#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 7tim s ARG 3 N 0.00 4.24 0.25 0.00 0.52 -1.26 -5.01 118.95 117.68 7tim s ARG 3 Ca 0.00 0.97 -0.30 0.00 -0.52 0.00 0.00 55.73 55.88 7tim s ARG 3 Cb 0.00 -3.61 -0.09 0.00 0.52 0.00 0.00 34.95 31.76 7tim s ARG 3 CO 0.00 -0.43 1.33 0.99 0.02 0.00 0.00 175.30 177.21 7tim s THR 4 N 2.51 2.98 0.30 0.02 2.01 -1.26 -4.96 115.64 117.23 7tim s THR 4 Ca 0.36 0.85 -0.30 0.00 0.31 0.00 0.00 61.69 62.92 7tim s THR 4 Cb -0.16 -3.54 -0.12 0.00 0.01 0.00 0.00 72.50 68.69 7tim s THR 4 CO 0.10 0.15 1.54 0.33 -0.69 0.00 0.00 174.62 176.05 7tim n PHE 5 N 2.07 2.73 -3.93 4.92 7.35 -1.26 -4.88 117.46 124.46 7tim n PHE 5 Ca 0.04 0.32 -0.24 0.00 -0.76 0.00 0.00 57.45 56.81 7tim n PHE 5 Cb 0.42 -2.56 -0.17 0.00 0.35 0.00 0.00 39.48 37.52 7tim n PHE 5 CO 0.00 0.00 0.00 0.12 -0.76 0.00 0.00 176.76 176.12 7tim s PHE 6 N -0.18 0.99 -0.19 -5.13 2.19 -0.87 -1.65 117.98 113.14 7tim s PHE 6 Ca 0.63 -0.38 0.00 0.00 0.33 0.00 0.00 56.93 57.51 7tim s PHE 6 Cb -0.52 -0.93 0.01 0.00 -1.31 0.00 0.00 43.02 40.27 7tim s PHE 6 CO 0.51 -0.36 -0.17 0.08 1.83 0.00 0.00 175.22 177.11 7tim s VAL 7 N 1.62 2.29 -0.11 3.12 1.01 0.11 -1.02 120.40 127.41 7tim s VAL 7 Ca 0.01 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 7tim s VAL 7 Cb -0.13 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 7tim s VAL 7 CO -0.05 0.52 0.05 -0.83 0.00 0.00 0.00 175.10 174.79 7tim s GLY 8 N 1.31 1.95 -0.37 4.51 0.00 0.31 -1.33 107.32 113.69 7tim s GLY 8 Ca 0.05 -0.75 -0.10 0.00 0.00 0.00 0.00 44.72 43.92 7tim s GLY 8 CO -0.11 -0.42 0.20 -0.32 0.00 0.00 0.00 173.10 172.45 7tim s GLY 9 N -0.73 1.92 -0.76 0.20 0.00 0.39 -0.61 107.32 107.73 7tim s GLY 9 Ca 0.12 -1.75 -0.15 0.00 0.00 0.00 0.00 44.72 42.94 7tim s GLY 9 CO 0.02 0.85 0.73 0.21 0.00 0.00 0.00 173.10 174.92 7tim s ASN 10 N 1.57 6.61 0.50 1.64 2.47 0.13 0.28 114.94 128.13 7tim s ASN 10 Ca 0.02 -2.40 0.20 0.00 0.42 0.00 0.00 52.86 51.10 7tim s ASN 10 Cb -0.19 -2.23 1.30 0.00 -1.45 0.00 0.00 41.25 38.68 7tim s ASN 10 CO 0.06 -0.69 2.08 -0.26 -3.72 0.00 0.00 177.10 174.57 7tim h PHE 11 N 8.15 0.00 0.00 0.43 0.04 -1.50 -3.39 116.94 120.67 7tim h PHE 11 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 7tim h PHE 11 Cb 1.05 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.20 7tim h PHE 11 CO 0.97 0.11 0.00 1.63 -0.60 0.00 0.00 178.31 180.42 7tim n LYS 12 N -4.12 0.00 -2.79 1.51 5.02 -1.26 -3.58 118.16 112.94 7tim n LYS 12 Ca -0.02 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.83 7tim n LYS 12 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.20 7tim n LYS 12 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 7tim n LEU 13 N 0.00 6.15 -3.78 -0.35 7.94 -1.26 -4.16 117.00 121.54 7tim n LEU 13 Ca 0.00 -4.83 -0.13 0.00 -1.11 0.00 0.00 56.01 49.94 7tim n LEU 13 Cb 0.00 -1.45 -0.11 0.00 0.53 0.00 0.00 43.42 42.40 7tim n LEU 13 CO 0.00 1.34 -0.05 0.20 -1.11 0.00 0.00 177.39 177.77 7tim s ASN 14 N 0.54 -0.25 0.00 1.96 0.01 -1.23 -5.12 114.94 110.84 7tim s ASN 14 Ca 0.36 0.42 0.00 0.00 -0.71 0.00 0.00 52.86 52.94 7tim s ASN 14 Cb 0.03 0.50 0.00 0.00 0.41 0.00 0.00 41.25 42.19 7tim s ASN 14 CO 0.02 -0.18 0.00 0.61 -1.51 0.00 0.00 177.10 176.04 7tim n GLY 15 N 2.52 3.70 3.43 0.66 0.00 -1.26 -4.54 105.19 109.70 7tim n GLY 15 Ca -0.15 -1.78 -0.11 0.00 0.00 0.00 0.00 46.02 43.98 7tim n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 7tim s SER 16 N 0.00 0.23 0.31 1.61 1.04 -1.26 -4.99 113.70 110.64 7tim s SER 16 Ca 0.00 -1.21 0.02 0.00 0.48 0.00 0.00 55.95 55.23 7tim s SER 16 Cb 0.00 0.53 0.51 0.00 0.10 0.00 0.00 66.02 67.16 7tim s SER 16 CO 0.00 -1.06 1.86 0.11 0.98 0.00 0.00 173.24 175.12 7tim h LYS 17 N 2.35 0.67 -0.05 4.02 1.57 -2.01 0.31 116.57 123.44 7tim h LYS 17 Ca -0.30 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.34 7tim h LYS 17 Cb 1.25 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.45 7tim h LYS 17 CO 0.42 0.64 0.01 0.37 -0.57 0.00 0.00 179.45 180.32 7tim h GLN 18 N 0.65 0.08 -0.25 3.15 5.75 -1.98 0.34 115.11 122.84 7tim h GLN 18 Ca 0.14 -0.02 -0.14 0.00 -0.15 0.00 0.00 58.65 58.49 7tim h GLN 18 Cb 0.30 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.84 7tim h GLN 18 CO 0.00 0.27 -0.38 0.77 -2.65 0.00 0.00 178.83 176.84 7tim h SER 19 N -0.13 0.77 -0.03 -0.69 0.02 -1.93 -2.76 113.55 108.81 7tim h SER 19 Ca 0.02 -0.52 -0.00 0.00 -0.84 0.00 0.00 61.79 60.45 7tim h SER 19 Cb 0.23 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 7tim h SER 19 CO -0.00 1.14 0.01 0.40 -1.14 0.00 0.00 176.83 177.24 7tim h ILE 20 N 0.42 1.11 -0.80 3.27 1.08 -0.83 -1.76 117.51 120.01 7tim h ILE 20 Ca 0.02 -0.32 0.12 0.00 -0.39 0.00 0.00 64.86 64.28 7tim h ILE 20 Cb 0.97 1.28 -0.13 0.00 -3.07 0.00 0.00 36.82 35.87 7tim h ILE 20 CO 0.09 0.09 -0.43 0.50 -0.69 0.00 0.00 178.15 177.71 7tim h LYS 21 N -0.09 -0.09 -1.01 2.37 3.64 -0.34 0.24 116.57 121.29 7tim h LYS 21 Ca 0.01 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.48 7tim h LYS 21 Cb 0.13 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.90 7tim h LYS 21 CO -0.00 -0.06 0.65 1.49 -2.27 0.00 0.00 179.45 179.25 7tim h GLU 22 N -0.10 1.10 0.17 1.90 4.81 -1.14 0.25 114.58 121.58 7tim h GLU 22 Ca 0.25 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 7tim h GLU 22 Cb 0.55 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.69 7tim h GLU 22 CO -0.84 0.73 -0.08 0.82 -0.73 0.00 0.00 179.01 178.90 7tim h ILE 23 N 1.14 0.87 -0.98 2.32 2.04 -0.18 -2.29 117.51 120.43 7tim h ILE 23 Ca 0.45 -1.04 0.04 0.00 1.00 0.00 0.00 64.86 65.31 7tim h ILE 23 Cb 0.25 1.42 -0.06 0.00 -0.74 0.00 0.00 36.82 37.70 7tim h ILE 23 CO -0.20 0.21 0.64 0.58 0.00 0.00 0.00 178.15 179.38 7tim h VAL 24 N -0.81 1.15 -0.42 1.67 2.07 -0.85 -1.35 116.25 117.71 7tim h VAL 24 Ca -0.02 -0.42 -0.13 0.00 0.82 0.00 0.00 66.70 66.95 7tim h VAL 24 Cb 0.52 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 7tim h VAL 24 CO 0.04 0.22 -0.23 -0.33 0.02 0.00 0.00 177.57 177.29 7tim h GLU 25 N 1.22 0.90 -0.87 1.57 5.08 -0.55 -0.41 114.58 121.53 7tim h GLU 25 Ca 0.40 -0.41 0.13 0.00 -1.00 0.00 0.00 59.36 58.48 7tim h GLU 25 Cb 0.03 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.20 7tim h GLU 25 CO -0.13 1.06 0.56 -0.09 -1.00 0.00 0.00 179.01 179.41 7tim h ARG 26 N 0.73 0.71 -0.21 2.33 2.43 -0.74 -0.99 114.38 118.64 7tim h ARG 26 Ca 0.09 -0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 59.03 7tim h ARG 26 Cb 0.80 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 30.20 7tim h ARG 26 CO 0.07 0.47 -0.61 -0.07 -1.51 0.00 0.00 179.97 178.31 7tim h LEU 27 N 0.73 0.90 -0.51 3.80 