#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pre s PRO 2 N 0.00 1.37 0.16 1.96 0.02 -1.26 -4.94 135.00 132.32 2pre s PRO 2 Ca 0.00 1.53 0.14 0.00 0.02 0.00 0.00 61.00 62.69 2pre s PRO 2 Cb 0.00 -1.77 -0.07 0.00 0.02 0.00 0.00 34.50 32.68 2pre s PRO 2 CO 0.00 -2.37 1.18 0.93 -0.33 0.00 0.00 177.00 176.41 2pre h GLU 3 N -1.52 0.00 -4.38 5.54 4.39 -1.96 -3.46 114.58 113.19 2pre h GLU 3 Ca -0.44 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 58.95 2pre h GLU 3 Cb 1.27 0.00 -0.26 0.00 -0.10 0.00 0.00 28.75 29.65 2pre h GLU 3 CO 0.44 0.53 -0.75 -0.65 -1.16 0.00 0.00 179.01 177.43 2pre s GLN 4 N -2.88 0.45 -0.18 2.33 1.11 -1.26 -4.63 119.66 114.61 2pre s GLN 4 Ca 0.01 -0.34 -0.22 0.00 0.01 0.00 0.00 55.36 54.82 2pre s GLN 4 Cb 0.08 -0.38 0.06 0.00 -1.01 0.00 0.00 33.01 31.76 2pre s GLN 4 CO 0.78 0.10 0.59 -1.50 0.01 0.00 0.00 175.29 175.27 2pre s ILE 5 N -0.46 0.00 -0.31 1.08 2.07 -0.67 -5.00 121.20 117.92 2pre s ILE 5 Ca -0.01 -0.04 0.01 0.00 -1.41 0.00 0.00 60.65 59.20 2pre s ILE 5 Cb -0.04 -0.85 0.15 0.00 0.13 0.00 0.00 42.46 41.85 2pre s ILE 5 CO -0.00 -0.02 0.36 -0.62 -1.91 0.00 0.00 174.94 172.74 2pre s ASP 6 N -0.10 1.09 0.26 4.50 -1.08 -1.26 -0.49 116.67 119.59 2pre s ASP 6 Ca -0.03 -0.82 0.15 0.00 -0.52 0.00 0.00 52.55 51.33 2pre s ASP 6 Cb -0.03 0.74 0.79 0.00 -1.46 0.00 0.00 42.92 42.96 2pre s ASP 6 CO 0.03 -0.35 1.39 0.79 0.52 0.00 0.00 175.17 177.55 2pre n TRP 7 N 5.08 0.49 0.06 -5.34 7.02 0.22 -0.66 117.44 124.32 2pre n TRP 7 Ca 0.02 0.26 -0.06 0.00 -1.02 0.00 0.00 57.50 56.69 2pre n TRP 7 Cb 0.47 -0.82 0.10 0.00 -2.42 0.00 0.00 31.31 28.64 2pre n TRP 7 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2pre h ARG 8 N 0.00 0.33 0.00 -0.99 3.08 -1.93 -2.57 114.38 112.30 2pre h ARG 8 Ca 0.00 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.83 2pre h ARG 8 Cb 0.26 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2pre h ARG 8 CO 0.00 0.83 0.00 1.63 -1.07 0.00 0.00 179.97 181.36 2pre n LYS 9 N -3.89 0.75 -0.03 0.04 5.02 0.17 -2.95 118.16 117.27 2pre n LYS 9 Ca -0.03 0.01 0.03 0.00 -2.02 0.00 0.00 58.31 56.30 2pre n LYS 9 Cb 0.62 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 34.17 2pre n LYS 9 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2pre n LYS 10 N -1.04 2.53 -1.86 1.97 5.02 -1.00 -5.00 118.16 118.77 2pre n LYS 10 Ca 0.19 -1.82 -0.12 0.00 -2.02 0.00 0.00 58.31 54.53 2pre n LYS 10 Cb 0.11 -1.15 -0.02 0.00 -0.02 0.00 0.00 35.03 33.94 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 -0.72 0.45 0.91 0.72 0.00 -1.15 -4.93 105.19 100.47 2pre n GLY 11 Ca 0.05 -0.43 0.08 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.43 2.40 -3.68 4.61 0.00 -1.01 -4.78 120.51 117.62 2pre n ALA 12 Ca -0.13 -1.35 -0.23 0.00 0.00 0.00 0.00 53.44 51.73 2pre n ALA 12 Cb 0.52 -0.62 -0.17 0.00 0.00 0.00 0.00 19.45 19.17 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 -1.29 0.74 0.77 0.00 1.01 -1.26 -3.85 120.40 116.53 2pre s VAL 13 Ca 0.33 -0.19 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 2pre s VAL 13 Cb 0.19 -0.76 0.06 0.00 0.00 0.00 0.00 36.38 35.87 2pre s VAL 13 CO 0.20 0.29 1.08 0.42 0.00 0.00 0.00 175.10 177.09 2pre s THR 14 N 1.24 3.36 0.90 3.92 -4.23 -1.26 -4.96 115.64 114.62 2pre s THR 14 Ca -0.05 0.44 -0.11 0.00 -1.18 0.00 0.00 61.69 60.80 2pre s THR 14 Cb -0.14 -3.12 0.14 0.00 1.34 0.00 0.00 72.50 70.72 2pre s THR 14 CO -0.02 -0.58 1.16 -2.65 -0.54 0.00 0.00 174.62 171.99 2pre n PRO 15 N -3.41 -0.37 -1.69 3.99 -0.02 -1.26 -4.91 135.00 127.34 2pre n PRO 15 Ca 0.07 -0.04 -0.43 0.00 -2.02 0.00 0.00 63.50 61.09 2pre n PRO 15 Cb 0.55 -2.39 -0.01 0.00 -0.02 0.00 0.00 33.50 31.63 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 -4.11 1.92 -4.33 -1.45 0.31 -1.26 -5.03 118.33 104.37 2pre n VAL 16 Ca 0.12 -0.48 -0.24 0.00 -0.01 0.00 0.00 64.34 63.73 2pre n VAL 16 Cb 0.52 -1.54 -0.08 0.00 -0.91 0.00 0.00 33.84 31.83 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 -1.75 2.08 -0.27 5.55 1.02 -1.26 -4.87 119.74 120.25 2pre s LYS 17 Ca 0.56 -1.69 0.00 0.00 0.02 0.00 0.00 55.97 54.87 2pre s LYS 17 Cb -0.58 -1.96 0.08 0.00 -0.52 0.00 0.00 37.83 34.85 2pre s LYS 17 CO 0.61 0.19 0.02 1.21 -0.92 0.00 0.00 175.35 176.46 2pre s ASN 18 N -3.69 3.89 0.00 2.83 3.84 -1.26 -2.35 114.94 118.20 2pre s ASN 18 Ca 0.34 -1.39 0.03 0.00 0.21 0.00 0.00 52.86 52.04 2pre s ASN 18 Cb -0.02 -1.06 0.12 0.00 -0.55 0.00 0.00 41.25 39.74 2pre s ASN 18 CO 0.19 -0.32 1.00 0.00 -2.79 0.00 0.00 177.10 175.19 2pre n GLN 19 N 4.72 0.02 0.00 0.43 10.64 0.61 -4.88 117.38 128.91 2pre n GLN 19 Ca -0.06 0.37 0.00 0.00 -1.83 0.00 0.00 57.00 55.48 2pre n GLN 19 Cb 0.44 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.32 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 -1.16 0.96 2.44 2.61 0.00 -1.26 -3.41 105.19 105.36 2pre n GLY 20 Ca 0.01 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 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 3.53 -3.63 1.61 5.02 -1.26 -4.82 118.16 118.60 2pre n LYS 21 Ca 0.00 -2.77 -0.14 0.00 -2.02 0.00 0.00 58.31 53.38 2pre n LYS 21 Cb 0.00 -2.41 -0.13 0.00 -0.02 0.00 0.00 35.03 32.47 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 5.35 0.55 0.39 0.00 0.00 -0.43 -4.51 105.19 106.54 2pre n GLY 23 Ca -0.06 -0.47 0.08 0.00 0.00 0.00 0.00 46.02 45.57 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 15.44 1.93 -0.34 1.61 3.41 -1.26 -2.23 113.62 132.17 2pre n SER 24 Ca 0.44 -3.45 0.02 0.00 -0.26 0.00 0.00 58.87 55.62 2pre n SER 24 Cb 0.46 -0.47 0.16 0.00 -0.26 0.00 0.00 64.21 64.10 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 1.09 0.28 0.13 0.00 5.08 -1.86 0.21 115.95 120.87 2pre h TRP 26 Ca 0.41 0.01 -0.21 0.00 1.08 0.00 0.00 58.89 60.18 2pre h TRP 26 Cb 0.17 -0.08 0.01 0.00 -3.00 0.00 0.00 29.16 26.25 2pre h TRP 26 CO -0.01 0.07 -0.98 0.00 -1.28 0.00 0.00 178.44 176.24 2pre h ALA 27 N 1.60 0.00 -0.11 0.11 0.00 -1.16 -3.25 119.26 116.46 2pre h ALA 27 Ca 0.43 -0.82 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 2pre h ALA 27 Cb 1.36 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 2pre h ALA 27 CO -0.09 0.51 -0.30 0.74 0.00 0.00 0.00 179.25 180.11 2pre h PHE 28 N -0.39 0.23 0.00 0.00 -1.00 -0.52 -1.63 116.94 113.62 2pre h PHE 28 Ca -0.19 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.54 2pre h PHE 28 Cb 1.65 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 41.15 2pre h PHE 28 CO 0.18 0.49 0.00 0.43 -1.61 0.00 0.00 178.31 177.79 2pre n