASP 6 Cb -0.03 0.84 1.92 0.00 -1.46 0.00 0.00 42.92 44.19 2pre s ASP 6 CO 0.06 -0.35 2.12 -0.50 0.52 0.00 0.00 175.17 177.03 2pre h TRP 7 N 8.22 0.00 -0.55 -5.34 4.06 -1.44 0.62 115.95 121.51 2pre h TRP 7 Ca -0.14 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.70 2pre h TRP 7 Cb 1.12 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.26 2pre h TRP 7 CO 0.22 0.00 -0.10 0.00 -3.56 0.00 0.00 178.44 174.99 2pre h ARG 8 N 0.00 1.04 0.00 0.49 3.08 -1.91 -1.04 114.38 116.03 2pre h ARG 8 Ca 0.00 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.67 2pre h ARG 8 Cb 0.10 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2pre h ARG 8 CO 0.00 1.08 0.00 0.87 -1.07 0.00 0.00 179.97 180.85 2pre h LYS 9 N 0.92 0.00 -0.44 0.04 1.57 -1.27 -2.19 116.57 115.20 2pre h LYS 9 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2pre h LYS 9 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 2pre h LYS 9 CO 0.05 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.56 2pre n LYS 10 N -2.34 3.15 -2.66 3.15 5.02 -0.67 -4.97 118.16 118.85 2pre n LYS 10 Ca 0.01 -2.55 -0.19 0.00 -2.02 0.00 0.00 58.31 53.56 2pre n LYS 10 Cb 0.18 -1.63 0.01 0.00 -0.02 0.00 0.00 35.03 33.58 2pre n LYS 10 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pre n GLY 11 N 0.49 -0.38 0.00 0.72 0.00 -0.82 -4.89 105.19 100.32 2pre n GLY 11 Ca 0.19 -0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.26 2pre n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pre n ALA 12 N -2.68 4.11 -3.24 4.61 0.00 -0.48 -4.86 120.51 117.97 2pre n ALA 12 Ca -0.15 -0.51 -0.33 0.00 0.00 0.00 0.00 53.44 52.44 2pre n ALA 12 Cb 0.63 -0.67 -0.14 0.00 0.00 0.00 0.00 19.45 19.27 2pre n ALA 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2pre s VAL 13 N -2.85 3.02 0.71 0.00 1.01 -1.24 -4.09 120.40 116.96 2pre s VAL 13 Ca 0.04 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 2pre s VAL 13 Cb 0.14 -2.29 0.02 0.00 0.00 0.00 0.00 36.38 34.25 2pre s VAL 13 CO 0.77 0.51 1.07 0.42 0.00 0.00 0.00 175.10 177.86 2pre s THR 14 N 0.64 3.86 0.58 3.92 -4.23 -1.26 -4.92 115.64 114.24 2pre s THR 14 Ca -0.07 0.61 -0.18 0.00 -1.18 0.00 0.00 61.69 60.87 2pre s THR 14 Cb -0.15 -3.37 -0.07 0.00 1.34 0.00 0.00 72.50 70.25 2pre s THR 14 CO 0.03 -0.79 0.72 -2.65 -0.54 0.00 0.00 174.62 171.39 2pre n PRO 15 N -3.17 0.69 -1.68 3.99 -0.02 -1.26 -4.89 135.00 128.66 2pre n PRO 15 Ca 0.07 0.27 -0.40 0.00 -2.02 0.00 0.00 63.50 61.43 2pre n PRO 15 Cb 0.54 -1.91 0.03 0.00 -0.02 0.00 0.00 33.50 32.15 2pre n PRO 15 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2pre n VAL 16 N -1.69 3.19 -4.55 -1.45 0.31 -1.26 -5.03 118.33 107.86 2pre n VAL 16 Ca 0.13 -0.50 -0.26 0.00 -0.01 0.00 0.00 64.34 63.70 2pre n VAL 16 Cb 0.47 -1.44 -0.11 0.00 -0.91 0.00 0.00 33.84 31.85 2pre n VAL 16 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2pre s LYS 17 N -2.51 1.83 -0.26 5.55 1.02 -1.26 -4.88 119.74 119.23 2pre s LYS 17 Ca 0.68 -1.96 0.02 0.00 0.02 0.00 0.00 55.97 54.72 2pre s LYS 17 Cb -0.47 -1.65 0.07 0.00 -0.52 0.00 0.00 37.83 35.26 2pre s LYS 17 CO 0.53 0.10 -0.04 1.21 -0.92 0.00 0.00 175.35 176.23 2pre s ASN 18 N -3.62 4.12 0.00 2.83 3.84 -1.26 -1.54 114.94 119.32 2pre s ASN 18 Ca 0.33 -1.41 0.13 0.00 0.21 0.00 0.00 52.86 52.12 2pre s ASN 18 Cb 0.04 -1.29 0.68 0.00 -0.55 0.00 0.00 41.25 40.12 2pre s ASN 18 CO 0.16 -0.26 1.31 0.00 -2.79 0.00 0.00 177.10 175.52 2pre n GLN 19 N 4.57 0.22 0.00 0.43 10.64 -0.10 -4.92 117.38 128.23 2pre n GLN 19 Ca -0.09 0.14 0.00 0.00 -1.83 0.00 0.00 57.00 55.21 2pre n GLN 19 Cb 0.43 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.31 2pre n GLN 19 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2pre n GLY 20 N -0.19 0.92 2.38 2.61 0.00 -1.26 -3.47 105.19 106.19 2pre n GLY 20 Ca 0.07 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 2pre n GLY 20 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pre n LYS 21 N 0.00 3.86 -3.72 1.61 5.02 -1.26 -4.84 118.16 118.83 2pre n LYS 21 Ca 0.00 -2.69 -0.12 0.00 -2.02 0.00 0.00 58.31 53.48 2pre n LYS 21 Cb 0.00 -2.60 -0.12 0.00 -0.02 0.00 0.00 35.03 32.28 2pre n LYS 21 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pre n GLY 23 N 4.18 2.87 0.65 0.00 0.00 0.30 -4.50 105.19 108.69 2pre n GLY 23 Ca -0.24 -1.01 0.07 0.00 0.00 0.00 0.00 46.02 44.84 2pre n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2pre n SER 24 N 5.56 3.09 -0.05 1.61 3.41 -1.26 -2.00 113.62 123.97 2pre n SER 24 Ca 0.46 -3.19 0.24 0.00 -0.26 0.00 0.00 58.87 56.12 2pre n SER 24 Cb 0.24 -0.52 0.72 0.00 -0.26 0.00 0.00 64.21 64.39 2pre n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pre h TRP 26 N 0.00 0.00 0.00 0.00 5.08 -1.85 -2.13 115.95 117.05 2pre h TRP 26 Ca 0.32 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.27 2pre h TRP 26 Cb 1.44 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.60 2pre h TRP 26 CO 0.00 0.22 -0.11 0.00 -1.28 0.00 0.00 178.44 177.27 2pre h ALA 27 N 1.78 0.02 -0.67 0.11 0.00 -0.49 -3.10 119.26 116.90 2pre h ALA 27 Ca -0.00 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.47 2pre h ALA 27 Cb 0.42 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2pre h ALA 27 CO 0.03 0.06 0.41 0.74 0.00 0.00 0.00 179.25 180.49 2pre h PHE 28 N -1.00 0.77 -0.15 0.00 -1.00 -1.41 0.28 116.94 114.42 2pre h PHE 28 Ca -0.03 0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.72 2pre h PHE 28 Cb 0.85 -0.25 -0.00 0.00 3.61 0.00 0.00 35.95 40.16 2pre h PHE 28 CO 0.21 0.43 -0.11 0.66 -1.61 0.00 0.00 178.31 177.89 2pre h SER 29 N 0.80 0.36 0.39 2.17 4.64 -1.56 -2.04 113.55 118.30 2pre h SER 29 Ca 0.27 -0.45 -0.01 0.00 -0.47 0.00 0.00 61.79 61.14 2pre h SER 29 Cb 0.05 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 2pre h SER 29 CO -0.12 0.73 -0.29 0.74 -0.87 0.00 0.00 176.83 177.02 2pre h THR 30 N -0.01 0.40 -0.79 2.95 2.02 -1.42 -2.52 112.91 113.53 2pre h THR 30 Ca 0.03 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.29 2pre h THR 30 Cb 0.61 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 67.36 2pre h THR 30 CO 0.03 0.00 0.52 0.58 0.37 0.00 0.00 175.52 177.02 2pre h VAL 31 N -0.67 1.00 -0.59 3.16 2.07 -0.48 -2.31 116.25 118.44 2pre h VAL 31 Ca -0.03 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 2pre h VAL 31 Cb 0.58 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 2pre h VAL 31 CO 0.00 0.15 0.28 -1.28 0.02 0.00 0.00 177.57 176.74 2pre h SER 32 N 0.81 0.78 0.39 0.57 0.87 -1.07 0.85 113.55 116.75 2pre h SER 32 Ca 0.35 -0.14 -0.07 0.00 -1.23 0.00 0.00 61.79 60.71 2pre h SER 