3.38 -0.74 -2.03 115.31 120.84 7tim h LEU 27 Ca 0.43 -0.58 0.03 0.00 0.09 0.00 0.00 57.88 57.84 7tim h LEU 27 Cb 0.62 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 7tim h LEU 27 CO -0.19 1.32 0.30 0.78 0.09 0.00 0.00 178.44 180.74 7tim h ASN 28 N 0.52 0.48 -0.25 -0.43 2.35 0.22 -3.21 115.58 115.27 7tim h ASN 28 Ca -0.02 0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.60 7tim h ASN 28 Cb 1.23 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 39.51 7tim h ASN 28 CO 0.13 0.34 -0.40 0.74 -1.65 0.00 0.00 177.43 176.59 7tim h THR 29 N 0.60 1.31 -3.80 2.81 2.02 -1.41 -3.46 112.91 110.96 7tim h THR 29 Ca 0.21 -1.60 -0.56 0.00 0.77 0.00 0.00 66.41 65.22 7tim h THR 29 Cb 0.03 1.72 0.16 0.00 -1.74 0.00 0.00 68.15 68.32 7tim h THR 29 CO -0.10 0.51 0.35 0.00 0.37 0.00 0.00 175.52 176.65 7tim n ALA 30 N -2.53 0.79 -2.55 6.16 0.00 -0.77 -4.98 120.51 116.64 7tim n ALA 30 Ca -0.05 0.05 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 7tim n ALA 30 Cb 0.54 -2.23 -0.05 0.00 0.00 0.00 0.00 19.45 17.71 7tim n ALA 30 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 7tim s SER 31 N -1.18 6.45 0.03 0.00 0.01 -1.26 -5.02 113.70 112.73 7tim s SER 31 Ca 0.76 -0.02 0.02 0.00 1.31 0.00 0.00 55.95 58.03 7tim s SER 31 Cb -0.41 -2.41 -0.02 0.00 0.21 0.00 0.00 66.02 63.39 7tim s SER 31 CO 0.46 -0.96 -0.08 0.27 0.41 0.00 0.00 173.24 173.34 7tim s ILE 32 N 3.46 0.56 0.63 1.44 -4.36 -1.26 -4.93 121.20 116.74 7tim s ILE 32 Ca 0.33 -0.84 -0.17 0.00 -0.26 0.00 0.00 60.65 59.70 7tim s ILE 32 Cb -0.11 -0.58 -0.06 0.00 1.25 0.00 0.00 42.46 42.96 7tim s ILE 32 CO 0.24 -0.21 0.70 -0.81 0.24 0.00 0.00 174.94 175.09 7tim n PRO 33 N 1.90 0.58 0.02 0.37 -0.04 -1.26 -4.89 135.00 131.68 7tim n PRO 33 Ca -0.20 0.23 0.14 0.00 -0.04 0.00 0.00 63.50 63.63 7tim n PRO 33 Cb 0.56 -1.92 0.52 0.00 -0.04 0.00 0.00 33.50 32.61 7tim n PRO 33 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 7tim n GLU 34 N -0.67 0.06 -1.65 0.54 0.28 -1.26 -3.93 120.64 114.02 7tim n GLU 34 Ca 0.12 0.05 -0.32 0.00 -0.16 0.00 0.00 57.16 56.85 7tim n GLU 34 Cb 0.48 -1.57 -0.02 0.00 1.43 0.00 0.00 31.44 31.77 7tim n GLU 34 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 7tim n ASN 35 N -1.68 6.91 -4.10 -1.84 2.04 -1.26 -4.89 115.26 110.44 7tim n ASN 35 Ca 0.06 -3.46 -0.13 0.00 -0.44 0.00 0.00 54.58 50.61 7tim n ASN 35 Cb 0.36 -1.16 -0.11 0.00 -2.53 0.00 0.00 39.78 36.34 7tim n ASN 35 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 7tim s VAL 36 N -3.40 0.65 -0.18 3.53 0.11 -1.25 -4.25 120.40 115.61 7tim s VAL 36 Ca 0.56 -1.26 0.01 0.00 -2.93 0.00 0.00 61.98 58.36 7tim s VAL 36 Cb 0.41 -0.86 0.03 0.00 -1.53 0.00 0.00 36.38 34.43 7tim s VAL 36 CO -0.29 -0.44 -0.14 -0.70 -3.33 0.00 0.00 175.10 170.20 7tim s GLU 37 N -1.99 2.32 -0.06 1.54 2.12 -0.66 -4.73 118.70 117.23 7tim s GLU 37 Ca -0.05 -0.76 0.06 0.00 0.36 0.00 0.00 54.97 54.57 7tim s GLU 37 Cb -0.07 -2.35 -0.01 0.00 0.26 0.00 0.00 34.13 31.96 7tim s GLU 37 CO -0.00 -0.32 -0.24 0.08 -0.54 0.00 0.00 175.26 174.23 7tim s VAL 38 N 1.40 1.99 -0.06 3.70 1.01 -0.31 0.05 120.40 128.18 7tim s VAL 38 Ca 0.02 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 60.98 7tim s VAL 38 Cb -0.15 -1.69 0.02 0.00 0.00 0.00 0.00 36.38 34.56 7tim s VAL 38 CO -0.10 0.55 -0.04 -0.69 0.00 0.00 0.00 175.10 174.83 7tim s VAL 39 N -0.07 0.54 -0.10 2.92 1.01 -0.44 -1.81 120.40 122.45 7tim s VAL 39 Ca -0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 7tim s VAL 39 Cb -0.14 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 7tim s VAL 39 CO 0.04 0.25 -0.06 0.27 0.00 0.00 0.00 175.10 175.60 7tim s ILE 40 N 1.25 3.73 -0.43 2.22 -4.36 -0.27 0.15 121.20 123.48 7tim s ILE 40 Ca -0.06 -0.45 0.03 0.00 -0.26 0.00 0.00 60.65 59.91 7tim s ILE 40 Cb -0.14 -2.56 0.12 0.00 1.25 0.00 0.00 42.46 41.13 7tim s ILE 40 CO -0.02 0.56 0.17 0.00 0.24 0.00 0.00 174.94 175.90 7tim s PRO 42 N 0.37 3.10 0.37 0.00 0.04 -1.25 -1.43 135.00 136.20 7tim s PRO 42 Ca 0.14 -0.06 -0.25 0.00 0.04 0.00 0.00 61.00 60.87 7tim s PRO 42 Cb -0.23 -2.36 -0.12 0.00 0.04 0.00 0.00 34.50 31.83 7tim s PRO 42 CO -0.05 -0.49 0.94 -2.30 0.04 0.00 0.00 177.00 175.14 7tim n PRO 43 N -2.40 1.22 -0.34 0.56 -0.02 -1.26 -4.42 135.00 128.35 7tim n PRO 43 Ca 0.03 0.44 0.21 0.00 -2.02 0.00 0.00 63.50 62.15 7tim n PRO 43 Cb 0.57 -1.89 0.45 0.00 -0.02 0.00 0.00 33.50 32.61 7tim n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 7tim h ALA 44 N 1.57 1.98 -0.95 3.55 0.00 -1.95 0.31 119.26 123.77 7tim h ALA 44 Ca -0.42 0.12 0.27 0.00 0.00 0.00 0.00 54.91 54.89 7tim h ALA 44 Cb 1.35 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 7tim h ALA 44 CO 0.57 -0.47 0.77 1.15 0.00 0.00 0.00 179.25 181.27 7tim h THR 45 N 0.46 0.36 -0.27 0.00 2.02 -2.03 -1.95 112.91 111.50 7tim h THR 45 Ca 0.66 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.84 7tim h THR 45 Cb 1.45 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 7tim h THR 45 CO -0.45 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.22 7tim n TYR 46 N -3.96 0.63 0.11 3.16 4.01 0.11 -4.76 117.16 116.46 7tim n TYR 46 Ca 0.20 -0.70 -0.13 0.00 -0.16 0.00 0.00 57.90 57.11 7tim n TYR 46 Cb 1.10 -0.17 -0.07 0.00 -0.31 0.00 0.00 39.34 39.89 7tim n TYR 46 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 7tim h LEU 47 N 1.71 -0.17 0.54 7.72 3.38 -1.34 -0.31 115.31 126.84 7tim h LEU 47 Ca 0.00 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 7tim h LEU 47 Cb 1.06 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 7tim h LEU 47 CO 0.10 -0.12 -0.44 -0.78 0.09 0.00 0.00 178.44 177.29 7tim h ASP 48 N -0.20 -1.16 0.17 -0.43 3.58 -1.81 0.31 116.42 116.87 7tim h ASP 48 Ca -0.02 0.08 0.01 0.00 0.42 0.00 0.00 57.03 57.53 7tim h ASP 48 Cb 0.15 0.37 -0.03 0.00 1.72 0.00 0.00 39.33 41.54 7tim h ASP 48 CO 0.03 -0.63 -0.30 0.22 -2.88 0.00 0.00 179.24 175.69 7tim h TYR 49 N -0.96 -0.81 -0.54 0.28 3.20 -1.88 -0.96 116.97 115.29 7tim h TYR 49 Ca -0.06 0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.91 7tim h TYR 49 Cb 0.82 0.34 -0.07 0.00 1.54 0.00 0.00 36.73 39.35 7tim h TYR 49 CO -0.18 -0.41 0.13 0.77 -1.64 0.00 0.00 178.16 176.82 7tim h SER 50 N -0.55 0.04 -0.32 -2.11 0.02 -0.94 0.12 113.55 109.81 7tim h SER 50 Ca 0.02 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 7tim h SER 50 Cb 0.56 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 7tim h SER 50 CO -0.14 0.04 0.19 0.58 -1.14 0.00 0.00 176.83 176.36 7tim h VAL 51 N 0.27 1.11 -0.07 2.27 2.07 0.31 -1.92 116.25 120.29 7tim h VAL 51 Ca 0.27 -0.26 -0.12 0.00 0.82 0.00 0.00 66.70 67.41 7tim h VAL 51 Cb 0.37 