SER 29 N -4.13 0.00 -0.28 2.17 7.64 -0.02 -2.14 113.62 116.85 2pre n SER 29 Ca -0.01 0.64 0.10 0.00 1.01 0.00 0.00 58.87 60.61 2pre n SER 29 Cb 0.39 -0.23 0.25 0.00 -1.01 0.00 0.00 64.21 63.60 2pre n SER 29 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2pre h THR 30 N 0.00 0.50 -0.72 0.44 1.35 -1.65 -0.03 112.91 112.81 2pre h THR 30 Ca 0.00 -0.12 0.04 0.00 -0.55 0.00 0.00 66.41 65.78 2pre h THR 30 Cb 0.00 0.11 -0.05 0.00 -1.73 0.00 0.00 68.15 66.48 2pre h THR 30 CO 0.00 0.07 0.44 0.58 -0.25 0.00 0.00 175.52 176.36 2pre h VAL 31 N 0.36 1.07 -0.51 6.82 2.07 -1.38 -0.33 116.25 124.35 2pre h VAL 31 Ca 0.50 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.74 2pre h VAL 31 Cb 0.89 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 2pre h VAL 31 CO -0.51 0.15 0.32 -1.28 0.02 0.00 0.00 177.57 176.27 2pre h SER 32 N 0.84 0.54 0.57 0.57 0.87 -0.49 0.66 113.55 117.11 2pre h SER 32 Ca 0.30 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 2pre h SER 32 Cb 0.07 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 61.90 2pre h SER 32 CO -0.13 0.39 -0.03 0.71 -0.53 0.00 0.00 176.83 177.23 2pre h THR 33 N 0.65 0.14 0.23 2.23 1.35 -0.72 -0.45 112.91 116.33 2pre h THR 33 Ca 0.19 -0.38 -0.31 0.00 -0.55 0.00 0.00 66.41 65.36 2pre h THR 33 Cb -0.04 1.33 0.03 0.00 -1.73 0.00 0.00 68.15 67.75 2pre h THR 33 CO -0.06 0.03 -1.40 0.58 -0.25 0.00 0.00 175.52 174.43 2pre h VAL 34 N 0.00 1.29 -0.24 6.82 2.07 0.43 -2.05 116.25 124.57 2pre h VAL 34 Ca -0.00 -2.65 0.00 0.00 0.82 0.00 0.00 66.70 64.87 2pre h VAL 34 Cb 0.33 3.05 -0.01 0.00 -1.52 0.00 0.00 31.29 33.13 2pre h VAL 34 CO 0.00 0.80 0.16 -0.33 0.02 0.00 0.00 177.57 178.22 2pre h GLU 35 N 0.05 0.32 0.20 1.57 5.08 -0.23 -1.81 114.58 119.76 2pre h GLU 35 Ca -0.25 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2pre h GLU 35 Cb 2.07 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 31.24 2pre h GLU 35 CO 0.25 0.23 -0.16 0.77 -1.00 0.00 0.00 179.01 179.10 2pre h SER 36 N 0.32 -0.41 -0.10 1.42 0.02 -1.16 -0.66 113.55 112.98 2pre h SER 36 Ca 0.09 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 2pre h SER 36 Cb -0.02 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 2pre h SER 36 CO -0.02 -0.24 -0.02 -0.29 -1.14 0.00 0.00 176.83 175.12 2pre h ILE 37 N -0.37 1.15 -0.40 3.27 6.09 -1.33 0.37 117.51 126.29 2pre h ILE 37 Ca -0.01 -0.59 -0.09 0.00 -1.37 0.00 0.00 64.86 62.80 2pre h ILE 37 Cb 0.33 1.02 -0.01 0.00 0.47 0.00 0.00 36.82 38.62 2pre h ILE 37 CO -0.01 0.20 -0.09 -1.13 -3.07 0.00 0.00 178.15 174.04 2pre h ASN 38 N 0.31 0.78 -0.46 2.19 -1.24 -0.86 -1.31 115.58 114.99 2pre h ASN 38 Ca 0.07 -0.36 -0.10 0.00 0.71 0.00 0.00 56.30 56.63 2pre h ASN 38 Cb 0.25 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.07 2pre h ASN 38 CO 0.01 0.96 -0.09 -0.61 -1.29 0.00 0.00 177.43 176.41 2pre h GLN 39 N 0.59 0.87 -0.60 6.67 -0.00 -0.59 0.70 115.11 122.75 2pre h GLN 39 Ca 0.10 -0.32 0.05 0.00 -0.00 0.00 0.00 58.65 58.49 2pre h GLN 39 Cb 0.61 -0.06 -0.05 0.00 0.00 0.00 0.00 27.48 27.99 2pre h GLN 39 CO 0.04 0.96 0.32 0.82 0.00 0.00 0.00 178.83 180.97 2pre h ILE 40 N 0.71 0.96 0.00 2.39 2.04 -0.76 0.28 117.51 123.14 2pre h ILE 40 Ca 0.12 -0.21 -0.13 0.00 1.00 0.00 0.00 64.86 65.64 2pre h ILE 40 Cb 0.62 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 2pre h ILE 40 CO 0.04 0.11 -0.80 0.03 0.00 0.00 0.00 178.15 177.53 2pre h ARG 41 N 0.61 0.00 0.00 2.37 2.47 -1.07 -3.38 114.38 115.37 2pre h ARG 41 Ca 0.27 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.99 2pre h ARG 41 Cb 0.16 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.48 2pre h ARG 41 CO -0.17 0.46 -0.77 0.25 0.56 0.00 0.00 179.97 180.30 2pre n THR 42 N -3.13 0.00 -0.99 2.04 -2.24 0.22 -4.98 114.28 105.21 2pre n THR 42 Ca -0.02 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2pre n THR 42 Cb 0.77 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 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 1.67 0.60 3.28 3.38 0.00 0.99 -5.01 105.19 110.11 2pre n GLY 43 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.19 4.17 -0.36 1.61 0.01 -1.24 -5.01 114.94 111.93 2pre s ASN 44 Ca 0.00 -0.45 -0.18 0.00 -0.71 0.00 0.00 52.86 51.52 2pre s ASN 44 Cb 0.00 -1.71 -0.00 0.00 0.41 0.00 0.00 41.25 39.95 2pre s ASN 44 CO 0.00 -0.03 0.52 -0.22 -1.51 0.00 0.00 177.10 175.87 2pre s LEU 45 N 1.45 4.37 -0.03 0.60 2.96 -1.26 -3.18 118.68 123.59 2pre s LEU 45 Ca 0.05 -0.06 0.05 0.00 -0.22 0.00 0.00 54.13 53.96 2pre s LEU 45 Cb -0.14 -2.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.95 2pre s LEU 45 CO -0.04 -0.50 -0.18 -0.63 -1.32 0.00 0.00 176.35 173.67 2pre s ILE 46 N 2.42 1.47 -0.22 6.68 1.01 -1.26 -5.08 121.20 126.21 2pre s ILE 46 Ca 0.19 -0.76 -0.23 0.00 0.00 0.00 0.00 60.65 59.85 2pre s ILE 46 Cb -0.15 -1.24 -0.01 0.00 0.01 0.00 0.00 42.46 41.06 2pre s ILE 46 CO 0.14 0.42 0.74 -0.55 0.00 0.00 0.00 174.94 175.69 2pre s SER 47 N -0.20 6.77 0.38 3.58 0.15 -1.26 -4.74 113.70 118.38 2pre s SER 47 Ca 0.02 0.95 0.07 0.00 0.70 0.00 0.00 55.95 57.69 2pre s SER 47 Cb -0.09 -2.40 -0.00 0.00 -1.71 0.00 0.00 66.02 61.81 2pre s SER 47 CO 0.01 -0.41 0.50 -0.76 1.20 0.00 0.00 173.24 173.77 2pre s LEU 48 N 2.43 3.74 -0.37 3.45 1.43 -1.26 -0.42 118.68 127.67 2pre s LEU 48 Ca 0.32 -0.38 -0.24 0.00 -1.03 0.00 0.00 54.13 52.81 2pre s LEU 48 Cb -0.16 -2.60 0.01 0.00 0.03 0.00 0.00 46.19 43.48 2pre s LEU 48 CO 0.09 -0.60 0.81 -0.55 0.23 0.00 0.00 176.35 176.33 2pre s SER 49 N -4.24 6.56 0.09 2.29 0.15 0.62 -3.70 113.70 115.47 2pre s SER 49 Ca 0.50 0.35 -0.04 0.00 0.70 0.00 0.00 55.95 57.45 2pre s SER 49 Cb -0.09 -2.41 -0.24 0.00 -1.71 0.00 0.00 66.02 61.57 2pre s SER 49 CO 0.31 -0.78 1.18 -0.33 1.20 0.00 0.00 173.24 174.82 2pre h GLU 50 N 8.54 0.29 -0.91 5.44 3.07 -1.90 -3.25 114.58 125.87 2pre h GLU 50 Ca -0.24 -0.45 0.12 0.00 -0.50 0.00 0.00 59.36 58.29 2pre h GLU 50 Cb 1.09 0.16 -0.07 0.00 -0.84 0.00 0.00 28.75 29.09 2pre h GLU 50 CO 0.93 1.19 0.58 0.37 -1.40 0.00 0.00 179.01 180.68 2pre h GLN 51 N 0.10 0.80 0.14 2.33 5.75 -1.83 -1.88 115.11 120.51 2pre h GLN 51 Ca -0.12 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.35 2pre h GLN 51 Cb 1.89 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 30.22 2pre h GLN 51 CO 0.19 0.53 -0.33 0.37 -2.65 0.00 0.00 178.83 176.95 2pre h GLN 52 N 0.82 -0.54 -0.54 1.69 4.15 -1.81 0.03 115.11 118.90 2pre h GLN 52 Ca 0.44 0.04 0.07 0.00 0.77 0.00 0.00 58.65 59.97 2pre h GLN 52 Cb 0.56 0.12 -0.06 