32 Cb 0.31 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 2pre h SER 32 CO -0.13 0.70 -0.32 0.71 -0.53 0.00 0.00 176.83 177.26 2pre h THR 33 N 0.81 1.12 -0.05 2.23 1.35 -1.01 -0.36 112.91 117.00 2pre h THR 33 Ca 0.20 -1.13 -0.03 0.00 -0.55 0.00 0.00 66.41 64.90 2pre h THR 33 Cb 0.13 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 2pre h THR 33 CO -0.02 0.31 -0.10 0.58 -0.25 0.00 0.00 175.52 176.04 2pre h VAL 34 N 0.00 1.42 -0.84 6.82 2.07 -0.87 -1.12 116.25 123.74 2pre h VAL 34 Ca -0.00 -1.40 0.11 0.00 0.82 0.00 0.00 66.70 66.22 2pre h VAL 34 Cb 0.60 2.23 -0.06 0.00 -1.52 0.00 0.00 31.29 32.54 2pre h VAL 34 CO 0.04 0.39 0.54 -0.33 0.02 0.00 0.00 177.57 178.23 2pre h GLU 35 N -0.34 0.72 0.37 1.57 5.08 -0.50 -1.55 114.58 119.92 2pre h GLU 35 Ca 0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2pre h GLU 35 Cb 0.67 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2pre h GLU 35 CO 0.02 0.48 -0.18 0.77 -1.00 0.00 0.00 179.01 179.10 2pre h SER 36 N 0.74 -0.42 -0.67 1.42 0.02 -0.90 -2.55 113.55 111.19 2pre h SER 36 Ca 0.40 -0.14 0.06 0.00 -0.84 0.00 0.00 61.79 61.27 2pre h SER 36 Cb 0.52 0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.13 2pre h SER 36 CO -0.16 0.01 0.44 -0.29 -1.14 0.00 0.00 176.83 175.68 2pre h ILE 37 N -0.95 1.01 -0.77 3.27 6.09 -1.06 -0.64 117.51 124.46 2pre h ILE 37 Ca -0.05 -0.23 -0.04 0.00 -1.37 0.00 0.00 64.86 63.17 2pre h ILE 37 Cb 0.53 0.27 -0.03 0.00 0.47 0.00 0.00 36.82 38.06 2pre h ILE 37 CO 0.08 0.12 0.33 -1.13 -3.07 0.00 0.00 178.15 174.48 2pre h ASN 38 N 0.67 1.04 -0.28 2.19 -1.24 -1.29 -1.36 115.58 115.32 2pre h ASN 38 Ca 0.29 -0.16 -0.19 0.00 0.71 0.00 0.00 56.30 56.95 2pre h ASN 38 Cb 0.28 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 39.06 2pre h ASN 38 CO -0.09 0.91 -0.58 -0.61 -1.29 0.00 0.00 177.43 175.77 2pre h GLN 39 N 1.10 0.88 -0.43 6.67 -0.00 -0.81 0.14 115.11 122.67 2pre h GLN 39 Ca 0.26 -0.58 -0.01 0.00 -0.00 0.00 0.00 58.65 58.32 2pre h GLN 39 Cb 0.18 0.08 -0.02 0.00 0.00 0.00 0.00 27.48 27.72 2pre h GLN 39 CO -0.03 1.21 0.23 0.82 0.00 0.00 0.00 178.83 181.06 2pre h ILE 40 N 0.67 1.14 0.10 2.39 2.04 -0.94 0.19 117.51 123.10 2pre h ILE 40 Ca 0.01 -0.35 -0.33 0.00 1.00 0.00 0.00 64.86 65.19 2pre h ILE 40 Cb 1.19 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 2pre h ILE 40 CO 0.13 0.15 -1.79 0.03 0.00 0.00 0.00 178.15 176.67 2pre h ARG 41 N 0.59 0.22 -0.00 2.37 2.47 -1.14 -3.41 114.38 115.48 2pre h ARG 41 Ca 0.15 -0.37 0.00 0.00 -1.26 0.00 0.00 59.98 58.50 2pre h ARG 41 Cb 0.02 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.48 2pre h ARG 41 CO -0.03 1.18 -0.79 0.25 0.56 0.00 0.00 179.97 181.14 2pre n THR 42 N -3.72 0.00 -0.41 2.04 -2.24 0.49 -4.97 114.28 105.48 2pre n THR 42 Ca -0.31 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2pre n THR 42 Cb 0.96 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 70.22 2pre n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pre n GLY 43 N 1.40 1.84 3.76 3.38 0.00 0.65 -5.01 105.19 111.21 2pre n GLY 43 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 2pre n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2pre s ASN 44 N -3.40 6.36 -0.34 1.61 0.01 -1.25 -4.99 114.94 112.94 2pre s ASN 44 Ca 0.00 0.42 -0.10 0.00 -0.71 0.00 0.00 52.86 52.47 2pre s ASN 44 Cb 0.00 -2.13 0.01 0.00 0.41 0.00 0.00 41.25 39.54 2pre s ASN 44 CO 0.00 0.19 0.17 -0.22 -1.51 0.00 0.00 177.10 175.72 2pre s LEU 45 N 0.13 4.35 -0.03 0.60 2.96 -1.26 -3.15 118.68 122.27 2pre s LEU 45 Ca 0.13 -0.77 0.03 0.00 -0.22 0.00 0.00 54.13 53.30 2pre s LEU 45 Cb -0.12 -1.99 0.00 0.00 0.50 0.00 0.00 46.19 44.58 2pre s LEU 45 CO 0.02 -0.28 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.03 2pre s ILE 46 N 1.57 0.95 -0.29 6.68 1.01 -1.26 -5.10 121.20 124.75 2pre s ILE 46 Ca 0.03 -0.44 -0.24 0.00 0.00 0.00 0.00 60.65 60.00 2pre s ILE 46 Cb -0.18 -0.85 -0.00 0.00 0.01 0.00 0.00 42.46 41.44 2pre s ILE 46 CO 0.06 0.29 0.80 -0.55 0.00 0.00 0.00 174.94 175.54 2pre s SER 47 N 0.22 6.70 0.53 3.58 0.15 -1.26 -4.76 113.70 118.86 2pre s SER 47 Ca -0.05 0.75 0.01 0.00 0.70 0.00 0.00 55.95 57.36 2pre s SER 47 Cb -0.10 -2.42 0.02 0.00 -1.71 0.00 0.00 66.02 61.82 2pre s SER 47 CO 0.01 -0.60 0.76 -0.76 1.20 0.00 0.00 173.24 173.85 2pre s LEU 48 N 2.95 3.35 -0.35 3.45 1.43 -1.26 0.04 118.68 128.30 2pre s LEU 48 Ca 0.33 0.10 -0.19 0.00 -1.03 0.00 0.00 54.13 53.35 2pre s LEU 48 Cb -0.14 -2.97 -0.00 0.00 0.03 0.00 0.00 46.19 43.10 2pre s LEU 48 CO 0.11 -1.04 0.54 -0.55 0.23 0.00 0.00 176.35 175.65 2pre s SER 49 N -4.37 6.35 0.03 2.29 0.15 0.14 -3.69 113.70 114.60 2pre s SER 49 Ca 0.55 0.05 -0.19 0.00 0.70 0.00 0.00 55.95 57.06 2pre s SER 49 Cb -0.10 -2.28 -0.19 0.00 -1.71 0.00 0.00 66.02 61.74 2pre s SER 49 CO 0.39 -0.49 1.20 -0.33 1.20 0.00 0.00 173.24 175.21 2pre h GLU 50 N 8.43 0.48 -0.89 5.44 3.07 -1.89 -3.27 114.58 125.95 2pre h GLU 50 Ca -0.28 -0.41 0.19 0.00 -0.50 0.00 0.00 59.36 58.37 2pre h GLU 50 Cb 1.12 0.09 -0.11 0.00 -0.84 0.00 0.00 28.75 29.01 2pre h GLU 50 CO 0.78 1.04 0.43 0.37 -1.40 0.00 0.00 179.01 180.23 2pre h GLN 51 N 0.05 0.49 0.04 2.33 5.75 -1.84 -0.92 115.11 121.01 2pre h GLN 51 Ca -0.04 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.44 2pre h GLN 51 Cb 1.15 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 29.56 2pre h GLN 51 CO 0.10 0.32 -0.33 0.37 -2.65 0.00 0.00 178.83 176.64 2pre h GLN 52 N 0.50 -0.43 -0.66 1.69 4.15 -1.80 0.94 115.11 119.51 2pre h GLN 52 Ca 0.53 0.03 0.12 0.00 0.77 0.00 0.00 58.65 60.10 2pre h GLN 52 Cb 0.92 0.10 -0.12 0.00 0.21 0.00 0.00 27.48 28.59 2pre h GLN 52 CO -0.46 -0.29 -0.29 -0.07 -1.93 0.00 0.00 178.83 175.79 2pre h LEU 53 N -0.45 -1.03 -0.55 -2.39 3.38 -1.35 0.52 115.31 113.44 2pre h LEU 53 Ca 0.00 0.23 0.11 0.00 0.09 0.00 0.00 57.88 58.31 2pre h LEU 53 Cb 0.47 0.55 -0.10 0.00 0.09 0.00 0.00 40.66 41.66 2pre h LEU 53 CO -0.20 -0.28 -0.12 0.58 0.09 0.00 0.00 178.44 178.50 2pre h VAL 54 N -0.10 0.46 0.09 1.22 2.07 -0.53 -1.86 116.25 117.59 2pre h VAL 54 Ca 0.28 -0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.50 2pre h VAL 54 Cb 0.55 0.45 0.03 0.00 -1.52 0.00 0.00 31.29 30.79 2pre h VAL 54 CO -0.72 0.00 -1.17 0.44 0.02 0.00 0.00 177.57 176.14 2pre h ASP 55 N 0.01 0.88 -0.63 0.57 3.32 0.17 -3.38 116.42 117.37 2pre h ASP 55 Ca 0.27 -0.80 -0.21 0.00 0.02 0.00 0.00 57.03 56.31 2pre h ASP 55 Cb 0.41 -0.28 -0.12 0.00 0.22 0.00 0.00 39.33 39.56 2pre h ASP 55 CO -0.56 1.59 0.21 0.00 -1.72 0.00 0.00 179.24 178.76 2pre n ASN 57 N -0.47 3.50 -0.23 0.00 4.05 -0.71 -4.94 115.26 116.46 2pre n ASN 57 Ca 0.39 -3.47 0.18 0.00 0.45 0.00 0.00 54.58 52.13 2pre n ASN 57 Cb 1.28 -0.60 0.33 0.00 1.23 0.00 0.00 39.78 42.03 2pre n ASN 57 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2pre n LYS 58 N 0.18 -0.05 0.15 1.20 4.76 -1.26 0.78 118.16 123.92 2pre n LYS 58 Ca 0.29 0.98 0.13 0.00 -2.87 0.00 0.00 58.31 56.84 2pre n LYS 58 Cb 0.45 -1.68 0.66 0.00 -1.84 0.00 0.00 35.03 32.61 2pre n LYS 58 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2pre h LYS 59 N 0.00 0.00 0.00 1.97 1.57 -1.97 -3.42 116.57 114.72 2pre h LYS 59 Ca 0.52 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.95 2pre h LYS 59 Cb 1.30 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.63 2pre h LYS 59 CO -0.57 0.00 -0.06 0.09 -0.57 0.00 0.00 179.45 178.34 2pre n ASN 60 N -4.47 1.55 -2.69 0.86 3.02 0.23 -4.91 115.26 108.86 2pre n ASN 60 Ca 0.02 -2.12 -0.23 0.00 -0.03 0.00 0.00 54.58 52.23 2pre n ASN 60 Cb 0.31 -0.29 -0.01 0.00 -0.61 0.00 0.00 39.78 39.18 2pre n ASN 60 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2pre n HIS 61 N -1.88 2.90 0.00 3.10 8.25 0.10 -4.94 115.22 122.75 2pre n HIS 61 Ca 0.11 -3.34 0.00 0.00 -0.26 0.00 0.00 57.72 54.23 2pre n HIS 61 Cb 0.43 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.28 2pre n HIS 61 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2pre n GLY 62 N -0.28 2.70 0.00 -1.41 0.00 -1.25 0.81 105.19 105.75 2pre n GLY 62 Ca 0.31 0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.44 2pre n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pre n LYS 64 N -1.30 3.39 0.00 0.00 5.02 0.24 -0.54 118.16 124.97 2pre n LYS 64 Ca 0.08 -2.46 0.00 0.00 -2.02 0.00 0.00 58.31 53.91 2pre n LYS 64 Cb 0.15 -2.05 0.00 0.00 -0.02 0.00 0.00 35.03 33.11 2pre n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pre n GLY 65 N 0.05 1.72 1.50 0.72 0.00 -0.85 -4.79 105.19 103.55 2pre n GLY 65 Ca 0.31 -2.01 -0.00 0.00 0.00 0.00 0.00 46.02 44.31 2pre n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pre n GLY 66 N 1.39 0.79 3.00 -0.02 0.00 -1.26 0.01 105.19 109.11 2pre n GLY 66 Ca 0.00 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 2pre n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pre s ALA 67 N -1.39 0.33 0.12 4.61 0.00 -1.26 -4.86 121.76 119.30 2pre s ALA 67 Ca 0.10 -0.57 -0.29 0.00 0.00 0.00 0.00 51.96 51.20 2pre s ALA 67 Cb -0.01 0.07 -0.08 0.00 0.00 0.00 0.00 23.12 23.10 2pre s ALA 67 CO 0.01 -0.06 1.61 0.74 0.00 0.00 0.00 175.76 178.06 2pre h PHE 68 N 4.85 -0.98 -0.28 0.00 0.05 -1.99 -2.60 116.94 116.00 2pre h PHE 68 Ca -0.32 0.03 0.07 0.00 3.82 0.00 0.00 57.97 61.56 2pre h PHE 68 Cb 1.20 0.42 -0.08 0.00 2.00 0.00 0.00 35.95 39.50 2pre h PHE 68 CO 0.61 -0.45 -0.31 0.28 -0.18 0.00 0.00 178.31 178.26 2pre h VAL 69 N -0.55 0.28 -0.09 -0.55 2.07 -1.99 -2.06 116.25 113.35 2pre h VAL 69 Ca 0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 2pre h VAL 69 Cb 0.60 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2pre h VAL 69 CO -0.24 0.00 0.05 1.88 0.02 0.00 0.00 177.57 179.28 2pre h TYR 70 N -0.30 0.13 -0.31 1.57 0.05 -1.95 -0.58 116.97 115.58 2pre h TYR 70 Ca 0.14 -0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.96 2pre h TYR 70 Cb 0.53 -0.04 -0.07 0.00 1.01 0.00 0.00 36.73 38.16 2pre h TYR 70 CO -0.47 0.16 -0.49 0.00 -1.05 0.00 0.00 178.16 176.31 2pre h ALA 71 N 0.96 -0.76 -0.27 3.88 0.00 -1.14 0.34 119.26 122.28 2pre h ALA 71 Ca 0.03 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.99 2pre h ALA 71 Cb 0.08 1.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.84 2pre h ALA 71 CO -0.01 -0.98 -0.32 1.88 0.00 0.00 0.00 179.25 179.82 2pre h TYR 72 N -0.39 -0.89 -0.92 0.00 0.99 -1.27 -0.50 116.97 113.99 2pre h TYR 72 Ca 0.06 0.05 0.20 0.00 2.00 0.00 0.00 58.73 61.03 2pre h TYR 72 Cb 0.54 0.43 -0.07 0.00 1.00 0.00 0.00 36.73 38.63 2pre h TYR 72 CO -0.68 -0.39 0.60 0.37 -0.00 0.00 0.00 178.16 178.06 2pre h GLN 73 N -0.32 0.48 0.24 4.88 5.75 0.01 -0.96 115.11 125.19 2pre h GLN 73 Ca 0.13 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.59 2pre h GLN 73 Cb 0.54 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.98 2pre h GLN 73 CO -0.45 0.32 -0.12 -0.92 -2.65 0.00 0.00 178.83 175.01 2pre h TYR 74 N 0.49 -0.30 -1.01 3.99 3.20 0.12 0.91 116.97 124.37 2pre h TYR 74 Ca 0.49 -0.01 0.42 0.00 3.14 0.00 0.00 58.73 62.77 2pre h TYR 74 Cb 1.09 0.10 -0.18 0.00 1.54 0.00 0.00 36.73 39.28 2pre h TYR 74 CO -0.00 -0.19 0.55 -0.89 -1.64 0.00 0.00 178.16 175.99 2pre n ILE 75 N -3.09 -0.41 0.13 1.81 5.41 -0.74 0.81 119.36 123.27 2pre n ILE 75 Ca -0.04 2.01 -0.12 0.00 1.00 0.00 0.00 62.75 65.61 2pre n ILE 75 Cb 0.13 -3.27 -0.07 0.00 -0.71 0.00 0.00 39.64 35.72 2pre n ILE 75 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2pre h ILE 76 N 0.00 0.62 -0.40 1.39 2.04 -1.12 -1.48 117.51 118.56 2pre h ILE 76 Ca 0.85 -0.81 0.05 0.00 1.00 0.00 0.00 64.86 65.95 2pre h ILE 76 Cb 2.26 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 39.27 2pre h ILE 76 CO -0.76 0.14 0.14 0.44 0.00 0.00 0.00 178.15 178.11 2pre h ASP 77 N -0.88 0.15 0.27 1.72 3.32 0.22 -1.17 116.42 120.04 2pre h ASP 77 Ca -0.04 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2pre h ASP 77 Cb 0.51 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.09 2pre h ASP 77 CO 0.06 0.12 0.00 -3.20 -1.72 0.00 0.00 179.24 174.50 2pre n ASN 78 N -5.01 0.10 0.00 6.45 5.15 0.24 -4.86 115.26 117.33 2pre n ASN 78 Ca 0.02 0.53 0.00 0.00 -0.60 0.00 0.00 54.58 54.54 2pre n ASN 78 Cb 0.15 -0.55 0.00 0.00 -0.53 0.00 0.00 39.78 38.85 2pre n ASN 78 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2pre n GLY 79 N -0.74 0.67 0.00 8.20 0.00 -0.44 -4.94 105.19 107.94 2pre n GLY 79 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2pre n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pre n GLY 80 N -2.64 2.30 3.21 -0.02 0.00 -0.57 -4.71 105.19 102.75 2pre n GLY 80 Ca 0.00 -1.45 -0.20 0.00 0.00 0.00 0.00 46.02 44.37 2pre n GLY 80 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2pre s ILE 81 N -1.93 1.32 0.50 -0.61 2.07 0.16 -4.83 121.20 117.88 2pre s ILE 81 Ca 0.00 -1.40 -0.01 0.00 -1.41 0.00 0.00 60.65 57.83 2pre s ILE 81 Cb 0.00 -1.25 0.00 0.00 0.13 0.00 0.00 42.46 41.35 2pre s ILE 81 CO 0.00 -0.18 0.74 -0.62 -1.91 0.00 0.00 174.94 172.97 2pre s ASP 82 N -1.82 5.70 0.69 4.50 -1.08 -1.17 -1.97 116.67 121.51 2pre s ASP 82 Ca 0.01 0.34 -0.11 0.00 -0.52 0.00 0.00 52.55 52.27 2pre s ASP 82 Cb -0.10 -1.48 0.00 0.00 -1.46 0.00 0.00 42.92 39.88 2pre s ASP 82 CO 0.03 -0.84 1.06 0.42 0.52 0.00 0.00 175.17 176.35 2pre s THR 83 N -2.68 4.04 0.52 1.71 -4.23 -1.26 0.28 115.64 114.02 2pre s THR 83 Ca 0.51 0.68 0.19 0.00 -1.18 0.00 0.00 61.69 61.89 2pre s THR 83 Cb -0.10 -3.41 0.27 0.00 1.34 0.00 0.00 72.50 70.60 2pre s THR 83 CO 0.40 -0.85 2.14 -0.08 -0.54 0.00 0.00 174.62 175.69 2pre h GLU 84 N -0.64 0.00 -0.02 3.99 4.57 -0.46 -2.75 114.58 119.27 2pre h GLU 84 Ca -0.44 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.71 2pre h GLU 84 Cb 1.