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 7tim h VAL 51 CO -0.34 0.11 -0.50 0.77 0.02 0.00 0.00 177.57 177.63 7tim h SER 52 N 0.46 0.18 1.66 0.57 4.64 0.54 -3.25 113.55 118.35 7tim h SER 52 Ca 0.12 -0.09 -0.07 0.00 -0.47 0.00 0.00 61.79 61.29 7tim h SER 52 Cb 0.01 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 7tim h SER 52 CO -0.02 0.66 -0.35 -0.07 -0.87 0.00 0.00 176.83 176.18 7tim h LEU 53 N 0.14 0.00 -9.36 5.97 4.07 -0.55 -3.46 115.31 112.13 7tim h LEU 53 Ca 0.00 0.00 -0.54 0.00 0.08 0.00 0.00 57.88 57.42 7tim h LEU 53 Cb 0.94 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.68 7tim h LEU 53 CO 0.07 0.31 0.99 -0.69 -1.08 0.00 0.00 178.44 178.04 7tim s VAL 54 N -3.06 3.44 -0.05 1.22 1.01 -1.16 -4.85 120.40 116.94 7tim s VAL 54 Ca 0.05 0.75 0.08 0.00 0.00 0.00 0.00 61.98 62.86 7tim s VAL 54 Cb 0.07 -3.48 0.12 0.00 0.00 0.00 0.00 36.38 33.09 7tim s VAL 54 CO 0.72 -0.03 1.06 0.29 0.00 0.00 0.00 175.10 177.14 7tim n LYS 55 N 6.12 0.56 -4.60 2.72 5.02 -1.26 -5.03 118.16 121.69 7tim n LYS 55 Ca 0.16 -1.67 -0.31 0.00 -2.02 0.00 0.00 58.31 54.47 7tim n LYS 55 Cb 0.42 -0.93 -0.17 0.00 -0.02 0.00 0.00 35.03 34.34 7tim n LYS 55 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 7tim s LYS 56 N -1.22 2.71 0.37 1.97 1.02 -1.26 -5.01 119.74 118.32 7tim s LYS 56 Ca 0.14 -0.74 0.10 0.00 0.02 0.00 0.00 55.97 55.48 7tim s LYS 56 Cb 0.12 -2.22 0.85 0.00 -0.52 0.00 0.00 37.83 36.05 7tim s LYS 56 CO 0.01 -0.03 1.89 -1.35 -0.92 0.00 0.00 175.35 174.96 7tim h PRO 57 N 7.35 0.63 0.00 -1.68 0.10 -1.99 -0.89 132.00 135.52 7tim h PRO 57 Ca -0.32 -0.04 0.00 0.00 0.10 0.00 0.00 66.00 65.75 7tim h PRO 57 Cb 1.19 -0.14 0.00 0.00 0.10 0.00 0.00 31.00 32.14 7tim h PRO 57 CO 0.53 0.42 0.00 1.04 0.10 0.00 0.00 178.00 180.09 7tim n GLN 58 N -4.53 0.13 -4.28 1.05 3.00 -1.26 -4.80 117.38 106.69 7tim n GLN 58 Ca 0.16 0.01 -0.34 0.00 -0.01 0.00 0.00 57.00 56.82 7tim n GLN 58 Cb 0.44 -1.50 -0.11 0.00 0.00 0.00 0.00 30.24 29.07 7tim n GLN 58 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 7tim s VAL 59 N -2.87 4.24 0.02 5.09 1.01 -0.34 -1.17 120.40 126.38 7tim s VAL 59 Ca 0.18 -0.24 -0.04 0.00 0.00 0.00 0.00 61.98 61.88 7tim s VAL 59 Cb 0.19 -2.86 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 7tim s VAL 59 CO 0.49 0.50 0.05 -0.89 0.00 0.00 0.00 175.10 175.26 7tim s THR 60 N 0.14 0.11 -0.00 3.92 2.01 -0.75 -4.79 115.64 116.28 7tim s THR 60 Ca 0.01 -0.89 -0.01 0.00 0.31 0.00 0.00 61.69 61.11 7tim s THR 60 Cb -0.13 -0.47 -0.04 0.00 0.01 0.00 0.00 72.50 71.87 7tim s THR 60 CO 0.02 -0.49 0.09 -0.69 -0.69 0.00 0.00 174.62 172.86 7tim s VAL 61 N -1.70 4.81 0.17 3.82 1.01 -1.26 -1.11 120.40 126.14 7tim s VAL 61 Ca -0.13 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.47 7tim s VAL 61 Cb -0.07 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 7tim s VAL 61 CO -0.01 0.34 0.03 -0.83 0.00 0.00 0.00 175.10 174.63 7tim s GLY 62 N -1.79 1.24 0.45 4.51 0.00 -0.45 0.26 107.32 111.54 7tim s GLY 62 Ca 0.24 -1.60 0.04 0.00 0.00 0.00 0.00 44.72 43.39 7tim s GLY 62 CO 0.15 -1.49 0.64 0.00 0.00 0.00 0.00 173.10 172.40 7tim s ALA 63 N -3.79 4.09 -1.22 3.20 0.00 -0.04 -3.93 121.76 120.06 7tim s ALA 63 Ca 0.26 -1.38 0.24 0.00 0.00 0.00 0.00 51.96 51.09 7tim s ALA 63 Cb 0.07 -1.90 0.34 0.00 0.00 0.00 0.00 23.12 21.63 7tim s ALA 63 CO 0.05 -0.40 1.30 1.04 0.00 0.00 0.00 175.76 177.75 7tim n GLN 64 N -2.02 0.25 0.00 0.00 6.02 -1.26 -1.46 117.38 118.91 7tim n GLN 64 Ca 0.05 -0.17 0.00 0.00 -0.01 0.00 0.00 57.00 56.87 7tim n GLN 64 Cb 0.59 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.35 7tim n GLN 64 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 7tim n ASN 65 N -1.22 0.00 -3.78 1.08 5.15 -1.23 -4.50 115.26 110.76 7tim n ASN 65 Ca 0.07 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.95 7tim n ASN 65 Cb 0.35 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.54 7tim n ASN 65 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 7tim s ALA 66 N -2.00 -0.49 0.76 5.20 0.00 -1.26 -4.72 121.76 119.25 7tim s ALA 66 Ca 0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 51.96 51.49 7tim s ALA 66 Cb 0.00 0.59 0.12 0.00 0.00 0.00 0.00 23.12 23.83 7tim s ALA 66 CO 0.00 -0.57 1.05 -0.47 0.00 0.00 0.00 175.76 175.77 7tim s TYR 67 N -3.85 2.02 -0.29 0.00 5.04 -0.70 -4.94 117.35 114.64 7tim s TYR 67 Ca 0.05 0.05 0.12 0.00 -2.44 0.00 0.00 57.07 54.85 7tim s TYR 67 Cb 0.04 -3.27 0.78 0.00 0.35 0.00 0.00 41.96 39.86 7tim s TYR 67 CO -0.11 -1.77 1.77 1.47 -1.34 0.00 0.00 175.55 175.57 7tim n LEU 68 N -3.02 5.90 -3.98 6.97 -0.00 -1.26 -4.75 117.00 116.85 7tim n LEU 68 Ca 0.13 -3.03 -0.09 0.00 -0.00 0.00 0.00 56.01 53.02 7tim n LEU 68 Cb 0.60 -0.72 -0.11 0.00 -0.00 0.00 0.00 43.42 43.20 7tim n LEU 68 CO 0.46 0.71 -0.34 -0.54 -0.00 0.00 0.00 177.39 177.68 7tim s LYS 69 N -2.85 0.38 0.13 1.47 -0.14 -1.26 -4.92 119.74 112.56 7tim s LYS 69 Ca 0.54 -0.68 -0.05 0.00 -1.36 0.00 0.00 55.97 54.42 7tim s LYS 69 Cb 0.42 0.14 -0.10 0.00 -1.68 0.00 0.00 37.83 36.61 7tim s LYS 69 CO 0.15 -0.07 1.30 0.00 -0.76 0.00 0.00 175.35 175.96 7tim h ALA 70 N 4.36 0.35 -2.83 5.17 0.00 -1.96 -3.43 119.26 120.92 7tim h ALA 70 Ca -0.32 -0.71 -0.04 0.00 0.00 0.00 0.00 54.91 53.84 7tim h ALA 70 Cb 1.20 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.87 7tim h ALA 70 CO 0.45 0.81 -0.04 -1.54 0.00 0.00 0.00 179.25 178.93 7tim s SER 71 N -7.09 -0.19 0.00 0.00 1.04 -1.26 -4.71 113.70 101.48 7tim s SER 71 Ca -0.06 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 55.78 7tim s SER 71 Cb 0.09 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.76 7tim s SER 71 CO 0.87 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 174.66 7tim n GLY 72 N -0.32 1.08 3.02 7.32 0.00 -1.26 -4.96 105.19 110.08 7tim n GLY 72 Ca -0.09 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 7tim n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 7tim n ALA 73 N -1.03 4.48 -3.42 4.61 0.00 -1.26 -4.71 120.51 119.18 7tim n ALA 73 Ca 0.00 -3.71 -0.27 0.00 0.00 0.00 0.00 53.44 49.47 7tim n ALA 73 Cb 0.00 -3.57 -0.10 0.00 0.00 0.00 0.00 19.45 15.78 7tim n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 7tim n PHE 74 N 7.36 -0.41 -1.68 0.00 3.72 -1.26 -5.11 117.46 120.07 7tim n PHE 74 Ca 0.50 -3.44 -0.45 0.00 -0.05 0.00 0.00 57.45 54.02 7tim n PHE 74 Cb 0.41 0.10 -0.03 0.00 -0.94 0.00 0.00 39.48 39.02 7tim n PHE 74 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 7tim n THR 75 N 2.56 0.63 -0.86 4.37 -1.04 -1.26 -2.57 114.28 116.11 7tim n THR 75 Ca 0.28 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 7tim n THR 75 Cb 0.47 -1.56 0.00 0.00 -1.82 0.00 0.00 70.33 67.42 7tim n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 7tim n GLY 76 N 2.61 0.86 4.00 3.41 0.00 -1.26 -5.06 105.19 109.75 7tim n GLY 76 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 7tim n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 7tim s GLU 77 N -0.14 2.33 0.14 1.61 0.41 -1.06 -5.12 118.70 116.88 7tim s GLU 77 Ca 0.00 -1.16 0.10 0.00 -0.41 0.00 0.00 54.97 53.50 7tim s GLU 77 Cb 0.00 -2.54 -0.04 0.00 -1.78 0.00 0.00 34.13 29.77 7tim s GLU 77 CO 0.00 -0.84 -0.20 -0.80 -0.49 0.00 0.00 175.26 172.93 7tim s ASN 78 N -4.54 3.73 0.05 -0.19 0.01 -1.26 -5.02 114.94 107.72 7tim s ASN 78 Ca 0.60 -0.66 0.05 0.00 -0.71 0.00 0.00 52.86 52.14 7tim s ASN 78 Cb -0.08 -0.44 -0.04 0.00 0.41 0.00 0.00 41.25 41.10 7tim s ASN 78 CO 0.39 0.16 -0.10 -0.55 -1.51 0.00 0.00 177.10 175.49 7tim s SER 79 N -2.33 4.39 0.13 -1.22 0.15 -1.26 -1.71 113.70 111.84 7tim s SER 79 Ca 0.19 -0.29 -0.14 0.00 0.70 0.00 0.00 55.95 56.40 7tim s SER 79 Cb -0.10 -0.90 -0.01 0.00 -1.71 0.00 0.00 66.02 63.30 7tim s SER 79 CO 0.10 0.24 1.59 -0.37 1.20 0.00 0.00 173.24 175.99 7tim h VAL 80 N 3.59 1.26 -0.94 4.45 -1.51 -1.85 -1.36 116.25 119.88 7tim h VAL 80 Ca -0.48 -0.97 0.13 0.00 -1.23 0.00 0.00 66.70 64.14 7tim h VAL 80 Cb 1.16 1.07 -0.08 0.00 -2.13 0.00 0.00 31.29 31.31 7tim h VAL 80 CO 0.52 0.33 0.60 0.44 -1.23 0.00 0.00 177.57 178.23 7tim h ASP 81 N 0.56 0.79 0.12 4.19 5.19 -1.92 -1.36 116.42 123.98 7tim h ASP 81 Ca 0.12 0.04 -0.28 0.00 -0.62 0.00 0.00 57.03 56.30 7tim h ASP 81 Cb 0.45 -0.11 0.02 0.00 0.18 0.00 0.00 39.33 39.87 7tim h ASP 81 CO 0.02 0.41 -1.14 1.56 -3.12 0.00 0.00 179.24 176.97 7tim h GLN 82 N 0.84 0.62 -0.17 3.56 4.20 -1.79 -1.46 115.11 120.91 7tim h GLN 82 Ca 0.47 -0.75 -0.09 0.00 0.06 0.00 0.00 58.65 58.34 7tim h GLN 82 Cb 0.60 0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 7tim h GLN 82 CO -0.23 1.33 -0.29 -0.84 -0.67 0.00 0.00 178.83 178.12 7tim h ILE 83 N 0.31 1.27 -0.27 2.54 3.07 -0.76 -2.39 117.51 121.28 7tim h ILE 83 Ca -0.15 -1.27 -0.15 0.00 1.55 0.00 0.00 64.86 64.84 7tim h ILE 83 Cb 1.80 1.46 -0.01 0.00 -0.27 0.00 0.00 36.82 39.80 7tim h ILE 83 CO 0.22 0.39 -0.44 0.50 -1.05 0.00 0.00 178.15 177.77 7tim h LYS 84 N 0.29 0.69 -0.93 0.16 3.64 -1.28 -1.01 116.57 118.12 7tim h LYS 84 Ca 0.04 -0.38 -0.01 0.00 -1.27 0.00 0.00 60.65 59.03 7tim h LYS 84 Cb 0.67 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.46 7tim h LYS 84 CO 0.05 0.99 0.55 0.22 -2.27 0.00 0.00 179.45 178.99 7tim h ASP 85 N 0.56 1.13 0.61 4.20 3.58 -0.76 -0.77 116.42 124.95 7tim h ASP 85 Ca 0.04 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.41 7tim h ASP 85 Cb 0.99 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.75 7tim h ASP 85 CO 0.09 0.87 0.00 0.52 -2.88 0.00 0.00 179.24 177.84 7tim n VAL 86 N -4.36 0.06 0.00 2.25 0.31 -1.02 -4.95 118.33 110.62 7tim n VAL 86 Ca 0.10 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 7tim n VAL 86 Cb 0.07 -0.54 0.00 0.00 -0.91 0.00 0.00 33.84 32.46 7tim n VAL 86 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 7tim n GLY 87 N 1.20 0.98 3.74 2.92 0.00 -0.30 -4.62 105.19 109.12 7tim n GLY 87 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 7tim n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 7tim s ALA 88 N -2.11 2.13 0.00 4.61 0.00 -0.41 -4.80 121.76 121.19 7tim s ALA 88 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.49 7tim s ALA 88 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.76 7tim s ALA 88 CO 0.00 -1.86 0.00 1.63 0.00 0.00 0.00 175.76 175.53 7tim n LYS 89 N -3.21 4.44 -4.37 0.00 5.02 0.14 -4.17 118.16 116.00 7tim n LYS 89 Ca 0.11 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.21 7tim n LYS 89 Cb 0.52 -0.38 -0.10 0.00 -0.02 0.00 0.00 35.03 35.05 7tim n LYS 89 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 7tim s TRP 90 N -0.72 1.70 -0.25 2.13 0.52 -1.21 -0.24 118.94 120.87 7tim s TRP 90 Ca 0.00 -0.90 -0.15 0.00 0.02 0.00 0.00 56.10 55.07 7tim s TRP 90 Cb 0.00 -1.01 0.07 0.00 -1.15 0.00 0.00 33.47 31.38 7tim s TRP 90 CO 0.00 0.01 0.62 0.54 0.02 0.00 0.00 176.95 178.14 7tim s VAL 91 N -3.34 -0.01 -0.13 4.03 0.11 -0.88 -0.86 120.40 119.32 7tim s VAL 91 Ca 0.30 0.02 -0.26 0.00 -2.93 0.00 0.00 61.98 59.12 7tim s VAL 91 Cb 0.06 -0.90 -0.02 0.00 -1.53 0.00 0.00 36.38 33.99 7tim s VAL 91 CO 0.11 0.01 0.83 -0.63 -3.33 0.00 0.00 175.10 172.08 7tim s ILE 92 N 1.47 4.91 0.02 7.04 1.01 -0.54 -1.00 121.20 134.10 7tim s ILE 92 Ca -0.09 1.66 0.07 0.00 0.00 0.00 0.00 60.65 62.29 7tim s ILE 92 Cb -0.06 -4.14 -0.02 0.00 0.01 0.00 0.00 42.46 38.25 7tim s ILE 92 CO -0.16 0.08 -0.21 -0.76 0.00 0.00 0.00 174.94 173.88 7tim s LEU 93 N 1.77 2.11 0.00 2.97 1.43 0.15 -3.53 118.68 123.58 7tim s LEU 93 Ca 0.40 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 7tim s LEU 93 Cb -0.17 -1.05 0.00 0.00 0.03 0.00 0.00 46.19 44.99 7tim s LEU 93 CO 0.15 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.56 7tim n GLY 94 N 2.16 0.53 3.54 -3.19 0.00 -1.26 -1.17 105.19 105.78 7tim n GLY 94 Ca -0.16 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 7tim n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 7tim n HIS 95 N -2.91 -0.07 -0.27 1.61 -0.00 -1.26 -4.42 115.22 107.90 7tim n HIS 95 Ca 0.00 0.38 -0.06 0.00 0.46 0.00 0.00 57.72 58.50 7tim n HIS 95 Cb 0.00 -2.00 0.07 0.00 -0.12 0.00 0.00 29.99 27.94 7tim n HIS 95 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 7tim h SER 96 N -0.21 1.08 0.19 0.26 0.87 -1.95 -2.06 113.55 111.73 7tim h SER 96 Ca -0.46 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 59.88 7tim h SER 96 Cb 1.35 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 63.02 7tim h SER 96 CO 0.45 0.97 -0.16 -0.33 -0.53 0.00 0.00 176.83 177.24 7tim h GLU 97 N 1.12 0.00 0.05 2.24 5.08 -2.00 -0.45 114.58 120.63 7tim h GLU 97 Ca 0.25 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.48 7tim h GLU 97 Cb 0.25 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.52 7tim h GLU 97 CO -0.02 0.16 -0.57 0.00 -1.00 0.00 0.00 179.01 177.59 7tim h ARG 98 N 0.00 0.29 -0.40 2.33 2.47 -1.81 -2.99 114.38 114.26 7tim h ARG 98 Ca -0.00 -0.38 0.06 0.00 -1.26 0.00 0.00 59.98 58.40 7tim h ARG 98 Cb 0.30 0.13 -0.06 0.00 -1.65 0.00 0.00 29.97 28.68 7tim h ARG 98 CO 0.02 1.11 0.07 0.00 0.56 0.00 0.00 179.97 181.73 7tim h ARG 99 N -0.34 0.19 0.00 0.04 3.08 -0.74 -0.72 114.38 115.89 7tim h ARG 99 Ca -0.09 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.95 7tim h ARG 99 Cb 1.35 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.36 7tim h ARG 99 CO 0.11 0.13 -0.21 0.66 -1.07 0.00 0.00 179.97 179.58 7tim h SER 100 N 0.20 0.00 -0.44 7.04 4.64 -1.23 -3.19 113.55 120.57 7tim h SER 100 Ca 0.20 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.45 7tim h SER 100 Cb 0.