0.00 0.21 0.00 0.00 27.48 28.31 2pre h GLN 52 CO -0.21 -0.36 0.21 -0.07 -1.93 0.00 0.00 178.83 176.47 2pre h LEU 53 N -0.57 0.24 -0.65 -2.39 3.38 -1.53 0.50 115.31 114.30 2pre h LEU 53 Ca 0.02 0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.17 2pre h LEU 53 Cb 0.58 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.27 2pre h LEU 53 CO -0.18 0.16 0.19 0.58 0.09 0.00 0.00 178.44 179.29 2pre h VAL 54 N 0.41 0.66 0.21 1.22 2.07 -0.56 0.55 116.25 120.81 2pre h VAL 54 Ca 0.26 -0.11 -0.29 0.00 0.82 0.00 0.00 66.70 67.37 2pre h VAL 54 Cb 0.26 0.30 0.03 0.00 -1.52 0.00 0.00 31.29 30.36 2pre h VAL 54 CO -0.24 0.06 -1.25 0.44 0.02 0.00 0.00 177.57 176.60 2pre h ASP 55 N 0.33 0.74 0.05 0.57 3.32 -0.15 -3.37 116.42 117.91 2pre h ASP 55 Ca 0.34 -0.92 -0.27 0.00 0.02 0.00 0.00 57.03 56.21 2pre h ASP 55 Cb 0.50 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.76 2pre h ASP 55 CO -0.39 1.61 -2.23 0.00 -1.72 0.00 0.00 179.24 176.51 2pre n ASN 57 N -2.64 2.84 0.08 0.00 4.05 0.19 -4.76 115.26 115.01 2pre n ASN 57 Ca -0.24 -2.70 0.20 0.00 0.45 0.00 0.00 54.58 52.29 2pre n ASN 57 Cb 0.99 -1.33 0.75 0.00 1.23 0.00 0.00 39.78 41.42 2pre n ASN 57 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 177.26 174.32 2pre h LYS 58 N 8.22 0.00 0.00 1.20 1.79 -1.84 -1.25 116.57 124.70 2pre h LYS 58 Ca 0.38 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.85 2pre h LYS 58 Cb 0.74 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 2pre h LYS 58 CO 1.75 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 181.75 2pre n LYS 59 N -3.86 0.06 -3.44 3.15 5.02 -1.26 -4.75 118.16 113.07 2pre n LYS 59 Ca 0.07 0.11 -0.22 0.00 -2.02 0.00 0.00 58.31 56.26 2pre n LYS 59 Cb 0.59 -1.57 0.01 0.00 -0.02 0.00 0.00 35.03 34.04 2pre n LYS 59 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2pre s ASN 60 N -3.33 4.99 -0.62 4.39 0.01 -0.47 -4.92 114.94 114.97 2pre s ASN 60 Ca 0.11 -0.91 0.05 0.00 -0.71 0.00 0.00 52.86 51.40 2pre s ASN 60 Cb 0.15 0.03 0.33 0.00 0.41 0.00 0.00 41.25 42.18 2pre s ASN 60 CO 0.48 -1.04 1.01 1.41 -1.51 0.00 0.00 177.10 177.45 2pre n HIS 61 N -1.88 3.92 0.00 2.20 8.25 -0.01 -4.98 115.22 122.73 2pre n HIS 61 Ca 0.06 -3.88 0.00 0.00 -0.26 0.00 0.00 57.72 53.64 2pre n HIS 61 Cb 0.62 -0.56 0.00 0.00 1.12 0.00 0.00 29.99 31.17 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 -0.15 1.69 0.00 -1.41 0.00 -1.26 0.81 105.19 104.87 2pre n GLY 62 Ca 0.32 0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.52 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 -1.05 2.47 0.00 0.00 5.02 0.24 -1.32 118.16 123.52 2pre n LYS 64 Ca 0.13 -3.07 0.00 0.00 -2.02 0.00 0.00 58.31 53.34 2pre n LYS 64 Cb 0.08 -2.05 0.00 0.00 -0.02 0.00 0.00 35.03 33.03 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 -0.90 1.02 0.91 0.72 0.00 -0.95 -4.78 105.19 101.21 2pre n GLY 65 Ca 0.45 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 1.48 0.68 3.08 -0.02 0.00 -1.26 -0.83 105.19 108.33 2pre n GLY 66 Ca 0.00 -0.90 -0.19 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.23 0.91 0.14 4.61 0.00 -1.26 -4.82 121.76 120.10 2pre s ALA 67 Ca 0.07 -0.63 -0.25 0.00 0.00 0.00 0.00 51.96 51.15 2pre s ALA 67 Cb -0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 2pre s ALA 67 CO 0.00 0.18 1.62 0.74 0.00 0.00 0.00 175.76 178.29 2pre h PHE 68 N 5.32 -0.82 -0.49 0.00 0.05 -1.99 -2.35 116.94 116.66 2pre h PHE 68 Ca -0.34 0.04 0.09 0.00 3.82 0.00 0.00 57.97 61.58 2pre h PHE 68 Cb 1.18 0.38 -0.10 0.00 2.00 0.00 0.00 35.95 39.41 2pre h PHE 68 CO 0.49 -0.38 -0.30 -0.39 -0.18 0.00 0.00 178.31 177.55 2pre h VAL 69 N -0.37 0.24 -0.90 -0.55 -1.51 -1.98 -0.69 116.25 110.48 2pre h VAL 69 Ca 0.10 0.00 0.08 0.00 -1.23 0.00 0.00 66.70 65.65 2pre h VAL 69 Cb 0.52 0.24 -0.07 0.00 -2.13 0.00 0.00 31.29 29.85 2pre h VAL 69 CO -0.34 0.00 0.56 1.88 -1.23 0.00 0.00 177.57 178.43 2pre h TYR 70 N -0.18 1.02 -0.23 5.19 0.05 -1.94 0.59 116.97 121.47 2pre h TYR 70 Ca 0.21 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.99 2pre h TYR 70 Cb 0.53 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 37.93 2pre h TYR 70 CO -0.56 0.49 0.01 0.00 -1.05 0.00 0.00 178.16 177.05 2pre h ALA 71 N 1.44 0.31 -0.23 3.88 0.00 -0.71 0.75 119.26 124.71 2pre h ALA 71 Ca 0.41 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2pre h ALA 71 Cb 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2pre h ALA 71 CO -0.20 0.02 -0.04 1.88 0.00 0.00 0.00 179.25 180.91 2pre h TYR 72 N 0.18 0.49 -0.39 0.00 0.99 -0.84 -2.93 116.97 114.48 2pre h TYR 72 Ca 0.07 -0.10 -0.01 0.00 2.00 0.00 0.00 58.73 60.69 2pre h TYR 72 Cb 0.38 -0.12 -0.02 0.00 1.00 0.00 0.00 36.73 37.96 2pre h TYR 72 CO 0.03 0.66 0.19 0.37 -0.00 0.00 0.00 178.16 179.40 2pre h GLN 73 N 0.19 0.53 0.20 4.88 5.75 -0.79 -1.58 115.11 124.29 2pre h GLN 73 Ca 0.06 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 2pre h GLN 73 Cb 0.49 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.93 2pre h GLN 73 CO 0.02 0.41 -0.10 -0.92 -2.65 0.00 0.00 178.83 175.59 2pre h TYR 74 N 0.53 -0.25 -0.49 3.99 3.20 -0.70 -0.15 116.97 123.11 2pre h TYR 74 Ca 0.14 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.04 2pre h TYR 74 Cb 0.05 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 2pre h TYR 74 CO 0.00 -0.10 0.25 0.82 -1.64 0.00 0.00 178.16 177.48 2pre h ILE 75 N -0.34 0.96 0.57 1.81 2.04 -1.28 0.15 117.51 121.43 2pre h ILE 75 Ca -0.03 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 2pre h ILE 75 Cb 0.26 0.44 0.01 0.00 -0.74 0.00 0.00 36.82 36.78 2pre h ILE 75 CO 0.05 0.09 -0.28 0.40 0.00 0.00 0.00 178.15 178.41 2pre h ILE 76 N 0.48 0.43 -0.89 -0.67 2.04 -1.21 -0.93 117.51 116.76 2pre h ILE 76 Ca 0.21 -0.08 0.07 0.00 1.00 0.00 0.00 64.86 66.07 2pre h ILE 76 Cb 0.12 0.46 -0.07 0.00 -0.74 0.00 0.00 36.82 36.59 2pre h ILE 76 CO -0.15 0.01 0.55 0.44 0.00 0.00 0.00 178.15 179.01 2pre h ASP 77 N -0.82 0.85 0.70 1.72 3.32 -0.84 -0.06 116.42 121.30 2pre h ASP 77 Ca -0.08 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2pre h ASP 77 Cb 0.61 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.01 2pre h ASP 77 CO 0.13 0.53 0.00 -3.20 -1.72 0.00 0.00 179.24 174.98 2pre n ASN 78 N -4.62 0.39 -0.22 6.45 2.85 0.49 -4.87 115.26 115.73 2pre n ASN 78 Ca 0.14 0.59 -0.03 0.00 -0.11 0.00 0.00 54.58 55.17 2pre n ASN 78 Cb 0.21 -0.67 -0.01 0.00 1.24 0.00 0.00 39.78 40.54 2pre n ASN 78 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2pre n GLY 79 N 0.16 0.56 