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 2pre h GLU 84 CO 0.57 0.04 -0.12 0.00 -1.18 0.00 0.00 179.01 178.31 2pre h ALA 85 N 1.96 0.04 0.00 2.92 0.00 -1.92 -2.71 119.26 119.56 2pre h ALA 85 Ca -0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 2pre h ALA 85 Cb 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2pre h ALA 85 CO 0.00 -0.03 -0.21 -0.91 0.00 0.00 0.00 179.25 178.11 2pre h ASN 86 N -0.52 0.00 -2.05 0.00 -0.26 -1.93 -3.34 115.58 107.48 2pre h ASN 86 Ca -0.01 0.00 -0.54 0.00 -0.56 0.00 0.00 56.30 55.19 2pre h ASN 86 Cb 0.81 0.00 -0.40 0.00 -1.06 0.00 0.00 38.32 37.67 2pre h ASN 86 CO 0.03 0.21 -1.03 0.00 -1.06 0.00 0.00 177.43 175.58 2pre n TYR 87 N -3.28 0.80 -1.03 1.19 -0.00 -1.05 -5.04 117.16 108.75 2pre n TYR 87 Ca 0.01 -3.77 -0.34 0.00 -0.00 0.00 0.00 57.90 53.79 2pre n TYR 87 Cb 0.47 -0.42 0.10 0.00 -0.00 0.00 0.00 39.34 39.50 2pre n TYR 87 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.86 176.51 2pre n PRO 88 N 0.76 0.02 -2.89 2.98 -0.04 -1.02 -4.54 135.00 130.27 2pre n PRO 88 Ca 0.25 0.06 -0.39 0.00 -0.04 0.00 0.00 63.50 63.37 2pre n PRO 88 Cb 0.55 -1.91 -0.06 0.00 -0.04 0.00 0.00 33.50 32.04 2pre n PRO 88 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2pre s TYR 89 N -2.16 3.92 0.00 0.54 5.04 -1.26 -4.71 117.35 118.72 2pre s TYR 89 Ca 0.62 1.74 0.00 0.00 -2.44 0.00 0.00 57.07 56.99 2pre s TYR 89 Cb -0.28 -2.85 0.00 0.00 0.35 0.00 0.00 41.96 39.18 2pre s TYR 89 CO 0.62 0.47 0.14 1.63 -1.34 0.00 0.00 175.55 177.07 2pre n LYS 90 N 1.47 3.57 -1.61 4.97 4.76 -1.26 -5.01 118.16 125.05 2pre n LYS 90 Ca -0.04 -0.14 -0.17 0.00 -2.87 0.00 0.00 58.31 55.09 2pre n LYS 90 Cb 0.48 -0.59 -0.07 0.00 -1.84 0.00 0.00 35.03 33.02 2pre n LYS 90 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2pre n ALA 91 N -0.55 -0.30 -3.64 7.82 0.00 -1.26 -4.94 120.51 117.64 2pre n ALA 91 Ca 0.00 0.26 -0.08 0.00 0.00 0.00 0.00 53.44 53.62 2pre n ALA 91 Cb 0.01 -1.81 -0.07 0.00 0.00 0.00 0.00 19.45 17.58 2pre n ALA 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2pre s VAL 92 N -2.67 -0.00 0.64 0.00 0.11 -1.26 -4.55 120.40 112.67 2pre s VAL 92 Ca 0.00 0.01 -0.17 0.00 -2.93 0.00 0.00 61.98 58.89 2pre s VAL 92 Cb 0.00 -0.97 -0.01 0.00 -1.53 0.00 0.00 36.38 33.87 2pre s VAL 92 CO 0.00 0.00 1.18 -1.58 -3.33 0.00 0.00 175.10 171.38 2pre s GLN 93 N 1.50 2.73 0.32 1.54 0.74 -1.26 -5.04 119.66 120.19 2pre s GLN 93 Ca -0.09 1.71 -0.11 0.00 0.05 0.00 0.00 55.36 56.92 2pre s GLN 93 Cb -0.05 -1.91 0.02 0.00 1.10 0.00 0.00 33.01 32.16 2pre s GLN 93 CO -0.17 -1.37 0.58 0.20 -0.55 0.00 0.00 175.29 173.98 2pre s GLY 94 N -1.92 0.75 0.46 2.59 0.00 -1.26 -5.07 107.32 102.86 2pre s GLY 94 Ca 0.74 -1.00 -0.25 0.00 0.00 0.00 0.00 44.72 44.21 2pre s GLY 94 CO 0.38 -0.62 1.41 -4.14 0.00 0.00 0.00 173.10 170.13 2pre s PRO 95 N -3.25 3.65 -0.17 2.90 0.02 -1.26 -4.44 135.00 132.44 2pre s PRO 95 Ca 0.22 2.37 -0.29 0.00 0.02 0.00 0.00 61.00 63.32 2pre s PRO 95 Cb -0.02 -2.62 -0.04 0.00 0.02 0.00 0.00 34.50 31.84 2pre s PRO 95 CO 0.13 -0.83 1.80 0.00 -0.33 0.00 0.00 177.00 177.77 2pre s ARG 97 N 4.97 2.33 0.34 0.00 0.52 -1.26 -5.02 118.95 120.83 2pre s ARG 97 Ca 0.80 -0.05 -0.20 0.00 -0.52 0.00 0.00 55.73 55.76 2pre s ARG 97 Cb -0.30 -2.12 -0.10 0.00 0.52 0.00 0.00 34.95 32.96 2pre s ARG 97 CO 0.33 -1.21 0.85 0.00 0.02 0.00 0.00 175.30 175.28 2pre s ALA 98 N -3.29 3.22 0.05 2.13 0.00 -1.26 -5.00 121.76 117.60 2pre s ALA 98 Ca 0.59 0.28 0.01 0.00 0.00 0.00 0.00 51.96 52.85 2pre s ALA 98 Cb -0.11 -2.99 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 2pre s ALA 98 CO 0.46 0.23 -0.06 0.00 0.00 0.00 0.00 175.76 176.40 2pre s ALA 99 N -1.90 0.52 0.15 0.00 0.00 -1.26 -5.08 121.76 114.20 2pre s ALA 99 Ca 0.54 -0.87 -0.30 0.00 0.00 0.00 0.00 51.96 51.33 2pre s ALA 99 Cb -0.13 0.12 -0.07 0.00 0.00 0.00 0.00 23.12 23.04 2pre s ALA 99 CO 0.18 -0.13 0.98 0.15 0.00 0.00 0.00 175.76 176.93 2pre s LYS 100 N -2.20 4.72 -1.27 0.00 1.02 -1.26 -4.95 119.74 115.81 2pre s LYS 100 Ca -0.06 1.50 -0.14 0.00 0.02 0.00 0.00 55.97 57.30 2pre s LYS 100 Cb -0.05 -3.34 0.14 0.00 -0.52 0.00 0.00 37.83 34.06 2pre s LYS 100 CO -0.02 0.27 1.66 1.63 -0.92 0.00 0.00 175.35 177.97 2pre n LYS 101 N 2.40 3.35 -0.02 1.68 5.02 -1.26 -3.06 118.16 126.26 2pre n LYS 101 Ca 0.01 -3.56 -0.13 0.00 -2.02 0.00 0.00 58.31 52.61 2pre n LYS 101 Cb 0.48 -3.13 -0.10 0.00 -0.02 0.00 0.00 35.03 32.26 2pre n LYS 101 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2pre h VAL 102 N 4.58 1.45 -4.13 -0.18 2.07 -1.75 -3.45 116.25 114.83 2pre h VAL 102 Ca 0.38 -1.38 -0.66 0.00 0.82 0.00 0.00 66.70 65.86 2pre h VAL 102 Cb 0.80 2.38 -0.31 0.00 -1.52 0.00 0.00 31.29 32.64 2pre h VAL 102 CO 1.43 0.36 -0.87 -0.69 0.02 0.00 0.00 177.57 177.81 2pre s VAL 103 N -3.83 1.90 0.17 2.57 1.01 -0.89 -4.94 120.40 116.40 2pre s VAL 103 Ca -0.16 -0.99 0.08 0.00 0.00 0.00 0.00 61.98 60.91 2pre s VAL 103 Cb 0.01 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 2pre s VAL 103 CO 0.67 0.53 -0.18 0.00 0.00 0.00 0.00 175.10 176.13 2pre s ARG 104 N -0.23 1.29 0.07 2.72 1.04 -1.26 0.38 118.95 122.95 2pre s ARG 104 Ca -0.00 -1.44 0.03 0.00 -1.04 0.00 0.00 55.73 53.28 2pre s ARG 104 Cb -0.12 -1.31 -0.03 0.00 -2.04 0.00 0.00 34.95 31.44 2pre s ARG 104 CO 0.02 0.26 -0.09 0.96 -0.04 0.00 0.00 175.30 176.41 2pre s ILE 105 N -2.17 0.74 -0.08 4.99 -4.36 -1.26 -4.96 121.20 114.10 2pre s ILE 105 Ca 0.17 -1.37 0.14 0.00 -0.26 0.00 0.00 60.65 59.34 2pre s ILE 105 Cb -0.05 -1.01 -0.19 0.00 1.25 0.00 0.00 42.46 42.47 2pre s ILE 105 CO 0.07 -0.47 0.74 0.44 0.24 0.00 0.00 174.94 175.96 2pre h ASP 106 N 4.03 0.00 -0.13 4.36 3.32 -0.77 -3.43 116.42 123.79 2pre h ASP 106 Ca -0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.68 2pre h ASP 106 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2pre h ASP 106 CO 0.47 0.82 0.00 0.61 -1.72 0.00 0.00 179.24 179.41 2pre n GLY 107 N 1.48 0.78 3.27 2.75 0.00 -0.84 -4.97 105.19 107.67 2pre n GLY 107 Ca -0.13 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 2pre n GLY 107 