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 7tim h SER 100 CO -0.26 0.56 0.03 1.88 -0.87 0.00 0.00 176.83 178.17 7tim h TYR 101 N -0.91 0.81 -0.55 4.77 0.05 -1.65 -3.24 116.97 116.26 7tim h TYR 101 Ca 0.00 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 58.65 7tim h TYR 101 Cb 0.21 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 37.74 7tim h TYR 101 CO -0.09 0.79 0.00 1.19 -1.05 0.00 0.00 178.16 179.00 7tim n PHE 102 N -4.43 0.73 -3.97 4.88 3.72 -0.32 -4.99 117.46 113.07 7tim n PHE 102 Ca 0.00 -0.37 -0.29 0.00 -0.05 0.00 0.00 57.45 56.74 7tim n PHE 102 Cb 0.27 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 7tim n PHE 102 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 7tim n HIS 103 N 1.57 -1.93 -2.56 1.38 8.25 -0.91 -4.91 115.22 116.12 7tim n HIS 103 Ca 0.22 0.83 -0.43 0.00 -0.26 0.00 0.00 57.72 58.08 7tim n HIS 103 Cb 0.62 -3.71 -0.02 0.00 1.12 0.00 0.00 29.99 27.99 7tim n HIS 103 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 7tim s GLU 104 N -6.59 3.83 0.55 -0.41 2.02 -1.07 -5.00 118.70 112.03 7tim s GLU 104 Ca 0.41 0.85 -0.05 0.00 0.02 0.00 0.00 54.97 56.20 7tim s GLU 104 Cb -0.22 -3.87 -0.01 0.00 0.10 0.00 0.00 34.13 30.14 7tim s GLU 104 CO 0.87 -1.23 0.85 0.16 0.02 0.00 0.00 175.26 175.93 7tim s ASP 105 N 2.45 5.80 0.17 -0.19 -4.77 -1.26 -4.52 116.67 114.35 7tim s ASP 105 Ca 0.50 0.74 -0.16 0.00 -3.30 0.00 0.00 52.55 50.33 7tim s ASP 105 Cb -0.11 -1.84 0.12 0.00 -1.09 0.00 0.00 42.92 40.00 7tim s ASP 105 CO 0.26 -0.90 1.67 0.44 0.70 0.00 0.00 175.17 177.35 7tim h ASP 106 N -0.02 -0.31 -0.26 2.11 3.32 -1.96 -0.47 116.42 118.83 7tim h ASP 106 Ca -0.46 0.12 0.02 0.00 0.02 0.00 0.00 57.03 56.73 7tim h ASP 106 Cb 1.24 0.23 -0.03 0.00 0.22 0.00 0.00 39.33 41.00 7tim h ASP 106 CO 0.61 -0.11 0.10 0.50 -1.72 0.00 0.00 179.24 178.62 7tim h LYS 107 N 0.04 0.22 -0.36 3.56 1.63 -1.94 -0.19 116.57 119.53 7tim h LYS 107 Ca 0.21 -0.01 0.07 0.00 -0.85 0.00 0.00 60.65 60.07 7tim h LYS 107 Cb 0.32 -0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 31.84 7tim h LYS 107 CO -0.41 0.14 -0.03 0.35 -3.45 0.00 0.00 179.45 176.05 7tim h PHE 108 N 0.22 -0.08 -0.00 1.91 3.57 -1.78 -0.42 116.94 120.36 7tim h PHE 108 Ca 0.11 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.58 7tim h PHE 108 Cb 0.07 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 7tim h PHE 108 CO -0.12 -0.10 -0.31 0.82 -2.23 0.00 0.00 178.31 176.37 7tim h ILE 109 N 0.06 1.22 -0.36 1.41 2.04 -0.75 -1.26 117.51 119.87 7tim h ILE 109 Ca 0.18 -1.06 -0.12 0.00 1.00 0.00 0.00 64.86 64.85 7tim h ILE 109 Cb 0.26 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 7tim h ILE 109 CO -0.32 0.30 -0.27 0.00 0.00 0.00 0.00 178.15 177.86 7tim h ALA 110 N 1.69 0.85 -0.33 1.87 0.00 0.51 -0.89 119.26 122.96 7tim h ALA 110 Ca -0.00 -0.39 -0.18 0.00 0.00 0.00 0.00 54.91 54.34 7tim h ALA 110 Cb 0.55 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 7tim h ALA 110 CO 0.04 0.63 -0.49 -0.44 0.00 0.00 0.00 179.25 179.00 7tim h ASP 111 N 0.64 1.00 -0.16 0.00 3.32 -0.97 -2.06 116.42 118.19 7tim h ASP 111 Ca 0.08 -0.51 -0.17 0.00 0.02 0.00 0.00 57.03 56.45 7tim h ASP 111 Cb 0.78 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 7tim h ASP 111 CO 0.06 1.31 -0.52 0.11 -1.72 0.00 0.00 179.24 178.49 7tim h LYS 112 N 0.71 0.74 0.19 3.56 1.57 -1.09 -2.26 116.57 119.98 7tim h LYS 112 Ca 0.03 -0.45 -0.01 0.00 -1.87 0.00 0.00 60.65 58.35 7tim h LYS 112 Cb 1.09 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.45 7tim h LYS 112 CO 0.11 1.07 -0.09 1.15 -0.57 0.00 0.00 179.45 181.13 7tim h THR 113 N 0.57 0.91 -0.80 -0.16 2.02 -1.12 -0.68 112.91 113.64 7tim h THR 113 Ca 0.02 -0.48 0.16 0.00 0.77 0.00 0.00 66.41 66.87 7tim h THR 113 Cb 1.09 1.20 -0.10 0.00 -1.74 0.00 0.00 68.15 68.60 7tim h THR 113 CO 0.11 0.11 0.34 0.50 0.37 0.00 0.00 175.52 176.95 7tim h LYS 114 N -0.49 0.46 0.52 6.66 3.64 -1.40 -1.56 116.57 124.40 7tim h LYS 114 Ca -0.03 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 7tim h LYS 114 Cb 0.37 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.09 7tim h LYS 114 CO 0.04 0.30 -0.25 0.35 -2.27 0.00 0.00 179.45 177.62 7tim h PHE 115 N 0.47 -0.65 -0.74 1.91 3.57 -1.20 -1.34 116.94 118.96 7tim h PHE 115 Ca 0.45 -0.02 0.15 0.00 3.53 0.00 0.00 57.97 62.09 7tim h PHE 115 Cb 0.71 0.22 -0.11 0.00 2.79 0.00 0.00 35.95 39.56 7tim h PHE 115 CO -0.15 -0.40 0.21 0.00 -2.23 0.00 0.00 178.31 175.74 7tim h ALA 116 N -1.58 0.98 -0.46 2.41 0.00 -0.98 -0.06 119.26 119.57 7tim h ALA 116 Ca -0.07 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 7tim h ALA 116 Cb 0.54 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 7tim h ALA 116 CO 0.12 -0.31 0.23 -0.07 0.00 0.00 0.00 179.25 179.22 7tim h LEU 117 N 0.31 0.56 -1.08 0.00 3.38 -1.27 -0.87 115.31 116.34 7tim h LEU 117 Ca 0.41 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.27 7tim h LEU 117 Cb 0.69 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 7tim h LEU 117 CO -0.48 0.47 -0.17 1.23 0.09 0.00 0.00 178.44 179.58 7tim h GLY 118 N 0.73 0.48 0.96 0.83 0.00 0.16 -2.86 103.07 103.37 7tim h GLY 118 Ca 0.16 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.15 7tim h GLY 118 CO -0.02 0.32 -0.07 -1.06 0.00 0.00 0.00 176.54 175.71 7tim n GLN 119 N -4.18 0.74 -1.65 4.80 1.13 -0.40 -4.93 117.38 112.90 7tim n GLN 119 Ca 0.00 -0.20 0.00 0.00 -1.94 0.00 0.00 57.00 54.86 7tim n GLN 119 Cb 0.35 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.20 7tim n GLN 119 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 7tim n GLY 120 N 1.24 0.60 3.65 1.08 0.00 -0.82 -4.95 105.19 105.99 7tim n GLY 120 Ca 0.16 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 7tim n GLY 120 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 7tim s VAL 121 N -2.00 3.78 0.65 1.61 -7.23 -0.91 -5.00 120.40 111.30 7tim s VAL 121 Ca 0.00 -1.14 -0.11 0.00 -1.81 0.00 0.00 61.98 58.92 7tim s VAL 121 Cb 0.00 -2.81 -0.02 0.00 0.56 0.00 0.00 36.38 34.11 7tim s VAL 121 CO 0.00 0.08 1.04 -0.83 -0.31 0.00 0.00 175.10 175.08 7tim s GLY 122 N -2.38 1.66 -0.06 2.32 0.00 0.67 -3.92 107.32 105.59 7tim s GLY 122 Ca 0.25 -0.07 0.03 0.00 0.00 0.00 0.00 44.72 44.93 7tim s GLY 122 CO 0.17 0.22 -0.16 0.14 0.00 0.00 0.00 173.10 173.47 7tim s VAL 123 N -3.16 1.38 -0.47 1.40 1.01 -0.29 -2.08 120.40 118.19 7tim s VAL 123 Ca 0.56 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 