0.00 8.20 0.00 -0.04 -4.95 105.19 109.12 2pre n GLY 79 Ca 0.03 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.51 2.31 3.11 -0.02 0.00 -0.41 -4.78 105.19 102.88 2pre n GLY 80 Ca -0.03 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.74 0.52 0.46 -0.61 2.07 0.31 -4.81 121.20 117.40 2pre s ILE 81 Ca 0.00 -1.58 0.04 0.00 -1.41 0.00 0.00 60.65 57.69 2pre s ILE 81 Cb 0.00 -1.23 0.01 0.00 0.13 0.00 0.00 42.46 41.38 2pre s ILE 81 CO 0.00 -0.72 0.65 -0.62 -1.91 0.00 0.00 174.94 172.33 2pre s ASP 82 N -2.47 5.61 0.74 4.50 -1.08 -1.17 -0.61 116.67 122.20 2pre s ASP 82 Ca 0.02 -0.08 -0.12 0.00 -0.52 0.00 0.00 52.55 51.85 2pre s ASP 82 Cb 0.00 -1.02 0.04 0.00 -1.46 0.00 0.00 42.92 40.48 2pre s ASP 82 CO -0.04 -0.83 1.12 0.42 0.52 0.00 0.00 175.17 176.35 2pre s THR 83 N -2.51 3.08 0.21 1.71 -4.23 -1.26 -0.27 115.64 112.35 2pre s THR 83 Ca 0.53 0.35 -0.05 0.00 -1.18 0.00 0.00 61.69 61.33 2pre s THR 83 Cb -0.10 -3.32 0.05 0.00 1.34 0.00 0.00 72.50 70.48 2pre s THR 83 CO 0.36 -0.46 1.64 -0.08 -0.54 0.00 0.00 174.62 175.55 2pre h GLU 84 N -0.81 0.86 -0.21 3.99 4.57 -0.82 -2.61 114.58 119.55 2pre h GLU 84 Ca -0.45 -0.31 -0.03 0.00 -1.18 0.00 0.00 59.36 57.38 2pre h GLU 84 Cb 1.27 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.80 2pre h GLU 84 CO 0.64 0.95 0.01 0.00 -1.18 0.00 0.00 179.01 179.43 2pre h ALA 85 N 1.07 0.28 0.00 2.92 0.00 -1.92 -2.44 119.26 119.17 2pre h ALA 85 Ca 0.12 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2pre h ALA 85 Cb 0.66 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2pre h ALA 85 CO 0.05 -0.01 -0.33 -0.97 0.00 0.00 0.00 179.25 177.99 2pre h ASN 86 N 0.14 0.00 -2.26 0.00 -1.24 -1.94 -3.35 115.58 106.93 2pre h ASN 86 Ca 0.06 0.00 -0.58 0.00 0.71 0.00 0.00 56.30 56.49 2pre h ASN 86 Cb 0.37 0.00 -0.39 0.00 0.73 0.00 0.00 38.32 39.04 2pre h ASN 86 CO 0.01 0.33 -1.00 0.00 -1.29 0.00 0.00 177.43 175.47 2pre n TYR 87 N -3.64 -0.53 -0.88 0.67 -0.00 -0.99 -5.01 117.16 106.79 2pre n TYR 87 Ca -0.01 -3.44 -0.33 0.00 -0.00 0.00 0.00 57.90 54.12 2pre n TYR 87 Cb 0.44 0.02 0.12 0.00 -0.00 0.00 0.00 39.34 39.92 2pre n TYR 87 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.86 174.56 2pre n PRO 88 N 2.29 -0.18 -3.32 2.98 -0.02 -0.92 -4.57 135.00 131.26 2pre n PRO 88 Ca 0.27 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.36 2pre n PRO 88 Cb 0.49 -2.01 -0.06 0.00 -0.02 0.00 0.00 33.50 31.90 2pre n PRO 88 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2pre s TYR 89 N -2.34 3.63 -0.10 6.00 6.14 -1.26 -4.68 117.35 124.74 2pre s TYR 89 Ca 0.62 1.03 0.05 0.00 0.64 0.00 0.00 57.07 59.41 2pre s TYR 89 Cb -0.24 -2.51 -0.07 0.00 0.42 0.00 0.00 41.96 39.56 2pre s TYR 89 CO 0.62 0.35 0.15 1.63 0.64 0.00 0.00 175.55 178.95 2pre n LYS 90 N 2.85 2.46 -3.33 4.97 4.76 -1.26 -5.02 118.16 123.59 2pre n LYS 90 Ca -0.09 -0.03 -0.18 0.00 -2.87 0.00 0.00 58.31 55.15 2pre n LYS 90 Cb 0.51 -0.95 0.07 0.00 -1.84 0.00 0.00 35.03 32.83 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 -1.43 -1.40 -3.61 7.82 0.00 -1.26 -4.98 120.51 115.64 2pre n ALA 91 Ca -0.00 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2pre n ALA 91 Cb 0.11 -3.54 -0.06 0.00 0.00 0.00 0.00 19.45 15.95 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 -3.29 -0.03 0.59 0.00 0.11 -1.26 -4.68 120.40 111.84 2pre s VAL 92 Ca 0.27 0.00 -0.20 0.00 -2.93 0.00 0.00 61.98 59.12 2pre s VAL 92 Cb -0.12 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.70 2pre s VAL 92 CO 0.62 0.00 1.28 -1.58 -3.33 0.00 0.00 175.10 172.09 2pre s GLN 93 N 1.28 2.92 0.20 1.54 0.74 -1.26 -5.01 119.66 120.07 2pre s GLN 93 Ca -0.08 2.03 -0.06 0.00 0.05 0.00 0.00 55.36 57.30 2pre s GLN 93 Cb -0.03 -2.02 -0.03 0.00 1.10 0.00 0.00 33.01 32.03 2pre s GLN 93 CO -0.13 -1.30 0.24 0.20 -0.55 0.00 0.00 175.29 173.76 2pre s GLY 94 N -1.32 0.98 0.51 2.59 0.00 -1.26 -5.07 107.32 103.75 2pre s GLY 94 Ca 0.77 -1.31 -0.22 0.00 0.00 0.00 0.00 44.72 43.95 2pre s GLY 94 CO 0.40 -1.09 1.26 -1.55 0.00 0.00 0.00 173.10 172.12 2pre n PRO 95 N -0.27 1.63 -2.17 2.90 -0.04 -1.26 -4.59 135.00 131.21 2pre n PRO 95 Ca -0.01 0.60 -0.43 0.00 -0.04 0.00 0.00 63.50 63.62 2pre n PRO 95 Cb 0.64 -2.44 -0.02 0.00 -0.04 0.00 0.00 33.50 31.64 2pre n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pre s ARG 97 N 5.43 2.65 0.56 0.00 0.52 -1.26 -4.99 118.95 121.85 2pre s ARG 97 Ca 0.70 0.21 -0.19 0.00 -0.52 0.00 0.00 55.73 55.92 2pre s ARG 97 Cb -0.17 -2.09 -0.05 0.00 0.52 0.00 0.00 34.95 33.15 2pre s ARG 97 CO 0.32 -1.07 1.13 0.00 0.02 0.00 0.00 175.30 175.71 2pre s ALA 98 N -3.29 2.67 -0.15 2.13 0.00 -1.26 -5.02 121.76 116.84 2pre s ALA 98 Ca 0.58 0.82 -0.16 0.00 0.00 0.00 0.00 51.96 53.20 2pre s ALA 98 Cb -0.11 -3.36 0.04 0.00 0.00 0.00 0.00 23.12 19.69 2pre s ALA 98 CO 0.49 -0.83 0.43 0.00 0.00 0.00 0.00 175.76 175.85 2pre s ALA 99 N -1.80 -1.07 0.43 0.00 0.00 -1.26 -5.08 121.76 112.98 2pre s ALA 99 Ca 0.73 1.16 -0.24 0.00 0.00 0.00 0.00 51.96 53.61 2pre s ALA 99 Cb -0.24 -0.63 -0.08 0.00 0.00 0.00 0.00 23.12 22.16 2pre s ALA 99 CO 0.28 -0.21 1.16 0.15 0.00 0.00 0.00 175.76 177.14 2pre s LYS 100 N 0.07 3.93 -1.12 0.00 1.02 -1.26 -4.92 119.74 117.46 2pre s LYS 100 Ca -0.01 1.78 -0.12 0.00 0.02 0.00 0.00 55.97 57.64 2pre s LYS 100 Cb -0.03 -2.54 0.22 0.00 -0.52 0.00 0.00 37.83 34.96 2pre s LYS 100 CO 0.01 -0.41 1.22 0.15 -0.92 0.00 0.00 175.35 175.40 2pre s LYS 101 N -2.50 4.09 0.09 1.68 1.02 -1.26 -3.02 119.74 119.83 2pre s LYS 101 Ca 0.60 -2.83 -0.13 0.00 0.02 0.00 0.00 55.97 53.63 2pre s LYS 101 Cb -0.29 -4.77 -0.20 0.00 -0.52 0.00 0.00 37.83 32.04 2pre s LYS 101 CO 0.36 -1.49 1.22 0.28 -0.92 0.00 0.00 175.35 174.80 2pre h VAL 102 N 4.26 1.29 -4.06 3.17 2.07 -1.22 -3.44 116.25 118.32 2pre h VAL 102 Ca 0.23 -2.23 -0.55 0.00 0.82 0.00 0.00 66.70 64.97 2pre h VAL 102 Cb 0.89 2.33 -0.30 0.00 -1.52 0.00 0.00 31.29 32.69 2pre h VAL 102 CO 1.09 0.69 -0.83 -0.69 0.02 0.00 0.00 177.57 177.85 2pre s VAL 103 N -3.37 1.37 0.13 2.57 1.01 -0.89 -4.96 120.40 116.26 2pre s VAL 103 Ca -0.09 -0.71 0.10 0.00 0.00 0.00 0.00 61.98 61.28 2pre s VAL 103 Cb 0.07 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 2pre s VAL 103 CO 0.91 0.39 -0.24 -0.13 0.00 0.00 0.00 175.10 176.04 2pre s ARG 104 N -0.13 1.54 0.04 2.72 0.52 -1.26 -0.53 118.95 121.84 2pre s ARG 104 Ca 0.00 -1.29 0.01 0.00 -0.52 0.00 0.00 55.73 53.94 2pre s ARG 104 Cb -0.09 -1.97 -0.03 0.00 0.52 0.00 0.00 34.95 33.38 2pre s ARG 104 CO 0.01 0.46 -0.06 0.96 