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2pre s TYR 108 N -2.98 -0.20 0.05 1.61 -0.85 -1.26 0.17 117.35 113.89 2pre s TYR 108 Ca 0.00 0.22 0.04 0.00 -0.52 0.00 0.00 57.07 56.80 2pre s TYR 108 Cb 0.00 0.14 -0.02 0.00 0.38 0.00 0.00 41.96 42.45 2pre s TYR 108 CO 0.00 -0.47 -0.11 0.15 -1.52 0.00 0.00 175.55 173.60 2pre s LYS 109 N -1.91 0.68 0.13 -3.49 -0.14 -0.54 -4.91 119.74 109.56 2pre s LYS 109 Ca -0.09 -0.81 -0.12 0.00 -1.36 0.00 0.00 55.97 53.58 2pre s LYS 109 Cb -0.03 -0.57 -0.07 0.00 -1.68 0.00 0.00 37.83 35.48 2pre s LYS 109 CO 0.01 0.12 0.50 0.20 -0.76 0.00 0.00 175.35 175.42 2pre s GLY 110 N -1.54 2.41 -0.05 -3.33 0.00 -1.26 -2.48 107.32 101.08 2pre s GLY 110 Ca -0.05 -0.22 -0.13 0.00 0.00 0.00 0.00 44.72 44.31 2pre s GLY 110 CO 0.01 0.03 0.34 0.14 0.00 0.00 0.00 173.10 173.62 2pre s VAL 111 N -1.46 5.16 0.10 1.40 1.01 -0.78 -4.98 120.40 120.85 2pre s VAL 111 Ca 0.37 0.68 -0.36 0.00 0.00 0.00 0.00 61.98 62.67 2pre s VAL 111 Cb -0.14 -3.64 -0.15 0.00 0.00 0.00 0.00 36.38 32.44 2pre s VAL 111 CO 0.19 0.56 1.46 -2.65 0.00 0.00 0.00 175.10 174.66 2pre n PRO 112 N 2.10 1.58 -1.61 2.72 -0.02 -1.26 -4.49 135.00 134.01 2pre n PRO 112 Ca -0.15 0.57 -0.42 0.00 -2.02 0.00 0.00 63.50 61.48 2pre n PRO 112 Cb 0.53 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 2pre n PRO 112 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2pre n HIS 113 N 3.10 1.29 -3.99 6.00 8.25 -1.26 -3.51 115.22 125.10 2pre n HIS 113 Ca 0.18 0.58 -0.34 0.00 -0.26 0.00 0.00 57.72 57.89 2pre n HIS 113 Cb 0.23 -2.25 -0.01 0.00 1.12 0.00 0.00 29.99 29.08 2pre n HIS 113 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pre s ASN 115 N -3.92 2.52 0.60 0.00 3.84 -1.23 -4.62 114.94 112.13 2pre s ASN 115 Ca 0.27 -2.14 0.39 0.00 0.21 0.00 0.00 52.86 51.59 2pre s ASN 115 Cb -0.15 -0.22 1.93 0.00 -0.55 0.00 0.00 41.25 42.26 2pre s ASN 115 CO 0.77 -0.29 2.18 -0.33 -2.79 0.00 0.00 177.10 176.64 2pre h GLU 116 N 6.91 0.00 0.07 0.43 5.08 -1.89 -2.52 114.58 122.66 2pre h GLU 116 Ca 0.07 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2pre h GLU 116 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 2pre h GLU 116 CO 0.26 0.00 -0.04 -0.91 -1.00 0.00 0.00 179.01 177.32 2pre h ASN 117 N 0.00 -0.08 -0.85 1.42 -0.26 -1.97 -0.87 115.58 112.96 2pre h ASN 117 Ca 0.00 -0.38 0.11 0.00 -0.56 0.00 0.00 56.30 55.47 2pre h ASN 117 Cb 0.23 0.02 -0.08 0.00 -1.06 0.00 0.00 38.32 37.43 2pre h ASN 117 CO 0.00 0.35 0.48 0.00 -1.06 0.00 0.00 177.43 177.20 2pre h ALA 118 N 0.34 1.24 -0.67 -0.83 0.00 -1.85 0.11 119.26 117.60 2pre h ALA 118 Ca -0.01 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2pre h ALA 118 Cb 0.45 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2pre h ALA 118 CO 0.02 0.07 0.19 1.25 0.00 0.00 0.00 179.25 180.78 2pre h LEU 119 N 0.78 0.96 -0.58 0.00 5.85 -1.35 -0.52 115.31 120.45 2pre h LEU 119 Ca 0.42 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.93 2pre h LEU 119 Cb 0.44 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 2pre h LEU 119 CO -0.27 0.91 0.20 0.50 -0.34 0.00 0.00 178.44 179.44 2pre h LYS 120 N 0.99 0.88 -0.95 1.25 3.64 0.36 0.10 116.57 122.84 2pre h LYS 120 Ca 0.22 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2pre h LYS 120 Cb 0.30 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 31.94 2pre h LYS 120 CO -0.01 0.78 0.58 -0.22 -2.27 0.00 0.00 179.45 178.31 2pre h LYS 121 N 0.81 1.29 0.19 1.90 3.64 -0.47 -0.52 116.57 123.40 2pre h LYS 121 Ca 0.19 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 2pre h LYS 121 Cb 0.25 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2pre h LYS 121 CO -0.01 0.90 -0.09 0.00 -2.27 0.00 0.00 179.45 177.98 2pre h ALA 122 N 1.32 -0.25 -0.73 5.00 0.00 -0.63 -2.98 119.26 120.99 2pre h ALA 122 Ca 0.34 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.14 2pre h ALA 122 Cb -0.07 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 2pre h ALA 122 CO -0.07 -0.42 0.48 0.28 0.00 0.00 0.00 179.25 179.52 2pre h VAL 123 N -0.69 0.96 0.00 0.00 2.07 -0.71 0.24 116.25 118.12 2pre h VAL 123 Ca -0.03 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 2pre h VAL 123 Cb 0.49 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2pre h VAL 123 CO 0.04 0.12 -0.07 0.00 0.02 0.00 0.00 177.57 177.68 2pre h ALA 124 N 1.62 1.63 0.04 1.67 0.00 -1.03 -2.76 119.26 120.44 2pre h ALA 124 Ca 0.33 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 2pre h ALA 124 Cb 0.42 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2pre h ALA 124 CO -0.12 0.09 -0.64 0.77 0.00 0.00 0.00 179.25 179.36 2pre h SER 125 N 0.00 0.13 -4.31 0.00 0.02 -0.45 -3.49 113.55 105.44 2pre h SER 125 Ca -0.00 -0.86 0.11 0.00 -0.84 0.00 0.00 61.79 60.20 2pre h SER 125 Cb 0.15 -0.04 -0.20 0.00 0.14 0.00 0.00 62.40 62.45 2pre h SER 125 CO 0.01 1.27 0.56 0.00 -1.14 0.00 0.00 176.83 177.53 2pre s GLN 126 N -2.33 0.64 0.49 3.45 0.00 -0.12 -5.10 119.66 116.69 2pre s GLN 126 Ca -0.21 -0.05 -0.21 0.00 -0.00 0.00 0.00 55.36 54.90 2pre s GLN 126 Cb 0.01 0.30 -0.10 0.00 0.00 0.00 0.00 33.01 33.22 2pre s GLN 126 CO 0.70 -0.24 0.72 -2.30 0.00 0.00 0.00 175.29 174.17 2pre n PRO 127 N 0.28 0.80 -4.19 9.60 -0.02 -1.26 -3.89 135.00 136.32 2pre n PRO 127 Ca -0.08 0.30 -0.16 0.00 -2.02 0.00 0.00 63.50 61.53 2pre n PRO 127 Cb 0.59 -1.80 -0.11 0.00 -0.02 0.00 0.00 33.50 32.17 2pre n PRO 127 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2pre s SER 128 N -1.01 1.60 0.23 2.55 0.01 -0.96 -4.80 113.70 111.32 2pre s SER 128 Ca 0.67 -0.77 -0.11 0.00 1.31 0.00 0.00 55.95 57.05 2pre s SER 128 Cb -0.52 -0.02 -0.07 0.00 0.21 0.00 0.00 66.02 65.62 2pre s SER 128 CO 0.55 -0.20 0.58 0.68 0.41 0.00 0.00 173.24 175.26 2pre s VAL 129 N -2.12 4.87 0.06 3.43 -7.23 0.44 0.08 120.40 119.94 2pre s VAL 129 Ca 0.04 0.62 -0.13 0.00 -1.81 0.00 0.00 61.98 60.70 2pre s VAL 129 Cb -0.05 -3.64 0.02 0.00 0.56 0.00 0.00 36.38 33.27 2pre s VAL 129 CO 0.01 -0.04 0.28 0.68 -0.31 0.00 0.00 175.10 175.73 2pre s VAL 130 N -1.79 0.09 -0.14 1.32 -7.23 -0.21 -1.60 120.40 110.84 2pre s VAL 130 Ca 0.47 -0.77 -0.03 0.00 -1.81 0.00 0.00 61.98 59.84 2pre s VAL 130 Cb -0.12 -1.01 -0.03 0.00 0.56 0.00 0.00 36.38 35.79 2pre s VAL 130 CO 0.20 -0.42 -0.04 0.00 -0.31 0.00 0.00 175.10 174.53 2pre s ALA 131 N -2.84 2.99 0.14 1.32 0.00 -1.25 -1.17 121.76 120.96 2pre s ALA 131 Ca -0.03 -0.83 0.05 0.00 0.00 0.00 0.00 51.96 51.15 2pre s ALA 131 Cb 0.00 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.58 2pre s ALA 131 CO -0.05 0.27 -0.10 0.96 0.00 0.00 0.00 175.76 176.83 2pre