61.75 7tim s VAL 123 Cb -0.12 -1.22 0.07 0.00 0.00 0.00 0.00 36.38 35.11 7tim s VAL 123 CO 0.54 0.41 0.38 -0.63 0.00 0.00 0.00 175.10 175.80 7tim s ILE 124 N 0.42 5.16 -0.23 2.22 1.01 -0.17 -0.48 121.20 129.13 7tim s ILE 124 Ca -0.12 -1.07 -0.18 0.00 0.00 0.00 0.00 60.65 59.28 7tim s ILE 124 Cb -0.15 -4.08 -0.03 0.00 0.01 0.00 0.00 42.46 38.21 7tim s ILE 124 CO 0.04 -0.56 0.50 -0.22 0.00 0.00 0.00 174.94 174.70 7tim s LEU 125 N 1.63 4.11 -0.15 2.97 2.96 -0.51 -0.68 118.68 129.00 7tim s LEU 125 Ca 0.04 0.58 -0.08 0.00 -0.22 0.00 0.00 54.13 54.46 7tim s LEU 125 Cb -0.24 -2.66 -0.04 0.00 0.50 0.00 0.00 46.19 43.75 7tim s LEU 125 CO 0.06 -0.21 0.11 0.00 -1.32 0.00 0.00 176.35 175.00 7tim s ILE 127 N -0.34 0.23 0.00 0.00 -4.36 -0.76 -4.52 121.20 111.46 7tim s ILE 127 Ca 0.11 -1.93 0.00 0.00 -0.26 0.00 0.00 60.65 58.56 7tim s ILE 127 Cb -0.12 -2.11 0.00 0.00 1.25 0.00 0.00 42.46 41.49 7tim s ILE 127 CO 0.01 -0.43 0.00 0.61 0.24 0.00 0.00 174.94 175.38 7tim n GLY 128 N -0.15 3.50 3.91 6.27 0.00 -1.26 -1.19 105.19 116.28 7tim n GLY 128 Ca -0.05 -1.08 -0.21 0.00 0.00 0.00 0.00 46.02 44.68 7tim n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 7tim s GLU 129 N -2.30 3.12 0.56 1.61 1.03 -1.26 -4.69 118.70 116.77 7tim s GLU 129 Ca 0.00 -0.97 -0.03 0.00 0.03 0.00 0.00 54.97 54.00 7tim s GLU 129 Cb 0.00 -2.72 0.02 0.00 -0.80 0.00 0.00 34.13 30.63 7tim s GLU 129 CO 0.00 0.30 0.83 0.95 -1.33 0.00 0.00 175.26 176.00 7tim s THR 130 N -2.11 3.26 0.27 1.83 -4.23 -1.26 0.79 115.64 114.19 7tim s THR 130 Ca 0.37 -0.35 -0.00 0.00 -1.18 0.00 0.00 61.69 60.53 7tim s THR 130 Cb -0.08 -3.27 0.27 0.00 1.34 0.00 0.00 72.50 70.76 7tim s THR 130 CO 0.28 -0.23 1.84 0.25 -0.54 0.00 0.00 174.62 176.22 7tim h LEU 131 N -0.03 0.91 -1.22 4.79 5.85 -1.97 0.33 115.31 123.98 7tim h LEU 131 Ca -0.45 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.24 7tim h LEU 131 Cb 1.28 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 7tim h LEU 131 CO 0.58 0.51 -0.32 -0.33 -0.34 0.00 0.00 178.44 178.53 7tim h GLU 132 N 1.00 0.12 0.00 1.25 4.39 -1.99 0.10 114.58 119.45 7tim h GLU 132 Ca 0.47 -0.04 -0.18 0.00 0.34 0.00 0.00 59.36 59.95 7tim h GLU 132 Cb 0.41 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.03 7tim h GLU 132 CO -0.25 0.43 -0.86 0.93 -1.16 0.00 0.00 179.01 178.10 7tim h GLU 133 N 0.10 0.00 0.85 2.33 5.08 -1.42 -3.07 114.58 118.44 7tim h GLU 133 Ca 0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 7tim h GLU 133 Cb 0.63 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.89 7tim h GLU 133 CO 0.05 0.86 -0.41 -0.22 -1.00 0.00 0.00 179.01 178.29 7tim h LYS 134 N 0.00 -1.09 -1.03 2.33 3.64 -0.47 0.54 116.57 120.48 7tim h LYS 134 Ca -0.01 0.07 0.29 0.00 -1.27 0.00 0.00 60.65 59.74 7tim h LYS 134 Cb 1.62 0.25 -0.05 0.00 -0.41 0.00 0.00 32.23 33.64 7tim h LYS 134 CO 0.11 -0.73 0.73 0.87 -2.27 0.00 0.00 179.45 178.16 7tim h LYS 135 N -1.24 0.09 -0.36 1.90 1.57 -0.91 0.22 116.57 117.83 7tim h LYS 135 Ca -0.12 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 7tim h LYS 135 Cb 0.87 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.16 7tim h LYS 135 CO 0.19 0.06 0.00 0.00 -0.57 0.00 0.00 179.45 179.13 7tim n ALA 136 N -2.68 2.45 -1.65 3.86 0.00 -1.16 -4.89 120.51 116.43 7tim n ALA 136 Ca 0.22 -0.65 -0.13 0.00 0.00 0.00 0.00 53.44 52.88 7tim n ALA 136 Cb 1.04 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 19.47 7tim n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 7tim n GLY 137 N 1.11 0.89 1.25 0.00 0.00 0.76 -4.91 105.19 104.28 7tim n GLY 137 Ca 0.13 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.87 7tim n GLY 137 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 7tim n LYS 138 N -2.50 2.58 -0.29 1.61 5.02 0.19 -4.55 118.16 120.22 7tim n LYS 138 Ca -0.14 -2.44 0.01 0.00 -2.02 0.00 0.00 58.31 53.72 7tim n LYS 138 Cb 0.49 -1.53 0.07 0.00 -0.02 0.00 0.00 35.03 34.04 7tim n LYS 138 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 7tim h THR 139 N 4.15 0.15 0.05 -0.18 2.02 -1.80 -0.70 112.91 116.60 7tim h THR 139 Ca 0.00 0.00 -0.24 0.00 0.77 0.00 0.00 66.41 66.94 7tim h THR 139 Cb 0.94 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 67.50 7tim h THR 139 CO 0.00 0.00 -1.04 -0.07 0.37 0.00 0.00 175.52 174.78 7tim h LEU 140 N -0.03 0.39 0.14 2.58 -0.00 -1.93 -2.15 115.31 114.30 7tim h LEU 140 Ca 0.36 -0.36 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 7tim h LEU 140 Cb 0.59 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.13 7tim h LEU 140 CO -0.84 1.20 -0.07 0.44 -0.00 0.00 0.00 178.44 179.18 7tim h ASP 141 N 0.13 -0.16 -0.28 -0.43 3.32 -1.78 -1.08 116.42 116.14 7tim h ASP 141 Ca -0.09 -0.09 0.06 0.00 0.02 0.00 0.00 57.03 56.94 7tim h ASP 141 Cb 1.71 0.04 -0.08 0.00 0.22 0.00 0.00 39.33 41.23 7tim h ASP 141 CO 0.17 -0.01 -0.32 0.58 -1.72 0.00 0.00 179.24 177.94 7tim h VAL 142 N -0.29 0.26 -0.24 -1.35 2.07 -1.13 0.60 116.25 116.17 7tim h VAL 142 Ca -0.02 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 7tim h VAL 142 Cb 0.23 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 7tim h VAL 142 CO 0.03 0.00 -0.14 -0.37 0.02 0.00 0.00 177.57 177.11 7tim h VAL 143 N -0.31 1.22 0.00 2.57 -1.51 -1.39 -1.82 116.25 115.00 7tim h VAL 143 Ca 0.14 -0.96 -0.05 0.00 -1.23 0.00 0.00 66.70 64.59 7tim h VAL 143 Cb 0.54 1.19 -0.01 0.00 -2.13 0.00 0.00 31.29 30.88 7tim h VAL 143 CO -0.45 0.31 -0.25 -0.33 -1.23 0.00 0.00 177.57 175.62 7tim h GLU 144 N 0.37 0.00 0.50 5.19 5.08 0.03 -0.24 114.58 125.51 7tim h GLU 144 Ca 0.07 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 7tim h GLU 144 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 7tim h GLU 144 CO 0.03 0.25 -0.24 -0.09 -1.00 0.00 0.00 179.01 177.95 7tim h ARG 145 N 0.00 -0.65 -0.83 2.33 2.43 0.89 -1.95 114.38 116.61 7tim h ARG 145 Ca -0.00 0.04 0.15 0.00 -0.81 0.00 0.00 59.98 59.36 7tim h ARG 145 Cb 0.88 0.15 -0.09 0.00 -0.42 0.00 0.00 29.97 30.49 7tim h ARG 145 CO 0.03 -0.38 0.41 1.96 -1.51 0.00 0.00 179.97 180.48 7tim h GLN 146 N -1.12 0.57 -0.05 0.20 4.20 -1.27 -2.10 115.11 115.53 7tim h GLN 146 Ca -0.07 -0.03 -0.25 0.00 0.06 0.00 0.00 58.65 58.35 7tim h GLN 146 Cb 0.57 -0.13 0.02 0.00 0.30 0.00 0.00 27.48 28.24 7tim h GLN 146 CO 0.11 0.38 -0.95 -0.07 -0.67 0.00 0.00 178.83 177.63 7tim h LEU 147 N 0.59 0.93 -0.91 1.46 3.38 -1.09 -3.27 115.31 116.40 7tim h LEU 147 Ca 0.45 -0.69 0.10 0.00 0.09 0.00 0.00 57.88 57.83 7tim h LEU 147 Cb 0.65 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 41.04 7tim h LEU 147 CO -0.37 1.50 0.55 0.78 0.09 0.00 0.00 178.44 180.98 7tim h ASN 148 N 0.45 0.80 -0.42 -0.43 2.35 -0.83 0.22 115.58 117.72 7tim h ASN 148 Ca -0.10 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 7tim h ASN 148 Cb 1.60 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 39.83 7tim h ASN 148 CO 0.19 0.45 0.27 0.00 -1.65 0.00 0.00 177.43 176.69 7tim h ALA 149 N 1.49 1.68 0.15 -0.83 0.00 -1.45 -1.41 119.26 118.88 7tim h ALA 149 Ca 0.44 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 55.09 7tim h ALA 149 Cb 0.39 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.04 7tim h ALA 149 CO -0.25 0.29 -0.95 0.28 0.00 0.00 0.00 179.25 178.63 7tim h VAL 150 N 0.58 1.44 -0.80 0.00 2.07 -0.76 -3.33 116.25 115.45 7tim h VAL 150 Ca 0.15 -2.51 0.08 0.00 0.82 0.00 0.00 66.70 65.25 7tim h VAL 150 Cb -0.05 3.07 -0.05 0.00 -1.52 0.00 0.00 31.29 32.73 7tim h VAL 150 CO -0.03 0.72 0.52 -0.07 0.02 0.00 0.00 177.57 178.73 7tim h LEU 151 N -0.19 0.71 -1.83 2.57 3.38 -0.49 0.38 115.31 119.83 7tim h LEU 151 Ca -0.16 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 7tim h LEU 151 Cb 1.72 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.33 7tim h LEU 151 CO 0.18 0.43 0.07 -0.08 0.09 0.00 0.00 178.44 179.13 7tim h GLU 152 N 0.79 0.18 0.01 1.13 4.81 -1.37 -3.25 114.58 116.89 7tim h GLU 152 Ca 0.36 -0.01 -0.32 0.00 -0.13 0.00 0.00 59.36 59.26 7tim h GLU 152 Cb 0.36 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 7tim h GLU 152 CO -0.13 0.14 -1.73 0.39 -0.73 0.00 0.00 179.01 176.94 7tim n GLU 153 N -4.50 0.59 -3.57 1.92 -0.58 -0.47 -4.92 120.64 109.11 7tim n GLU 153 Ca -0.01 0.45 -0.39 0.00 -0.42 0.00 0.00 57.16 56.79 7tim n GLU 153 Cb 0.10 -1.66 -0.11 0.00 -0.57 0.00 0.00 31.44 29.19 7tim n GLU 153 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 7tim s VAL 154 N -2.42 5.29 -0.14 2.62 1.01 0.12 -4.96 120.40 121.91 7tim s VAL 154 Ca -0.32 0.01 0.06 0.00 0.00 0.00 0.00 61.98 61.73 7tim s VAL 154 Cb 0.09 -3.60 -0.23 0.00 0.00 0.00 0.00 36.38 32.63 7tim s VAL 154 CO 0.57 0.14 0.29 0.29 0.00 0.00 0.00 175.10 176.40 7tim n LYS 155 N 5.08 0.69 -3.57 2.72 5.02 -1.26 -4.43 118.16 122.40 7tim n LYS 155 Ca -0.13 0.20 -0.41 0.00 -2.02 0.00 0.00 58.31 55.94 7tim n LYS 155 Cb 0.51 -1.66 -0.11 0.00 -0.02 0.00 0.00 35.03 33.75 7tim n LYS 155 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 7tim s ASP 156 N -6.33 5.80 -0.15 4.39 2.15 -1.26 -4.95 116.67 116.32 7tim s ASP 156 Ca -0.17 -1.03 0.16 0.00 0.43 0.00 0.00 52.55 51.94 7tim s ASP 156 Cb 0.07 -2.05 0.61 0.00 -0.30 0.00 0.00 42.92 41.25 7tim s ASP 156 CO 0.77 -0.41 1.52 0.79 -0.17 0.00 0.00 175.17 177.66 7tim n TRP 157 N 5.02 1.25 -0.31 -5.34 7.02 -1.26 -4.66 117.44 119.16 7tim n TRP 157 Ca -0.12 -0.72 0.14 0.00 -1.02 0.00 0.00 57.50 55.78 7tim n TRP 157 Cb 0.46 -0.29 0.32 0.00 -2.42 0.00 0.00 31.31 29.38 7tim n TRP 157 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 7tim h THR 158 N 2.88 0.50 -0.59 -0.99 2.02 -1.95 -1.98 112.91 112.79 7tim h THR 158 Ca 0.00 -0.16 -0.05 0.00 0.77 0.00 0.00 66.41 66.98 7tim h THR 158 Cb 1.45 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 7tim h THR 158 CO 0.25 0.08 0.06 0.59 0.37 0.00 0.00 175.52 176.87 7tim n ASN 159 N -5.00 5.45 -4.87 4.18 3.02 -1.26 -4.93 115.26 111.85 7tim n ASN 159 Ca 0.23 -3.01 -0.33 0.00 -0.03 0.00 0.00 54.58 51.43 7tim n ASN 159 Cb 0.67 -0.69 -0.05 0.00 -0.61 0.00 0.00 39.78 39.09 7tim n ASN 159 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 7tim s VAL 160 N -2.83 5.24 -0.10 2.41 1.01 -0.75 -1.14 120.40 124.23 7tim s VAL 160 Ca 0.54 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.32 7tim s VAL 160 Cb 0.42 -3.43 0.02 0.00 0.00 0.00 0.00 36.38 33.39 7tim s VAL 160 CO 0.15 0.35 -0.12 -0.69 0.00 0.00 0.00 175.10 174.79 7tim s VAL 161 N -1.27 1.27 -0.00 2.92 1.01 0.36 -4.59 120.40 120.10 7tim s VAL 161 Ca 0.25 -0.49 -0.10 0.00 0.00 0.00 0.00 61.98 61.64 7tim s VAL 161 Cb -0.12 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 7tim s VAL 161 CO 0.17 0.40 0.33 -0.69 0.00 0.00 0.00 175.10 175.30 7tim s VAL 162 N 1.20 5.19 -0.27 2.92 1.01 0.29 -1.42 120.40 129.31 7tim s VAL 162 Ca -0.03 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.44 7tim s VAL 162 Cb -0.14 -3.61 0.08 0.00 0.00 0.00 0.00 36.38 32.71 7tim s VAL 162 CO -0.04 0.47 0.02 0.00 0.00 0.00 0.00 175.10 175.56 7tim s ALA 163 N -1.19 1.85 -0.11 5.51 0.00 -0.16 -0.00 121.76 127.65 7tim s ALA 163 Ca 0.25 -1.57 -0.30 0.00 0.00 0.00 0.00 51.96 50.35 7tim s ALA 163 Cb -0.14 -1.55 -0.01 0.00 0.00 0.00 0.00 23.12 21.41 7tim s ALA 163 CO 0.13 -1.43 1.07 -0.47 0.00 0.00 0.00 175.76 175.07 7tim s TYR 164 N 1.45 3.37 -0.29 0.00 5.04 -0.59 -1.82 117.35 124.51 7tim s TYR 164 Ca 0.03 1.45 -0.03 0.00 -2.44 0.00 0.00 57.07 56.07 7tim s TYR 164 Cb -0.18 -3.28 0.11 0.00 0.35 0.00 0.00 41.96 38.96 7tim s TYR 164 CO -0.13 -0.61 0.15 -1.21 -1.34 0.00 0.00 175.55 172.41 7tim s GLU 165 N 2.31 0.22 0.09 4.97 2.02 -0.33 -1.02 118.70 126.95 7tim s GLU 165 Ca 0.50 -0.53 -0.36 0.00 0.02 0.00 0.00 54.97 54.59 7tim s GLU 165 Cb -0.20 -1.12 -0.16 0.00 0.10 0.00 0.00 34.13 32.75 7tim s GLU 165 CO 0.17 -1.03 1.41 -0.35 0.02 0.00 0.00 175.26 175.48 7tim n PRO 166 N 5.19 1.38 -0.20 0.39 -0.04 -1.24 -4.32 135.00 136.16 7tim n PRO 166 Ca -0.05 0.50 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 7tim n PRO 166 Cb 0.42 -2.18 0.24 0.00 -0.04 0.00 0.00 33.50 31.95 7tim n PRO 166 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 7tim h VAL 167 N 3.49 1.19 0.00 0.52 2.07 0.10 -1.90 116.25 121.73 7tim h VAL 167 Ca -0.47 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 66.65 7tim h VAL 167 Cb 1.32 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 7tim h VAL 167 CO 0.81 0.20 0.00 -2.67 0.02 0.00 0.00 177.57 175.93 7tim n TRP 168 N -4.41 0.00 0.77 1.57 4.27 -1.25 -2.58 117.44 115.81 7tim n TRP 168 Ca 0.08 0.00 0.08 0.00 -3.89 0.00 0.00 57.50 53.77 7tim n TRP 168 Cb 0.05 -0.32 -0.05 0.00 -1.36 0.00 0.00 31.31 29.63 7tim n TRP 168 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 7tim n ALA 169 N -1.32 3.74 -2.36 -1.67 0.00 -0.72 -4.68 120.51 113.50 7tim n ALA 169 Ca 0.08 -0.50 -0.42 0.00 0.00 0.00 0.00 53.44 52.59 7tim n ALA 169 Cb 0.15 -0.60 -0.02 0.00 0.00 0.00 0.00 19.45 18.98 7tim n ALA 169 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 7tim s ILE 170 N -2.30 3.83 0.00 0.00 1.01 -1.06 -1.75 121.20 120.92 7tim s ILE 170 Ca 0.10 0.78 0.00 0.00 0.00 0.00 0.00 60.65 61.52 7tim s ILE 170 Cb 0.13 -4.32 0.00 0.00 0.01 0.00 0.00 42.46 38.28 7tim s ILE 170 CO 0.57 -0.97 0.00 0.61 0.00 0.00 0.00 174.94 175.15 7tim n GLY 171 N 5.19 0.35 0.09 6.18 0.00 -1.26 -4.81 105.19 110.92 7tim n GLY 