0.02 0.00 0.00 175.30 176.69 2pre s ILE 105 N -1.09 0.42 -0.14 1.52 -4.36 -1.26 -4.96 121.20 111.33 2pre s ILE 105 Ca 0.15 -1.15 0.20 0.00 -0.26 0.00 0.00 60.65 59.59 2pre s ILE 105 Cb -0.10 -0.66 -0.17 0.00 1.25 0.00 0.00 42.46 42.77 2pre s ILE 105 CO 0.07 -0.50 0.69 0.47 0.24 0.00 0.00 174.94 175.92 2pre n ASP 106 N 1.28 0.49 0.00 4.36 8.00 -0.48 -4.59 116.55 125.62 2pre n ASP 106 Ca -0.22 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.49 2pre n ASP 106 Cb 0.56 0.90 0.00 0.00 -0.02 0.00 0.00 41.12 42.56 2pre n ASP 106 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pre n GLY 107 N 1.34 0.76 3.50 0.44 0.00 -1.02 -4.98 105.19 105.22 2pre n GLY 107 Ca -0.08 -0.59 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.03 -0.55 0.01 1.61 -0.85 -1.26 -0.80 117.35 113.48 2pre s TYR 108 Ca 0.00 0.75 0.00 0.00 -0.52 0.00 0.00 57.07 57.30 2pre s TYR 108 Cb 0.00 0.47 -0.01 0.00 0.38 0.00 0.00 41.96 42.80 2pre s TYR 108 CO 0.00 -0.63 -0.02 0.15 -1.52 0.00 0.00 175.55 173.54 2pre s LYS 109 N -2.07 0.17 0.37 -3.49 1.02 -0.61 -4.92 119.74 110.22 2pre s LYS 109 Ca -0.05 -0.32 -0.04 0.00 0.02 0.00 0.00 55.97 55.58 2pre s LYS 109 Cb -0.00 0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.31 2pre s LYS 109 CO 0.01 -0.02 0.64 0.20 -0.92 0.00 0.00 175.35 175.25 2pre s GLY 110 N -0.76 1.62 -0.13 -3.33 0.00 -1.26 -2.17 107.32 101.29 2pre s GLY 110 Ca -0.08 -0.60 -0.08 0.00 0.00 0.00 0.00 44.72 43.96 2pre s GLY 110 CO -0.01 -0.48 0.15 0.14 0.00 0.00 0.00 173.10 172.90 2pre s VAL 111 N -2.36 5.48 0.19 1.40 1.01 0.11 -4.96 120.40 121.26 2pre s VAL 111 Ca 0.45 0.23 -0.31 0.00 0.00 0.00 0.00 61.98 62.34 2pre s VAL 111 Cb -0.10 -3.42 -0.16 0.00 0.00 0.00 0.00 36.38 32.70 2pre s VAL 111 CO 0.36 0.59 0.96 -2.65 0.00 0.00 0.00 175.10 174.36 2pre n PRO 112 N 2.24 0.83 -2.09 2.72 -0.02 -1.26 -4.52 135.00 132.90 2pre n PRO 112 Ca -0.19 0.29 -0.38 0.00 -2.02 0.00 0.00 63.50 61.21 2pre n PRO 112 Cb 0.54 -1.64 0.01 0.00 -0.02 0.00 0.00 33.50 32.39 2pre n PRO 112 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2pre s HIS 113 N -0.59 2.67 -1.46 6.00 3.76 -1.26 -3.61 115.29 120.79 2pre s HIS 113 Ca 0.69 1.48 -0.00 0.00 -0.15 0.00 0.00 55.06 57.07 2pre s HIS 113 Cb -0.87 -3.53 0.00 0.00 1.11 0.00 0.00 32.58 29.29 2pre s HIS 113 CO 0.56 -2.00 0.28 0.00 -0.85 0.00 0.00 174.74 172.72 2pre s ASN 115 N -4.35 2.27 0.60 0.00 3.84 -1.24 -4.63 114.94 111.42 2pre s ASN 115 Ca 0.02 -2.88 0.40 0.00 0.21 0.00 0.00 52.86 50.60 2pre s ASN 115 Cb -0.01 -0.58 2.13 0.00 -0.55 0.00 0.00 41.25 42.24 2pre s ASN 115 CO 0.93 -0.20 2.22 -0.33 -2.79 0.00 0.00 177.10 176.92 2pre h GLU 116 N 6.04 0.00 -0.05 0.43 5.08 -1.90 -0.39 114.58 123.79 2pre h GLU 116 Ca 0.18 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.38 2pre h GLU 116 Cb 0.91 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.17 2pre h GLU 116 CO 0.38 0.00 -0.60 -0.97 -1.00 0.00 0.00 179.01 176.82 2pre h ASN 117 N 0.00 0.62 0.28 1.42 -0.73 -1.97 -1.43 115.58 113.77 2pre h ASN 117 Ca 0.00 -0.70 -0.05 0.00 1.87 0.00 0.00 56.30 57.42 2pre h ASN 117 Cb 0.04 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.44 2pre h ASN 117 CO 0.00 1.23 -0.25 0.00 -0.37 0.00 0.00 177.43 178.04 2pre h ALA 118 N 0.40 1.54 -0.02 1.57 0.00 -1.50 -2.63 119.26 118.62 2pre h ALA 118 Ca -0.06 -0.23 -0.25 0.00 0.00 0.00 0.00 54.91 54.37 2pre h ALA 118 Cb 1.28 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.04 2pre h ALA 118 CO 0.12 0.32 -0.97 1.25 0.00 0.00 0.00 179.25 179.97 2pre h LEU 119 N 0.00 0.80 -1.25 0.00 5.85 -1.10 -2.69 115.31 116.93 2pre h LEU 119 Ca -0.00 -0.62 -0.00 0.00 0.84 0.00 0.00 57.88 58.10 2pre h LEU 119 Cb 0.46 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2pre h LEU 119 CO 0.03 1.42 0.43 0.50 -0.34 0.00 0.00 178.44 180.48 2pre h LYS 120 N 0.37 0.94 -0.45 1.25 3.64 -0.91 0.91 116.57 122.31 2pre h LYS 120 Ca -0.10 -0.08 -0.11 0.00 -1.27 0.00 0.00 60.65 59.09 2pre h LYS 120 Cb 1.61 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 33.22 2pre h LYS 120 CO 0.19 0.65 -0.14 0.87 -2.27 0.00 0.00 179.45 178.74 2pre h LYS 121 N 0.96 0.89 0.12 1.90 1.57 -1.45 -1.01 116.57 119.55 2pre h LYS 121 Ca 0.25 -0.36 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2pre h LYS 121 Cb -0.05 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.22 2pre h LYS 121 CO -0.05 1.01 -0.06 0.00 -0.57 0.00 0.00 179.45 179.78 2pre h ALA 122 N 0.86 -0.16 -0.10 3.86 0.00 -0.95 -2.71 119.26 120.07 2pre h ALA 122 Ca 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2pre h ALA 122 Cb 0.70 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2pre h ALA 122 CO 0.05 -0.49 -0.02 0.28 0.00 0.00 0.00 179.25 179.07 2pre h VAL 123 N -0.35 1.08 0.00 0.00 2.07 -0.86 -0.05 116.25 118.13 2pre h VAL 123 Ca -0.02 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 2pre h VAL 123 Cb 0.29 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2pre h VAL 123 CO 0.03 0.10 -0.01 0.00 0.02 0.00 0.00 177.57 177.70 2pre h ALA 124 N 1.85 1.54 0.08 1.67 0.00 -0.85 -2.91 119.26 120.65 2pre h ALA 124 Ca 0.03 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.60 2pre h ALA 124 Cb 0.13 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2pre h ALA 124 CO 0.00 0.02 -1.85 0.43 0.00 0.00 0.00 179.25 177.85 2pre n SER 125 N -3.88 2.05 -3.57 0.00 7.64 -0.09 -5.04 113.62 110.73 2pre n SER 125 Ca -0.03 0.25 -0.09 0.00 1.01 0.00 0.00 58.87 60.02 2pre n SER 125 Cb 0.10 -0.87 -0.04 0.00 -1.01 0.00 0.00 64.21 62.39 2pre n SER 125 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pre s GLN 126 N -2.50 0.58 0.20 1.43 0.00 -0.83 -5.09 119.66 113.45 2pre s GLN 126 Ca -0.25 0.00 -0.32 0.00 -0.00 0.00 0.00 55.36 54.79 2pre s GLN 126 Cb 0.07 0.27 -0.15 0.00 0.00 0.00 0.00 33.01 33.20 2pre s GLN 126 CO 0.71 -0.21 1.19 -2.30 0.00 0.00 0.00 175.29 174.68 2pre n PRO 127 N 0.40 1.36 -4.53 9.60 -0.02 -1.26 -4.05 135.00 136.49 2pre n PRO 127 Ca -0.08 0.48 -0.25 0.00 -2.02 0.00 0.00 63.50 61.64 2pre n PRO 127 Cb 0.59 -2.00 -0.14 0.00 -0.02 0.00 0.00 33.50 31.94 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 -0.01 2.44 0.22 2.55 0.01 -0.88 -4.77 113.70 113.25 2pre s SER 128 Ca 0.70 -0.56 -0.27 0.00 1.31 0.00 0.00 55.95 57.14 2pre s SER 128 Cb -0.79 -0.18 -0.09 0.00 0.21 0.00 0.00 66.02 65.17 2pre s SER 128 CO 0.53 0.12 0.86 0.68 0.41 0.00 0.00 173.24 175.84 2pre s VAL 129 N -0.90 4.25 0.05 3.43 -7.23 0.54 -0.67 120.40 119.87 2pre s VAL 129 Ca 0.07 1.84 0.00 0.00 -1.81 0.00 0.00 61.98 62.08 2pre s VAL 129 Cb -0.09 -4.18 -0.03 0.00 0.56 0.00 0.00 36.38 32.64 2pre s VAL 129 CO 0.02 0.45 -0.05 0.68 -0.31 0.00 0.00 175.10 175.89 2pre s VAL 130 N -1.24 0.33 -0.15 1.32 -7.23 -0.76 -1.11 120.40 111.56 2pre s VAL 130 Ca 0.40 -1.42 -0.05 0.00 -1.81 0.00 0.00 61.98 59.10 2pre s VAL 130 Cb -0.23 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.68 2pre s VAL 130 CO 0.28 -0.71 -0.00 0.00 -0.31 0.00 0.00 175.10 174.36 2pre s ALA 131 N -2.65 3.17 0.25 1.32 0.00 -1.26 -1.82 121.76 120.77 2pre s ALA 131 Ca -0.02 -0.79 0.04 0.00 0.00 0.00 0.00 51.96 51.19 2pre s ALA 131 Cb -0.01 -1.66 -0.05 0.00 0.00 0.00 0.00 23.12 21.40 2pre s ALA 131 CO -0.04 0.26 -0.01 0.96 0.00 0.00 0.00 175.76 176.92 2pre s ILE 132 N 0.18 1.19 -0.48 0.00 -4.36 0.12 -3.92 121.20 113.93 2pre s ILE 132 Ca 0.01 -2.05 -0.19 0.00 -0.26 0.00 0.00 60.65 58.15 2pre s ILE 132 Cb -0.13 -2.39 0.04 0.00 1.25 0.00 0.00 42.46 41.23 2pre s ILE 132 CO 0.02 -0.30 0.60 -0.62 0.24 0.00 0.00 174.94 174.87 2pre s ASP 133 N -3.35 6.24 -0.33 4.36 -1.08 -0.69 -0.91 116.67 120.91 2pre s ASP 133 Ca 0.29 -0.75 0.07 0.00 -0.52 0.00 0.00 52.55 51.65 2pre s ASP 133 Cb 0.05 -2.28 0.51 0.00 -1.46 0.00 0.00 42.92 39.74 2pre s ASP 133 CO 0.10 -0.81 1.51 0.00 0.52 0.00 0.00 175.17 176.49 2pre n ALA 134 N 6.09 4.64 1.05 3.66 0.00 -1.26 -4.65 120.51 130.04 2pre n ALA 134 Ca -0.06 -3.22 0.11 0.00 0.00 0.00 0.00 53.44 50.28 2pre n ALA 134 Cb 0.46 -0.82 0.14 0.00 0.00 0.00 0.00 19.45 19.23 2pre n ALA 134 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2pre n SER 135 N -1.08 0.95 -4.77 0.00 3.41 -1.26 -4.59 113.62 106.27 2pre n SER 135 Ca 0.38 -0.76 -0.38 0.00 -0.26 0.00 0.00 58.87 57.86 2pre n SER 135 Cb 1.06 0.47 -0.05 0.00 -0.26 0.00 0.00 64.21 65.43 2pre n SER 135 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2pre s SER 136 N -2.83 7.17 0.30 4.04 1.04 -1.26 -4.94 113.70 117.22 2pre s SER 136 Ca 0.14 1.98 -0.02 0.00 0.48 0.00 0.00 55.95 58.53 2pre s SER 136 Cb 0.17 -2.59 0.45 0.00 0.10 0.00 0.00 66.02 64.15 2pre s SER 136 CO 0.70 -0.19 1.94 0.07 0.98 0.00 0.00 173.24 176.74 2pre h LYS 137 N 3.16 1.02 -0.77 4.02 2.10 -1.92 -2.02 116.57 122.16 2pre h LYS 137 Ca -0.47 -0.09 0.05 0.00 -2.00 0.00 0.00 60.65 58.14 2pre h LYS 137 Cb 1.20 -0.22 -0.05 0.00 -0.90 0.00 0.00 32.23 32.26 2pre h LYS 137 CO 0.65 0.71 0.47 1.96 -2.00 0.00 0.00 179.45 181.24 2pre h GLN 138 N 1.04 0.85 -0.05 0.07 7.50 -1.92 -0.79 115.11 121.81 2pre h GLN 138 Ca 0.27 -0.05 -0.01 0.00 0.50 0.00 0.00 58.65 59.36 2pre h GLN 138 Cb -0.05 -0.19 -0.00 0.00 0.05 0.00 0.00 27.48 27.29 2pre h GLN 138 CO -0.05 0.56 -0.01 0.35 -1.50 0.00 0.00 178.83 178.18 2pre h PHE 139 N 0.88 0.11 0.00 2.96 3.57 -1.64 -2.41 116.94 120.40 2pre h PHE 139 Ca 0.33 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.79 2pre h PHE 139 Cb 0.12 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 2pre h PHE 139 CO -0.05 0.42 -0.07 1.96 -2.23 0.00 0.00 178.31 178.34 2pre h GLN 140 N -0.23 0.00 -0.45 1.11 4.20 -1.11 -2.14 115.11 116.49 2pre h GLN 140 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2pre h GLN 140 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2pre h GLN 140 CO 0.00 0.07 0.00 0.72 -0.67 0.00 0.00 178.83 178.96 2pre n HIS 141 N -3.64 1.27 -1.77 2.96 8.25 -0.33 -4.96 115.22 117.00 2pre n HIS 141 Ca -0.02 -0.72 -0.40 0.00 -0.26 0.00 0.00 57.72 56.32 2pre n HIS 141 Cb 0.18 -0.30 0.02 0.00 1.12 0.00 0.00 29.99 31.01 2pre n HIS 141 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2pre s TYR 142 N -2.30 2.44 0.00 4.41 5.04 -0.81 -4.93 117.35 121.20 2pre s TYR 142 Ca 0.45 1.24 0.00 0.00 -2.44 0.00 0.00 57.07 56.31 2pre s TYR 142 Cb 0.32 -3.96 0.00 0.00 0.35 0.00 0.00 41.96 38.68 2pre s TYR 142 CO 0.16 -3.03 0.00 1.63 -1.34 0.00 0.00 175.55 172.97 2pre n LYS 143 N -0.16 0.39 -3.76 4.97 5.02 -1.26 -1.94 118.16 121.43 2pre n LYS 143 Ca 0.05 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.31 2pre n LYS 143 Cb 0.41 -0.73 -0.01 0.00 -0.02 0.00 0.00 35.03 34.68 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 -3.15 -0.16 0.00 4.39 1.04 -1.26 -3.18 113.70 111.38 2pre s SER 144 Ca 0.00 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.02 2pre s SER 144 Cb 0.00 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.60 2pre s SER 144 CO 0.00 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.94 2pre n GLY 145 N -0.48 -0.83 3.51 7.32 0.00 -1.26 -4.76 105.19 108.68 2pre n GLY 145 Ca -0.06 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.64 4.15 0.33 -0.61 1.01 -1.26 -4.27 121.20 118.91 2pre s ILE 146 Ca 0.00 0.12 -0.29 0.00 0.00 0.00 0.00 60.65 60.48 2pre s ILE 146 Cb 0.00 -4.71 -0.11 0.00 0.01 0.00 0.00 42.46 37.64 2pre s ILE 146 CO 0.00 -1.47 1.54 0.33 0.00 0.00 0.00 174.94 175.34 2pre n PHE 147 N 8.16 2.91 -0.95 3.97 7.35 0.02 -4.78 117.46 134.15 2pre n PHE 147 Ca 0.00 0.35 0.00 0.00 -0.76 0.00 0.00 57.45 57.05 2pre n PHE 147 Cb 0.47 -2.56 0.01 0.00 0.35 0.00 0.00 39.48 37.74 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 1.33 0.48 0.00 -2.13 3.41 -1.26 -1.51 113.62 113.94 2pre n SER 148 Ca 0.05 -1.42 0.00 0.00 -0.26 0.00 0.00 58.87 57.24 2pre n SER 148 Cb 0.38 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 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 -0.16 0.88 3.92 5.00 0.00 -1.26 -4.94 105.19 108.62 2pre n GLY 149 Ca 0.01 -2.23 -0.26 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.96 3.40 -0.30 1.61 0.04 -1.26 -4.95 135.00 132.58 2pre s PRO 150 Ca 0.00 0.05 -0.24 0.00 0.04 0.00 0.00 61.00 60.85 2pre s PRO 150 Cb 0.00 -2.40 0.19 0.00 0.04 0.00 0.00 34.50 32.32 2pre s PRO 150 CO 0.00 -0.25 1.39 0.00 0.04 0.00 0.00 177.00 178.18 2pre n GLY 152 N 1.78 -0.94 0.38 0.00 0.00 -1.26 -4.30 105.19 100.86 2pre n GLY 152 Ca -0.11 -1.66 0.08 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.29 2.06 -2.49 2.61 -2.24 -1.26 -4.03 114.28 107.64 2pre n THR 153 Ca 0.00 -2.42 -0.43 0.00 -2.27 0.00 0.00 64.05 58.93 2pre n THR 153 Cb 0.00 -0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 67.96 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 -2.96 3.70 -0.15 -0.78 1.02 -1.26 -4.80 119.74 114.51 2pre s LYS 154 Ca 0.36 0.80 -0.29 0.00 0.02 0.00 0.00 55.97 56.85 2pre s LYS 154 Cb 0.32 -3.94 -0.05 0.00 -0.52 0.00 0.00 37.83 33.64 2pre s LYS 154 CO 0.02 -1.41 1.79 -0.51 -0.92 0.00 0.00 175.35 174.32 2pre s LEU 155 N 4.80 3.98 0.00 3.17 1.43 -1.26 -3.62 118.68 127.18 2pre s LEU 