s ILE 132 N 0.19 1.17 -0.59 0.00 -4.36 -0.19 -3.76 121.20 113.66 2pre s ILE 132 Ca -0.02 -2.01 -0.24 0.00 -0.26 0.00 0.00 60.65 58.11 2pre s ILE 132 Cb -0.14 -1.80 0.05 0.00 1.25 0.00 0.00 42.46 41.82 2pre s ILE 132 CO 0.03 -0.71 0.98 -0.62 0.24 0.00 0.00 174.94 174.86 2pre s ASP 133 N -3.08 6.29 -0.24 4.36 -1.08 -0.35 -1.60 116.67 120.97 2pre s ASP 133 Ca 0.15 -0.48 0.14 0.00 -0.52 0.00 0.00 52.55 51.85 2pre s ASP 133 Cb 0.02 -2.45 0.70 0.00 -1.46 0.00 0.00 42.92 39.73 2pre s ASP 133 CO 0.01 -1.33 1.65 0.00 0.52 0.00 0.00 175.17 176.01 2pre n ALA 134 N 7.71 3.78 0.19 3.66 0.00 -1.26 -4.60 120.51 130.00 2pre n ALA 134 Ca 0.01 -2.21 0.12 0.00 0.00 0.00 0.00 53.44 51.35 2pre n ALA 134 Cb 0.47 -1.00 0.13 0.00 0.00 0.00 0.00 19.45 19.05 2pre n ALA 134 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2pre h SER 135 N 2.84 0.00 -4.13 0.00 4.64 -1.90 -3.41 113.55 111.59 2pre h SER 135 Ca 0.07 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.88 2pre h SER 135 Cb 1.88 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 64.06 2pre h SER 135 CO 0.46 0.01 0.42 -0.94 -0.87 0.00 0.00 176.83 175.91 2pre s SER 136 N -6.03 5.37 0.16 4.97 1.04 -1.26 -4.92 113.70 113.03 2pre s SER 136 Ca 0.05 2.17 -0.09 0.00 0.48 0.00 0.00 55.95 58.57 2pre s SER 136 Cb 0.06 -2.58 0.01 0.00 0.10 0.00 0.00 66.02 63.61 2pre s SER 136 CO 0.70 -1.46 1.49 0.07 0.98 0.00 0.00 173.24 175.02 2pre h LYS 137 N 0.73 0.83 -0.58 4.02 2.10 -1.91 -2.28 116.57 119.48 2pre h LYS 137 Ca -0.49 -0.46 0.07 0.00 -2.00 0.00 0.00 60.65 57.77 2pre h LYS 137 Cb 1.27 0.03 -0.06 0.00 -0.90 0.00 0.00 32.23 32.57 2pre h LYS 137 CO 0.55 1.10 0.27 1.96 -2.00 0.00 0.00 179.45 181.33 2pre h GLN 138 N 0.66 0.48 0.23 0.07 7.50 -1.92 0.35 115.11 122.48 2pre h GLN 138 Ca 0.04 -0.03 -0.01 0.00 0.50 0.00 0.00 58.65 59.15 2pre h GLN 138 Cb 1.02 -0.11 0.00 0.00 0.05 0.00 0.00 27.48 28.44 2pre h GLN 138 CO 0.10 0.32 -0.11 0.35 -1.50 0.00 0.00 178.83 177.99 2pre h PHE 139 N 0.50 -0.28 -0.33 2.96 3.04 -1.79 -0.36 116.94 120.68 2pre h PHE 139 Ca 0.27 -0.01 0.09 0.00 3.98 0.00 0.00 57.97 62.31 2pre h PHE 139 Cb 0.24 0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.83 2pre h PHE 139 CO -0.12 -0.01 0.25 1.96 -2.02 0.00 0.00 178.31 178.37 2pre h GLN 140 N -0.54 0.00 -0.59 1.11 4.20 -0.80 0.16 115.11 118.65 2pre h GLN 140 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2pre h GLN 140 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2pre h GLN 140 CO 0.05 0.00 0.00 0.72 -0.67 0.00 0.00 178.83 178.93 2pre n HIS 141 N -4.30 1.20 -1.66 2.96 8.25 0.12 -4.98 115.22 116.81 2pre n HIS 141 Ca 0.05 -0.60 -0.47 0.00 -0.26 0.00 0.00 57.72 56.45 2pre n HIS 141 Cb 0.42 -0.17 -0.04 0.00 1.12 0.00 0.00 29.99 31.31 2pre n HIS 141 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2pre n TYR 142 N 1.00 2.21 -0.01 4.41 9.36 0.56 -4.88 117.16 129.82 2pre n TYR 142 Ca 0.23 0.29 -0.01 0.00 3.32 0.00 0.00 57.90 61.73 2pre n TYR 142 Cb 0.78 -2.53 -0.01 0.00 -0.63 0.00 0.00 39.34 36.95 2pre n TYR 142 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2pre n LYS 143 N 3.51 3.10 -3.66 2.98 5.02 -1.26 -2.33 118.16 125.53 2pre n LYS 143 Ca 0.17 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.45 2pre n LYS 143 Cb 0.28 -1.03 -0.01 0.00 -0.02 0.00 0.00 35.03 34.25 2pre n LYS 143 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2pre s SER 144 N -3.31 -0.13 0.00 4.39 1.04 -1.26 -3.44 113.70 110.99 2pre s SER 144 Ca -0.01 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.22 2pre s SER 144 Cb 0.00 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.41 2pre s SER 144 CO 0.04 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.34 2pre n GLY 145 N -0.42 -0.54 3.56 7.32 0.00 -1.26 -4.74 105.19 109.10 2pre n GLY 145 Ca -0.07 -1.75 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 2pre n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pre s ILE 146 N -1.56 3.82 0.19 -0.61 1.01 -1.26 -4.23 121.20 118.56 2pre s ILE 146 Ca 0.00 -0.24 -0.33 0.00 0.00 0.00 0.00 60.65 60.08 2pre s ILE 146 Cb 0.00 -4.96 -0.13 0.00 0.01 0.00 0.00 42.46 37.37 2pre s ILE 146 CO 0.00 -1.87 1.63 0.33 0.00 0.00 0.00 174.94 175.03 2pre n PHE 147 N 9.25 2.48 -1.71 3.97 7.35 0.38 -4.73 117.46 134.46 2pre n PHE 147 Ca 0.20 0.18 0.05 0.00 -0.76 0.00 0.00 57.45 57.13 2pre n PHE 147 Cb 0.50 -2.59 0.10 0.00 0.35 0.00 0.00 39.48 37.84 2pre n PHE 147 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 2pre n SER 148 N 3.54 1.35 0.00 -2.13 3.41 -1.26 -1.35 113.62 117.18 2pre n SER 148 Ca 0.16 -2.82 0.00 0.00 -0.26 0.00 0.00 58.87 55.96 2pre n SER 148 Cb 0.32 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 2pre n SER 148 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pre n GLY 149 N -0.63 -2.04 3.87 5.00 0.00 -1.26 -4.95 105.19 105.17 2pre n GLY 149 Ca 0.11 -2.18 -0.31 0.00 0.00 0.00 0.00 46.02 43.64 2pre n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pre s PRO 150 N -0.68 3.76 -0.30 1.61 0.04 -1.26 -4.95 135.00 133.22 2pre s PRO 150 Ca 0.00 0.69 -0.24 0.00 0.04 0.00 0.00 61.00 61.49 2pre s PRO 150 Cb 0.00 -2.21 0.19 0.00 0.04 0.00 0.00 34.50 32.52 2pre s PRO 150 CO 0.00 -0.29 1.42 0.00 0.04 0.00 0.00 177.00 178.17 2pre n GLY 152 N 1.74 -0.89 0.20 0.00 0.00 -1.26 -4.27 105.19 100.72 2pre n GLY 152 Ca -0.11 -1.58 0.09 0.00 0.00 0.00 0.00 46.02 44.42 2pre n GLY 152 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pre n THR 153 N -0.08 1.97 -2.61 2.61 -2.24 -1.26 -3.83 114.28 108.85 2pre n THR 153 Ca 0.00 -2.51 -0.43 0.00 -2.27 0.00 0.00 64.05 58.84 2pre n THR 153 Cb 0.00 -0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 67.97 2pre n THR 153 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2pre s LYS 154 N -2.97 3.90 -0.26 -0.78 1.02 -1.26 -4.80 119.74 114.59 2pre s LYS 154 Ca 0.33 0.85 -0.29 0.00 0.02 0.00 0.00 55.97 56.89 2pre s LYS 154 Cb 0.30 -3.83 -0.01 0.00 -0.52 0.00 0.00 37.83 33.78 2pre s LYS 154 CO 0.00 -1.14 1.42 -0.51 -0.92 0.00 0.00 175.35 174.20 2pre s LEU 155 N 4.09 3.91 0.00 3.17 1.43 -1.26 -3.36 118.68 126.65 2pre s LEU 155 Ca 0.47 1.40 0.00 0.00 -1.03 0.00 0.00 54.13 54.98 2pre s LEU 155 Cb -0.10 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.58 2pre s LEU 155 CO 0.23 -1.13 0.00 -0.46 0.23 0.00 0.00 176.35 175.23 2pre n ASN 156 N 7.87 0.00 -3.98 2.29 0.23 -1.05 -4.98 115.26 115.64 2pre n ASN 156 Ca 0.16 -0.37 -0.18 0.00 -0.53 0.00 0.00 54.58 53.66 2pre n ASN 156 Cb 0.46 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 38.01 2pre n ASN 156 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 2pre s HIS 157 N 0.00 0.68 -0.19 -2.53 5.04 -0.63 -4.91 115.29 112.74 2pre s HIS 157 Ca 0.00 -0.14 -0.06 0.00 -1.54 0.00 0.00 55.06 53.33 2pre s HIS 157 Cb 0.00 -0.47 -0.03 0.00 0.04 0.00 0.00 32.58 32.12 2pre s HIS 157 CO 0.00 -0.04 0.01 0.20 -2.34 0.00 0.00 174.74 172.57 2pre s GLY 158 N 0.01 1.76 0.13 1.59 0.00 -1.26 -1.03 107.32 108.53 2pre s GLY 158 Ca 0.00 -0.92 0.02 0.00 0.00 0.00 0.00 44.72 43.82 2pre s GLY 158 CO -0.00 0.17 0.07 3.33 0.00 0.00 0.00 173.10 176.67 2pre n VAL 159 N 4.03 0.00 -4.68 1.40 0.24 -0.31 -4.61 118.33 114.39 2pre n VAL 159 Ca -0.17 -0.85 -0.23 0.00 -2.04 0.00 0.00 64.34 61.05 2pre n VAL 159 Cb 0.52 0.35 -0.15 0.00 -1.47 0.00 0.00 33.84 33.08 2pre n VAL 159 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2pre s VAL 160 N -2.22 1.16 -0.42 3.34 1.01 -1.03 -1.04 120.40 121.19 2pre s VAL 160 Ca 0.10 -0.62 -0.15 0.00 0.00 0.00 0.00 61.98 61.31 2pre s VAL 160 Cb 0.00 -0.97 0.03 0.00 0.00 0.00 0.00 36.38 35.44 2pre s VAL 160 CO 0.07 0.33 0.32 -0.63 0.00 0.00 0.00 175.10 175.19 2pre s ILE 161 N -0.26 5.25 -2.53 2.22 1.01 0.11 0.09 121.20 127.09 2pre s ILE 161 Ca 0.04 -0.74 0.23 0.00 0.00 0.00 0.00 60.65 60.18 2pre s ILE 161 Cb -0.07 -3.97 0.40 0.00 0.01 0.00 0.00 42.46 38.83 2pre s ILE 161 CO -0.00 -0.37 1.45 1.33 0.00 0.00 0.00 174.94 177.35 2pre n VAL 162 N 5.17 0.26 0.00 2.92 0.24 0.14 -2.26 118.33 124.80 2pre n VAL 162 Ca -0.11 -0.53 0.00 0.00 -2.04 0.00 0.00 64.34 61.66 2pre n VAL 162 Cb 0.46 0.86 0.00 0.00 -1.47 0.00 0.00 33.84 33.70 2pre n VAL 162 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pre n GLY 163 N 1.33 -0.69 3.53 7.63 0.00 -1.21 -0.96 105.19 114.82 2pre n GLY 163 Ca 0.17 -1.19 -0.10 0.00 0.00 0.00 0.00 46.02 44.90 2pre n GLY 163 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2pre s TYR 164 N -2.00 -0.21 0.31 1.61 -0.85 -0.01 0.01 117.35 116.21 2pre s TYR 164 Ca 0.00 -0.12 0.03 0.00 -0.52 0.00 0.00 57.07 56.45 2pre s TYR 164 Cb 0.00 0.45 -0.04 0.00 0.38 0.00 0.00 41.96 42.74 2pre s TYR 164 CO 0.00 -0.93 0.12 -1.58 -1.52 0.00 0.00 175.55 171.64 2pre s TRP 165 N -3.85 1.66 0.34 -3.49 0.52 -0.32 -1.72 118.94 112.08 2pre s TRP 165 Ca 0.08 -1.23 0.13 0.00 0.02 0.00 0.00 56.10 55.10 2pre s TRP 165 Cb -0.01 -0.98 1.08 0.00 -1.15 0.00 0.00 33.47 32.40 2pre s TRP 165 CO -0.04 -0.34 1.62 -0.22 0.02 0.00 0.00 176.95 177.98 2pre h LYS 166 N 2.20 0.13 0.00 4.98 3.64 -1.98 -2.83 116.57 122.72 2pre h LYS 166 Ca -0.37 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 2pre h LYS 166 Cb 1.25 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2pre h LYS 166 CO 0.59 0.09 -0.06 -0.40 -2.27 0.00 0.00 179.45 177.39 2pre n ASP 167 N -5.22 2.00 -3.46 4.20 3.85 -1.26 -4.92 116.55 111.72 2pre n ASP 167 Ca 0.31 -2.85 -0.14 0.00 -0.71 0.00 0.00 54.79 51.40 2pre n ASP 167 Cb 1.02 -0.37 -0.03 0.00 -1.35 0.00 0.00 41.12 40.39 2pre n ASP 167 CO 0.00 0.00 0.00 -0.72 -1.01 0.00 0.00 177.20 175.47 2pre s TYR 168 N -2.35 -0.56 -0.08 2.11 -0.85 -1.07 -0.60 117.35 113.96 2pre s TYR 168 Ca 0.25 0.59 -0.05 0.00 -0.52 0.00 0.00 57.07 57.34 2pre s TYR 168 Cb 0.22 0.51 -0.04 0.00 0.38 0.00 0.00 41.96 43.03 2pre s TYR 168 CO 0.02 -0.73 0.16 -1.58 -1.52 0.00 0.00 175.55 171.90 2pre s TRP 169 N -2.78 3.58 -0.51 -3.49 0.52 0.16 -1.17 118.94 115.25 2pre s TRP 169 Ca -0.03 0.46 -0.18 0.00 0.02 0.00 0.00 56.10 56.38 2pre s TRP 169 Cb -0.01 -1.89 0.07 0.00 -1.15 0.00 0.00 33.47 30.49 2pre s TRP 169 CO -0.05 0.70 0.55 0.42 0.02 0.00 0.00 176.95 178.59 2pre s ILE 170 N -1.15 5.02 -0.13 2.03 1.01 0.10 -1.28 121.20 126.80 2pre s ILE 170 Ca 0.20 -0.83 -0.07 0.00 0.00 0.00 0.00 60.65 59.94 2pre s ILE 170 Cb -0.12 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 2pre s ILE 170 CO 0.10 -0.78 0.13 -0.69 0.00 0.00 0.00 174.94 173.70 2pre s VAL 171 N 2.22 5.44 -0.23 2.92 1.01 -0.72 -0.69 120.40 130.35 2pre s VAL 171 Ca 0.10 0.19 -0.07 0.00 0.00 0.00 0.00 61.98 62.19 2pre s VAL 171 Cb -0.22 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 2pre s VAL 171 CO 0.09 0.59 0.07 -0.60 0.00 0.00 0.00 175.10 175.25 2pre s ARG 172 N -0.82 3.73 0.36 2.72 3.52 0.11 -1.53 118.95 127.04 2pre s ARG 172 Ca 0.14 -0.45 0.07 0.00 -0.13 0.00 0.00 55.73 55.36 2pre s ARG 172 Cb -0.12 -3.29 -0.02 0.00 -1.56 0.00 0.00 34.95 29.97 2pre s ARG 172 CO 0.03 -0.07 0.39 1.21 -0.81 0.00 0.00 175.30 176.05 2pre s ASN 173 N 1.29 5.47 -0.48 -2.12 3.84 -1.10 -2.47 114.94 119.36 2pre s ASN 173 Ca 0.05 -0.45 0.04 0.00 0.21 0.00 0.00 52.86 52.71 2pre s ASN 173 Cb -0.15 -0.94 0.42 0.00 -0.55 0.00 0.00 41.25 40.04 2pre s ASN 173 CO 0.03 -0.47 1.36 -1.54 -2.79 0.00 0.00 177.10 173.70 2pre n SER 174 N -1.53 5.50 -0.49 -4.21 3.41 -1.26 -4.61 113.62 110.43 2pre n SER 174 Ca 0.01 -3.75 0.07 0.00 -0.26 0.00 0.00 58.87 54.93 2pre n SER 174 Cb 0.60 -0.57 0.19 0.00 -0.26 0.00 0.00 64.21 64.16 2pre n SER 174 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2pre n TRP 175 N -0.60 0.22 0.00 7.33 8.01 -1.19 -0.93 117.44 130.28 2pre n TRP 175 Ca 0.45 -1.26 0.00 0.00 -1.31 0.00 0.00 57.50 55.38 2pre n TRP 175 Cb 0.68 -0.25 0.00 0.00 -2.01 0.00 0.00 31.31 29.73 2pre n TRP 175 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2pre n GLY 176 N -1.19 -1.02 0.05 6.99 0.00 -0.59 -4.55 105.19 104.88 2pre n GLY 176 Ca 0.20 -1.64 0.13 0.00 0.00 0.00 0.00 46.02 44.71 2pre n GLY 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pre n ARG 177 N -0.97 0.19 -0.30 1.61 1.74 -1.26 -3.72 116.66 113.96 2pre n ARG 177 Ca 0.00 0.09 0.03 0.00 -0.77 0.00 0.00 57.85 57.21 2pre n ARG 177 Cb 0.00 -1.66 0.15 0.00 -1.02 0.00 0.00 32.46 29.93 2pre n ARG 177 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2pre n TYR 178 N -1.96 0.70 -5.10 -1.55 4.02 -1.26 -3.16 117.16 108.84 2pre n TYR 178 Ca 0.05 -0.26 -0.30 0.00 -0.01 0.00 0.00 57.90 57.38 2pre n TYR 178 Cb 0.40 -0.19 -0.15 0.00 -0.02 0.00 0.00 39.34 39.38 2pre n TYR 178 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 2pre s TRP 179 N -1.67 2.26 0.00 -0.72 -0.00 -1.25 -5.00 118.94 112.56 2pre s TRP 179 Ca 0.21 -0.42 0.00 0.00 -0.00 0.00 0.00 56.10 55.89 2pre s TRP 179 Cb 0.15 -1.41 0.00 0.00 -0.00 0.00 0.00 33.47 32.20 2pre s TRP 179 CO 0.08 0.03 0.00 0.41 -0.00 0.00 0.00 176.95 177.47 2pre n GLY 180 N 2.17 1.87 3.19 5.86 0.00 -0.98 -1.02 105.19 116.28 2pre n GLY 180 Ca -0.16 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 2pre n GLY 180 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2pre n GLU 181 N 9.36 3.59 -3.47 1.61 1.02 0.92 -4.42 120.64 129.25 2pre