155 Ca 0.54 1.95 0.00 0.00 -1.03 0.00 0.00 54.13 55.59 2pre s LEU 155 Cb -0.11 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.58 2pre s LEU 155 CO 0.31 -1.29 0.00 -0.46 0.23 0.00 0.00 176.35 175.13 2pre n ASN 156 N 8.64 0.00 -3.74 2.29 0.23 -0.82 -4.98 115.26 116.88 2pre n ASN 156 Ca 0.21 -0.59 -0.15 0.00 -0.53 0.00 0.00 54.58 53.52 2pre n ASN 156 Cb 0.44 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 37.99 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 -0.10 -0.21 -2.53 5.04 -0.09 -4.89 115.29 112.51 2pre s HIS 157 Ca 0.00 0.39 -0.10 0.00 -1.54 0.00 0.00 55.06 53.80 2pre s HIS 157 Cb 0.00 -0.17 -0.05 0.00 0.04 0.00 0.00 32.58 32.40 2pre s HIS 157 CO 0.00 -0.16 0.15 0.20 -2.34 0.00 0.00 174.74 172.59 2pre s GLY 158 N 1.31 2.04 0.16 1.59 0.00 -1.26 0.15 107.32 111.31 2pre s GLY 158 Ca -0.07 -0.72 0.02 0.00 0.00 0.00 0.00 44.72 43.95 2pre s GLY 158 CO -0.05 0.22 0.08 3.33 0.00 0.00 0.00 173.10 176.69 2pre n VAL 159 N 3.71 0.00 -4.65 1.40 0.24 -0.76 -4.63 118.33 113.64 2pre n VAL 159 Ca -0.15 -1.02 -0.24 0.00 -2.04 0.00 0.00 64.34 60.89 2pre n VAL 159 Cb 0.52 0.41 -0.16 0.00 -1.47 0.00 0.00 33.84 33.15 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 -2.32 1.16 -0.25 3.34 1.01 -1.03 -1.83 120.40 120.49 2pre s VAL 160 Ca 0.12 -0.57 -0.18 0.00 0.00 0.00 0.00 61.98 61.35 2pre s VAL 160 Cb 0.01 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 2pre s VAL 160 CO 0.08 0.34 0.50 -0.63 0.00 0.00 0.00 175.10 175.40 2pre s ILE 161 N 0.09 5.09 -1.85 2.22 1.01 0.15 -0.26 121.20 127.65 2pre s ILE 161 Ca -0.03 0.86 0.16 0.00 0.00 0.00 0.00 60.65 61.64 2pre s ILE 161 Cb -0.10 -3.82 0.21 0.00 0.01 0.00 0.00 42.46 38.76 2pre s ILE 161 CO 0.01 0.11 1.11 1.33 0.00 0.00 0.00 174.94 177.50 2pre n VAL 162 N 5.06 0.26 -0.58 2.92 0.24 0.47 -2.07 118.33 124.63 2pre n VAL 162 Ca -0.05 -0.63 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 2pre n VAL 162 Cb 0.50 1.12 0.00 0.00 -1.47 0.00 0.00 33.84 33.99 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 0.93 -2.10 3.36 7.63 0.00 -1.22 -0.61 105.19 113.17 2pre n GLY 163 Ca 0.11 -1.19 -0.14 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.16 -0.44 0.00 1.61 -0.85 0.36 0.39 117.35 116.25 2pre s TYR 164 Ca 0.00 0.95 0.00 0.00 -0.52 0.00 0.00 57.07 57.50 2pre s TYR 164 Cb 0.00 0.19 0.00 0.00 0.38 0.00 0.00 41.96 42.53 2pre s TYR 164 CO 0.00 -0.35 0.00 1.87 -1.52 0.00 0.00 175.55 175.55 2pre n TRP 165 N 2.07 0.00 0.00 -3.49 -0.00 -0.79 -1.67 117.44 113.56 2pre n TRP 165 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.33 2pre n TRP 165 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.88 2pre n TRP 165 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 2pre n LYS 166 N 0.00 0.00 -1.22 5.87 5.02 -1.26 -4.48 118.16 122.08 2pre n LYS 166 Ca 0.00 0.12 0.03 0.00 -2.02 0.00 0.00 58.31 56.43 2pre n LYS 166 Cb 0.00 -0.95 0.11 0.00 -0.02 0.00 0.00 35.03 34.17 2pre n LYS 166 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2pre n ASP 167 N -0.56 1.64 -4.09 4.39 5.75 -1.26 -5.05 116.55 117.37 2pre n ASP 167 Ca 0.00 -2.98 -0.10 0.00 -0.01 0.00 0.00 54.79 51.69 2pre n ASP 167 Cb 0.00 -0.42 -0.08 0.00 -1.03 0.00 0.00 41.12 39.59 2pre n ASP 167 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 2pre s TYR 168 N -1.96 0.74 0.08 2.11 1.13 -1.26 0.88 117.35 119.07 2pre s TYR 168 Ca 0.37 -1.04 0.02 0.00 -1.41 0.00 0.00 57.07 55.00 2pre s TYR 168 Cb 0.38 -0.20 -0.04 0.00 -1.10 0.00 0.00 41.96 41.00 2pre s TYR 168 CO -0.10 -0.79 0.12 -1.58 -2.51 0.00 0.00 175.55 170.69 2pre s TRP 169 N -4.08 3.29 -0.45 -3.49 0.52 0.25 -1.89 118.94 113.09 2pre s TRP 169 Ca 0.29 0.13 -0.15 0.00 0.02 0.00 0.00 56.10 56.39 2pre s TRP 169 Cb 0.03 -1.66 0.06 0.00 -1.15 0.00 0.00 33.47 30.75 2pre s TRP 169 CO 0.09 0.54 0.37 0.42 0.02 0.00 0.00 176.95 178.39 2pre s ILE 170 N -1.43 5.24 -0.17 2.03 1.01 0.16 -1.25 121.20 126.78 2pre s ILE 170 Ca 0.31 -0.94 -0.06 0.00 0.00 0.00 0.00 60.65 59.96 2pre s ILE 170 Cb -0.12 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 2pre s ILE 170 CO 0.24 -0.50 0.04 -0.69 0.00 0.00 0.00 174.94 174.04 2pre s VAL 171 N 1.65 4.61 -0.29 2.92 1.01 -0.56 -0.40 120.40 129.35 2pre s VAL 171 Ca 0.04 -0.10 -0.11 0.00 0.00 0.00 0.00 61.98 61.81 2pre s VAL 171 Cb -0.23 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 2pre s VAL 171 CO 0.08 0.48 0.21 -0.60 0.00 0.00 0.00 175.10 175.26 2pre s ARG 172 N 0.27 3.89 0.60 2.72 3.52 0.64 -1.45 118.95 129.14 2pre s ARG 172 Ca 0.02 -0.35 0.07 0.00 -0.13 0.00 0.00 55.73 55.34 2pre s ARG 172 Cb -0.13 -3.68 0.09 0.00 -1.56 0.00 0.00 34.95 29.68 2pre s ARG 172 CO 0.01 -0.22 0.83 1.21 -0.81 0.00 0.00 175.30 176.32 2pre s ASN 173 N 1.75 4.93 -0.22 -2.12 3.04 -0.94 -2.46 114.94 118.93 2pre s ASN 173 Ca 0.07 -0.71 0.12 0.00 0.04 0.00 0.00 52.86 52.38 2pre s ASN 173 Cb -0.16 0.18 0.44 0.00 -1.54 0.00 0.00 41.25 40.17 2pre s ASN 173 CO 0.11 -1.45 1.20 -1.54 -3.04 0.00 0.00 177.10 172.38 2pre n SER 174 N -2.38 2.72 -1.86 -4.21 3.41 -1.26 -4.62 113.62 105.43 2pre n SER 174 Ca 0.15 -3.56 -0.21 0.00 -0.26 0.00 0.00 58.87 54.99 2pre n SER 174 Cb 0.61 -0.44 0.10 0.00 -0.26 0.00 0.00 64.21 64.22 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 -0.80 2.39 -0.44 7.33 8.01 -1.23 -0.28 117.44 132.41 2pre n TRP 175 Ca 0.25 -2.24 0.06 0.00 -1.31 0.00 0.00 57.50 54.26 2pre n TRP 175 Cb 0.83 -0.75 -0.02 0.00 -2.01 0.00 0.00 31.31 29.37 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 -0.93 -1.68 0.09 6.99 0.00 -0.99 -4.30 105.19 104.37 2pre n GLY 176 Ca 0.47 -1.41 0.13 0.00 0.00 0.00 0.00 46.02 45.21 2pre n GLY 176 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2pre h ARG 177 N -0.41 0.00 -0.40 1.61 3.08 -1.88 -3.30 114.38 113.07 2pre h ARG 177 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2pre h ARG 177 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 2pre h ARG 177 CO 0.01 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.57 2pre n TYR 178 N -2.23 0.37 -5.02 3.04 4.02 -1.26 -3.20 117.16 112.88 2pre n TYR 178 Ca 0.05 -0.16 -0.31 0.00 -0.01 0.00 0.00 57.90 57.46 2pre n TYR 178 Cb 0.44 -0.06 -0.14 0.00 -0.02 0.00 0.00 39.34 39.55 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 -1.66 2.47 0.00 -0.72 -0.00 -1.25 -5.01 118.94 112.77 2pre s TRP 179 Ca 0.14 -0.33 0.00 0.00 -0.00 0.00 0.00 56.10 55.92 2pre s TRP 179 Cb 0.09 -1.51 0.00 0.00 -0.00 0.00 0.00 33.47 32.05 2pre s TRP 179 CO 0.08 0.10 0.00 0.41 -0.00 0.00 0.00 176.95 177.54 2pre n GLY 180 N 2.13 1.61 3.44 5.86 0.00 -0.82 -1.32 105.19 116.10 2pre n GLY 180 Ca -0.16 -0.48 -0.44 0.00 0.00 0.00 0.00 46.02 44.94 2pre n GLY 180 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pre s GLU 181 N 0.00 4.01 -1.47 1.61 2.02 0.18 -4.40 118.70 120.64 2pre s GLU 181 Ca 0.00 -2.54 -0.07 0.00 0.02 0.00 0.00 54.97 52.38 2pre s GLU 181 Cb 0.00 -4.94 0.02 0.00 0.10 0.00 0.00 34.13 29.31 2pre s GLU 181 CO 0.00 -1.67 0.85 1.04 0.02 0.00 0.00 175.26 175.50 2pre n GLN 182 N 5.30 -6.02 0.00 1.61 1.13 -1.24 -1.80 117.38 116.38 2pre n GLN 182 Ca 0.32 0.83 0.00 0.00 -1.94 0.00 0.00 57.00 56.20 2pre n GLN 182 Cb 0.43 -5.76 0.00 0.00 0.11 0.00 0.00 30.24 25.03 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 -1.70 2.02 3.64 1.08 0.00 -0.43 -4.66 105.19 105.14 2pre n GLY 183 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.53 2.77 -0.03 1.61 1.51 -0.74 -2.20 117.35 117.74 2pre s TYR 184 Ca 0.00 -0.17 0.03 0.00 -1.01 0.00 0.00 57.07 55.92 2pre s TYR 184 Cb 0.00 -1.32 0.00 0.00 -0.11 0.00 0.00 41.96 40.53 2pre s TYR 184 CO 0.00 0.53 -0.11 -1.50 -1.11 0.00 0.00 175.55 173.36 2pre s ILE 185 N -1.83 0.98 -0.25 2.71 2.07 -0.53 0.47 121.20 124.83 2pre s ILE 185 Ca 0.28 -0.47 -0.14 0.00 -1.41 0.00 0.00 60.65 58.90 2pre s ILE 185 Cb -0.09 -0.86 -0.04 0.00 0.13 0.00 0.00 42.46 41.60 2pre s ILE 185 CO 0.18 0.30 0.34 -0.13 -1.91 0.00 0.00 174.94 173.72 2pre s ARG 186 N 0.14 4.07 -0.18 3.50 0.52 -1.26 -1.50 118.95 124.24 2pre s ARG 186 Ca -0.03 0.03 -0.03 0.00 -0.52 0.00 0.00 55.73 55.18 2pre s ARG 186 Cb -0.09 -3.61 -0.02 0.00 0.52 0.00 0.00 34.95 31.75 2pre s ARG 186 CO 0.01 -0.16 -0.07 -1.64 0.02 0.00 0.00 175.30 173.46 2pre s MET 187 N 1.70 3.47 0.29 3.54 -1.94 -0.38 -0.80 119.30 125.18 2pre s MET 187 Ca 0.15 -0.61 -0.30 0.00 -1.71 0.00 0.00 55.69 53.22 2pre s MET 187 Cb -0.15 -2.87 -0.12 0.00 2.01 0.00 0.00 34.83 33.69 2pre s MET 187 CO 0.09 0.05 1.50 1.17 -0.01 0.00 0.00 175.02 177.82 2pre n LYS 188 N 4.06 2.43 -2.79 2.03 4.81 -0.57 0.84 118.16 128.97 2pre n LYS 188 Ca -0.18 0.86 -0.43 0.00 -0.87 0.00 0.00 58.31 57.70 2pre n LYS 188 Cb 0.52 -2.58 -0.04 0.00 0.02 0.00 0.00 35.03 32.95 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 -0.73 3.82 0.00 1.64 0.52 0.25 -4.50 118.95 119.95 2pre s ARG 189 Ca 0.64 0.56 0.01 0.00 -0.52 0.00 0.00 55.73 56.42 2pre s ARG 189 Cb -0.55 -3.82 0.00 0.00 0.52 0.00 0.00 34.95 31.11 2pre s ARG 189 CO 0.51 -0.99 0.33 1.33 0.02 0.00 0.00 175.30 176.51 2pre n VAL 190 N 6.05 0.00 -3.68 3.52 0.24 -1.26 -4.89 118.33 118.31 2pre n VAL 190 Ca 0.07 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 2pre n VAL 190 Cb 0.48 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.86 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 0.46 -2.11 7.00 7.63 0.00 -1.26 -4.91 105.19 112.00 2pre n GLY 191 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.05 2.48 1.05 -0.02 0.00 -1.26 -0.80 105.19 106.59 2pre n GLY 192 Ca 0.00 -0.41 0.06 0.00 0.00 0.00 0.00 46.02 45.67 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 0.88 -2.19 3.74 0.00 0.00 0.02 -1.33 105.19 106.31 2pre n GLY 194 Ca 0.16 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 2pre n GLY 194 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2pre s LEU 195 N -5.22 4.43 -2.00 0.99 2.96 -1.26 -1.84 118.68 116.75 2pre s LEU 195 Ca 0.00 2.30 0.00 0.00 -0.22 0.00 0.00 54.13 56.21 2pre s LEU 195 Cb 0.00 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.08 2pre s LEU 195 CO 0.00 -0.44 0.00 0.00 -1.32 0.00 0.00 176.35 174.59 2pre n GLY 197 N -0.31 1.07 0.31 0.00 0.00 -0.77 -1.70 105.19 103.80 2pre n GLY 197 Ca -0.19 -0.37 0.16 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 -0.26 -0.61 2.10 -1.05 0.48 117.51 118.17 2pre h ILE 198 Ca -0.29 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.65 2pre h ILE 198 Cb 0.97 0.71 0.00 0.00 -1.09 0.00 0.00 36.82 37.41 2pre h ILE 198 CO 0.40 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.47 2pre n ALA 199 N -1.90 2.45 -0.03 0.18 0.00 -0.44 -4.43 120.51 116.34 2pre n ALA 199 Ca -0.02 -0.83 -0.12 0.00 0.00 0.00 0.00 53.44 52.47 2pre n ALA 199 Cb 0.28 -0.91 -0.06 0.00 0.00 0.00 0.00 19.45 18.76 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 4.08 0.20 -2.02 0.00 3.08 -0.92 0.77 114.38 119.56 2pre h ARG 200 Ca 0.00 -0.05 -0.53 0.00 0.07 0.00 0.00 59.98 59.47 2pre h ARG 200 Cb 0.89 -0.02 -0.40 0.00 0.08 0.00 0.00 29.97 30.52 2pre h ARG 200 CO 0.00 0.38 -1.09 -0.11 -1.07 0.00 0.00 179.97 178.08 2pre n LEU 201 N -4.84 0.83 -4.83 3.04 7.94 -1.26 -4.23 117.00 113.65 2pre n LEU 201 Ca -0.06 -4.90 -0.35 0.00 -1.11 0.00 0.00 56.01 49.59 2pre n LEU 201 Cb 0.17 0.54 -0.06 0.00 0.53 0.00 0.00 43.42 44.59 2pre n LEU 201 CO 0.35 2.17 0.36 -2.16 -1.11 0.00 0.00 177.39 177.00 2pre s PRO 202 N -1.83 4.12 0.15 1.96 0.05 -1.26 -4.14 135.00 134.04 2pre s PRO 202 Ca 0.38 0.71 -0.03 0.00 0.05 0.00 0.00 61.00 62.10 2pre s PRO 202 Cb 0.24 -2.80 -0.03 0.00 0.05 0.00 0.00 34.50 31.96 2pre s PRO 202 CO -0.09 0.37 0.13 0.71 0.05 0.00 0.00 177.00 178.16 2pre s TYR 203 N -1.61 0.77 -0.17 0.56 1.51 -0.26 -0.72 117.35 117.43 2pre s TYR 203 Ca 0.44 -1.12 -0.27 0.00 -1.01 0.00 0.00 57.07 55.11 2pre s TYR 203 Cb -0.15 -0.37 0.07 0.00 -0.11 0.00 0.00 41.96 41.40 2pre s TYR 203 CO 0.20 -0.59 0.68 1.52 -1.11 0.00 0.00 175.55 176.25 2pre s TYR 204 N -4.04 -0.71 0.82 2.71 -0.85 -0.92 -0.34 117.35 114.02 2pre s TYR 204 Ca 0.24 1.53 -0.12 0.00 -0.52 0.00 0.00 57.07 58.19 2pre s TYR 204 Cb 0.06 0.32 0.08 0.00 0.38 0.00 0.00 41.96 42.81 2pre s TYR 204 CO 0.03 -0.47 1.17 -1.25 -1.52 0.00 0.00 175.55 173.50 2pre s PRO 205 N -0.33 1.90 0.05 -3.49 0.04 -1.26 -1.57 135.00 130.33 2pre s PRO 205 Ca -0.05 0.17 0.05 0.00 0.04 0.00 0.00 61.00 61.20 2pre s PRO 205 Cb -0.03 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 2pre s PRO 205 CO 0.05 -1.65 -0.13 0.95 0.04 0.00 0.00 177.00 176.25 2pre s THR 206 N -3.52 1.04 -0.16 1.26 -4.23 0.02 -4.83 115.64 105.22 2pre s THR 206 Ca 0.62 -1.12 -0.13 0.00 -1.18 0.00 0.00 61.69 59.88 2pre s THR 206 Cb -0.12 -0.98 0.05 0.00 1.34 0.00 0.00 72.50 72.79 2pre s THR 206 CO 0.50 -0.13 0.42 -0.75 -0.54 0.00 0.00 174.62 174.12 2pre s LYS 207 N -1.41 0.46 0.00 3.99 2.20 -1.26 -1.38 119.74 122.34 2pre s LYS 207 Ca -0.01 0.66 0.13 0.00 -0.36 0.00 0.00 55.97 56.38 2pre s LYS 207 Cb -0.09 0.15 0.75 0.00 -1.51 0.00 0.00 37.83 37.14 2pre s LYS 207 CO 0.02 -0.09 1.18 0.00 -0.36 0.00 0.00 175.35 176.10