n GLU 181 Ca 0.00 -3.86 -0.21 0.00 -0.02 0.00 0.00 57.16 53.07 2pre n GLU 181 Cb 0.00 -2.90 0.07 0.00 -0.02 0.00 0.00 31.44 28.59 2pre n GLU 181 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2pre n GLN 182 N 4.27 -7.06 0.00 3.49 1.13 -1.23 -2.63 117.38 115.35 2pre n GLN 182 Ca 0.36 0.73 0.00 0.00 -1.94 0.00 0.00 57.00 56.15 2pre n GLN 182 Cb 0.39 -5.49 0.00 0.00 0.11 0.00 0.00 30.24 25.25 2pre n GLN 182 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pre n GLY 183 N -1.84 2.97 3.91 1.08 0.00 -0.19 -4.65 105.19 106.47 2pre n GLY 183 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 2pre n GLY 183 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pre s TYR 184 N -2.74 2.94 -0.05 1.61 1.51 -1.08 -2.71 117.35 116.83 2pre s TYR 184 Ca 0.00 -0.30 -0.02 0.00 -1.01 0.00 0.00 57.07 55.74 2pre s TYR 184 Cb 0.00 -1.94 0.04 0.00 -0.11 0.00 0.00 41.96 39.95 2pre s TYR 184 CO 0.00 0.05 0.09 -1.50 -1.11 0.00 0.00 175.55 173.08 2pre s ILE 185 N -2.28 -0.09 -0.49 2.71 2.07 -0.58 -0.06 121.20 122.47 2pre s ILE 185 Ca 0.44 0.25 -0.21 0.00 -1.41 0.00 0.00 60.65 59.71 2pre s ILE 185 Cb -0.07 -0.17 0.04 0.00 0.13 0.00 0.00 42.46 42.39 2pre s ILE 185 CO 0.29 0.10 0.73 -0.13 -1.91 0.00 0.00 174.94 174.02 2pre s ARG 186 N 1.40 3.25 -0.27 3.50 0.52 -1.26 -1.75 118.95 124.34 2pre s ARG 186 Ca -0.06 -0.50 -0.12 0.00 -0.52 0.00 0.00 55.73 54.52 2pre s ARG 186 Cb -0.12 -4.03 -0.05 0.00 0.52 0.00 0.00 34.95 31.27 2pre s ARG 186 CO -0.04 -1.22 0.25 -1.64 0.02 0.00 0.00 175.30 172.67 2pre s MET 187 N 3.10 4.00 0.61 3.54 -1.94 -0.40 -0.47 119.30 127.73 2pre s MET 187 Ca 0.23 -0.17 -0.18 0.00 -1.71 0.00 0.00 55.69 53.86 2pre s MET 187 Cb -0.15 -3.64 -0.08 0.00 2.01 0.00 0.00 34.83 32.97 2pre s MET 187 CO 0.17 -0.18 0.51 1.17 -0.01 0.00 0.00 175.02 176.68 2pre n LYS 188 N 5.03 0.46 -3.58 2.03 4.81 -0.46 0.40 118.16 126.86 2pre n LYS 188 Ca -0.12 0.18 -0.40 0.00 -0.87 0.00 0.00 58.31 57.11 2pre n LYS 188 Cb 0.52 -1.72 -0.11 0.00 0.02 0.00 0.00 35.03 33.73 2pre n LYS 188 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2pre s ARG 189 N -2.24 3.32 -0.03 1.64 0.52 0.23 -4.50 118.95 117.89 2pre s ARG 189 Ca 0.68 -0.75 0.05 0.00 -0.52 0.00 0.00 55.73 55.19 2pre s ARG 189 Cb -0.42 -3.72 0.09 0.00 0.52 0.00 0.00 34.95 31.41 2pre s ARG 189 CO 0.55 -0.49 1.05 1.33 0.02 0.00 0.00 175.30 177.77 2pre n VAL 190 N 5.05 1.23 -4.05 3.52 0.24 -1.26 -4.86 118.33 118.20 2pre n VAL 190 Ca -0.13 -1.32 0.03 0.00 -2.04 0.00 0.00 64.34 60.88 2pre n VAL 190 Cb 0.49 0.31 -0.01 0.00 -1.47 0.00 0.00 33.84 33.16 2pre n VAL 190 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pre n GLY 191 N -0.71 -1.35 7.00 7.63 0.00 -1.26 -4.80 105.19 111.70 2pre n GLY 191 Ca 0.05 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.95 2pre n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pre n GLY 192 N -0.70 2.40 0.32 -0.02 0.00 -1.26 -0.84 105.19 105.08 2pre n GLY 192 Ca 0.00 -0.49 0.08 0.00 0.00 0.00 0.00 46.02 45.61 2pre n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pre n GLY 194 N 0.93 -2.62 3.66 0.00 0.00 -0.02 -0.91 105.19 106.23 2pre n GLY 194 Ca 0.13 -1.37 -0.44 0.00 0.00 0.00 0.00 46.02 44.33 2pre n GLY 194 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2pre n LEU 195 N -2.61 2.95 -1.32 0.99 7.94 -1.26 -0.30 117.00 123.39 2pre n LEU 195 Ca -0.02 1.17 -0.10 0.00 -1.11 0.00 0.00 56.01 55.95 2pre n LEU 195 Cb 0.15 -1.41 -0.04 0.00 0.53 0.00 0.00 43.42 42.64 2pre n LEU 195 CO 0.01 -0.69 -0.10 0.00 -1.11 0.00 0.00 177.39 175.50 2pre n GLY 197 N -0.20 0.87 0.43 0.00 0.00 0.59 -1.22 105.19 105.65 2pre n GLY 197 Ca -0.11 -0.49 0.23 0.00 0.00 0.00 0.00 46.02 45.65 2pre n GLY 197 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2pre h ILE 198 N 0.00 0.25 -0.65 -0.61 2.10 -0.53 0.14 117.51 118.20 2pre h ILE 198 Ca -0.13 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.81 2pre h ILE 198 Cb 0.53 0.46 0.00 0.00 -1.09 0.00 0.00 36.82 36.71 2pre h ILE 198 CO 0.20 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.27 2pre n ALA 199 N -2.30 2.52 -0.03 0.18 0.00 -0.09 -4.42 120.51 116.37 2pre n ALA 199 Ca 0.12 -1.22 -0.14 0.00 0.00 0.00 0.00 53.44 52.20 2pre n ALA 199 Cb 0.88 -0.96 -0.10 0.00 0.00 0.00 0.00 19.45 19.27 2pre n ALA 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pre h ARG 200 N 3.87 0.17 -2.31 0.00 3.08 -0.78 0.14 114.38 118.55 2pre h ARG 200 Ca 0.00 -0.13 -0.58 0.00 0.07 0.00 0.00 59.98 59.34 2pre h ARG 200 Cb 0.98 0.02 -0.39 0.00 0.08 0.00 0.00 29.97 30.66 2pre h ARG 200 CO 0.04 0.75 -0.96 -0.11 -1.07 0.00 0.00 179.97 178.62 2pre n LEU 201 N -4.62 0.28 -4.90 3.04 7.94 -1.26 -4.36 117.00 113.12 2pre n LEU 201 Ca -0.08 -4.61 -0.29 0.00 -1.11 0.00 0.00 56.01 49.91 2pre n LEU 201 Cb 0.39 0.39 -0.04 0.00 0.53 0.00 0.00 43.42 44.69 2pre n LEU 201 CO 0.37 1.93 0.18 -2.84 -1.11 0.00 0.00 177.39 175.92 2pre s PRO 202 N -0.61 3.65 0.16 1.96 0.02 -1.26 -3.81 135.00 135.11 2pre s PRO 202 Ca 0.33 0.02 -0.21 0.00 0.02 0.00 0.00 61.00 61.16 2pre s PRO 202 Cb 0.08 -2.68 0.06 0.00 0.02 0.00 0.00 34.50 31.98 2pre s PRO 202 CO -0.16 0.27 0.56 0.71 -0.33 0.00 0.00 177.00 178.04 2pre s TYR 203 N -1.99 -0.44 -0.14 6.54 1.51 -0.63 -1.87 117.35 120.33 2pre s TYR 203 Ca 0.44 0.20 -0.15 0.00 -1.01 0.00 0.00 57.07 56.55 2pre s TYR 203 Cb -0.11 0.49 0.04 0.00 -0.11 0.00 0.00 41.96 42.27 2pre s TYR 203 CO 0.28 -0.83 0.41 1.52 -1.11 0.00 0.00 175.55 175.82 2pre s TYR 204 N -3.77 -0.44 0.82 2.71 -0.85 -1.04 -0.42 117.35 114.37 2pre s TYR 204 Ca 0.02 1.05 -0.11 0.00 -0.52 0.00 0.00 57.07 57.51 2pre s TYR 204 Cb -0.01 0.16 0.08 0.00 0.38 0.00 0.00 41.96 42.57 2pre s TYR 204 CO -0.12 -0.24 1.10 -1.25 -1.52 0.00 0.00 175.55 173.52 2pre s PRO 205 N 0.08 1.88 0.05 -3.49 0.04 -1.26 -1.46 135.00 130.84 2pre s PRO 205 Ca -0.01 0.69 0.05 0.00 0.04 0.00 0.00 61.00 61.77 2pre s PRO 205 Cb -0.03 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 2pre s PRO 205 CO 0.01 -1.77 -0.15 0.95 0.04 0.00 0.00 177.00 176.08 2pre s THR 206 N -3.10 1.17 -0.11 1.26 -4.23 0.46 -4.82 115.64 106.28 2pre s THR 206 Ca 0.61 -1.09 -0.04 0.00 -1.18 0.00 0.00 61.69 60.00 2pre s THR 206 Cb -0.15 -1.07 0.06 0.00 1.34 0.00 0.00 72.50 72.67 2pre s THR 206 CO 0.55 -0.03 0.18 -0.75 -0.54 0.00 0.00 174.62 174.04 2pre s LYS 207 N -1.27 0.07 0.00 3.99 2.20 -1.26 0.02 119.74 123.48 2pre s LYS 207 Ca 0.01 0.54 0.27 0.00 -0.36 0.00 0.00 55.97 56.44 2pre s LYS 207 Cb -0.08 -0.37 1.62 0.00 -1.51 0.00 0.00 37.83 37.49 2pre s LYS 207 CO 0.02 -0.35 1.97 0.00 -0.36 0.00 0.00 175.35 176.62