171 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 7tim n GLY 171 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 7tim n THR 172 N -2.40 1.59 -0.47 2.61 -2.24 -1.24 -4.98 114.28 107.14 7tim n THR 172 Ca 0.00 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 7tim n THR 172 Cb 0.17 -1.02 0.00 0.00 -2.10 0.00 0.00 70.33 67.38 7tim n THR 172 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 7tim n GLY 173 N 1.65 0.75 2.93 3.38 0.00 -1.26 -4.97 105.19 107.67 7tim n GLY 173 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 7tim n GLY 173 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 7tim n LEU 174 N 0.00 6.64 -4.74 0.99 4.32 -1.26 -5.00 117.00 117.95 7tim n LEU 174 Ca 0.00 -5.23 -0.34 0.00 -0.02 0.00 0.00 56.01 50.43 7tim n LEU 174 Cb 0.00 -1.26 0.08 0.00 -1.62 0.00 0.00 43.42 40.62 7tim n LEU 174 CO 0.00 1.75 0.77 0.00 -1.22 0.00 0.00 177.39 178.70 7tim s ALA 175 N -2.96 2.20 0.63 -1.18 0.00 -1.26 -4.21 121.76 114.99 7tim s ALA 175 Ca 0.33 0.75 -0.16 0.00 0.00 0.00 0.00 51.96 52.88 7tim s ALA 175 Cb 0.08 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.77 7tim s ALA 175 CO 0.06 -1.72 1.10 0.00 0.00 0.00 0.00 175.76 175.20 7tim s ALA 176 N -2.14 2.56 0.41 0.00 0.00 -1.26 -5.00 121.76 116.33 7tim s ALA 176 Ca 0.71 0.55 -0.23 0.00 0.00 0.00 0.00 51.96 53.00 7tim s ALA 176 Cb -0.26 -3.30 -0.10 0.00 0.00 0.00 0.00 23.12 19.46 7tim s ALA 176 CO 0.45 -1.11 1.00 0.95 0.00 0.00 0.00 175.76 177.04 7tim s THR 177 N -2.29 4.03 0.37 0.00 -4.23 -1.26 -4.86 115.64 107.40 7tim s THR 177 Ca 0.67 1.42 0.19 0.00 -1.18 0.00 0.00 61.69 62.79 7tim s THR 177 Cb -0.20 -3.67 0.37 0.00 1.34 0.00 0.00 72.50 70.35 7tim s THR 177 CO 0.39 -0.12 1.66 -0.65 -0.54 0.00 0.00 174.62 175.36 7tim h PRO 178 N 2.24 0.25 -0.07 3.99 0.11 -1.95 0.32 132.00 136.89 7tim h PRO 178 Ca -0.48 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 7tim h PRO 178 Cb 1.20 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 7tim h PRO 178 CO 0.62 0.17 0.02 0.93 -0.21 0.00 0.00 178.00 179.53 7tim h GLU 179 N 0.26 0.11 -0.18 1.05 3.07 -1.92 0.59 114.58 117.57 7tim h GLU 179 Ca 0.74 -0.02 -0.15 0.00 -0.50 0.00 0.00 59.36 59.43 7tim h GLU 179 Cb 1.90 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.79 7tim h GLU 179 CO -0.53 0.28 -0.48 -0.44 -1.40 0.00 0.00 179.01 176.44 7tim h ASP 180 N -0.07 0.73 -0.36 1.42 3.32 -0.84 -2.78 116.42 117.84 7tim h ASP 180 Ca 0.02 -0.58 0.02 0.00 0.02 0.00 0.00 57.03 56.51 7tim h ASP 180 Cb 0.21 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 7tim h ASP 180 CO -0.00 1.18 0.20 0.00 -1.72 0.00 0.00 179.24 178.90 7tim h ALA 181 N 0.57 0.44 -0.96 3.45 0.00 -0.98 -0.76 119.26 121.02 7tim h ALA 181 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 7tim h ALA 181 Cb 1.10 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 7tim h ALA 181 CO 0.10 -0.16 0.60 0.37 0.00 0.00 0.00 179.25 180.16 7tim h GLN 182 N 0.40 1.29 -0.32 0.00 5.75 -0.80 0.42 115.11 121.85 7tim h GLN 182 Ca 0.14 -0.10 -0.17 0.00 -0.15 0.00 0.00 58.65 58.37 7tim h GLN 182 Cb 0.03 -0.28 -0.00 0.00 1.07 0.00 0.00 27.48 28.30 7tim h GLN 182 CO -0.08 0.88 -0.45 -0.44 -2.65 0.00 0.00 178.83 176.09 7tim h ASP 183 N 1.32 0.94 -0.29 -0.69 3.32 -1.20 -1.51 116.42 118.30 7tim h ASP 183 Ca 0.35 -0.50 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 7tim h ASP 183 Cb -0.09 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.18 7tim h ASP 183 CO -0.07 1.26 0.11 0.40 -1.72 0.00 0.00 179.24 179.23 7tim h ILE 184 N 0.65 1.18 -0.63 0.35 2.04 -0.87 -1.00 117.51 119.23 7tim h ILE 184 Ca 0.03 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 7tim h ILE 184 Cb 1.05 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 7tim h ILE 184 CO 0.11 0.19 0.39 0.45 0.00 0.00 0.00 178.15 179.29 7tim h HIS 185 N 0.32 0.81 -0.28 1.37 3.86 -0.86 0.26 115.15 120.63 7tim h HIS 185 Ca 0.10 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.32 7tim h HIS 185 Cb 0.19 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 7tim h HIS 185 CO -0.00 0.54 0.17 0.00 0.86 0.00 0.00 177.93 179.49 7tim h ALA 186 N 1.21 0.35 -0.22 2.45 0.00 -1.10 0.17 119.26 122.12 7tim h ALA 186 Ca 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 7tim h ALA 186 Cb -0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 7tim h ALA 186 CO -0.04 -0.20 0.12 0.77 0.00 0.00 0.00 179.25 179.89 7tim h SER 187 N 0.35 0.27 0.44 0.00 0.02 -0.77 0.12 113.55 113.98 7tim h SER 187 Ca 0.11 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 7tim h SER 187 Cb -0.01 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 7tim h SER 187 CO -0.05 0.27 -0.41 0.40 -1.14 0.00 0.00 176.83 175.90 7tim h ILE 188 N 0.25 0.18 -0.93 3.27 2.04 -0.60 0.15 117.51 121.88 7tim h ILE 188 Ca 0.08 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.13 7tim h ILE 188 Cb 0.05 0.18 -0.11 0.00 -0.74 0.00 0.00 36.82 36.20 7tim h ILE 188 CO -0.01 0.00 0.50 -0.09 0.00 0.00 0.00 178.15 178.54 7tim h ARG 189 N -0.86 0.58 -0.31 2.37 2.43 -0.46 0.26 114.38 118.38 7tim h ARG 189 Ca -0.04 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 7tim h ARG 189 Cb 0.75 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 7tim h ARG 189 CO -0.04 0.38 0.02 -0.22 -1.51 0.00 0.00 179.97 178.60 7tim h LYS 190 N 0.59 0.54 0.28 0.20 1.63 -0.28 -1.68 116.57 117.85 7tim h LYS 190 Ca 0.55 -0.16 -0.00 0.00 -0.85 0.00 0.00 60.65 60.19 7tim h LYS 190 Cb 0.92 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.46 7tim h LYS 190 CO -0.43 0.66 -0.49 0.35 -3.45 0.00 0.00 179.45 176.09 7tim h PHE 191 N 0.35 -1.40 -0.96 1.91 3.57 0.12 -2.75 116.94 117.78 7tim h PHE 191 Ca 0.09 0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.76 7tim h PHE 191 Cb 0.40 0.57 -0.08 0.00 2.79 0.00 0.00 35.95 39.63 7tim h PHE 191 CO 0.03 -0.60 0.61 -0.07 -2.23 0.00 0.00 178.31 176.05 7tim h LEU 192 N -0.82 0.77 -1.51 0.59 3.38 -0.94 -0.94 115.31 115.84 7tim h LEU 192 Ca -0.03 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.99 7tim h LEU 192 Cb 0.77 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 7tim h LEU 192 CO -0.17 0.38 0.29 0.00 0.09 0.00 0.00 178.44 179.02 7tim h ALA 193 N 1.58 1.64 -0.02 1.53 0.00 -1.02 1.15 119.26 124.12 7tim h ALA 193 Ca 0.49 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.30 7tim h ALA 193 Cb 0.68 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 7tim h ALA 193 CO -0.26 0.32 -0.25 0.77 0.00 0.00 0.00 179.25 179.83 7tim h SER 194 N 0.63 0.04 0.02 0.00 0.02 -0.98 -0.32 113.55 112.96 7tim h SER 194 Ca 0.17 -0.01 -0.38 0.00 -0.84 0.00 0.00 61.79 60.73 7tim h SER 194 Cb -0.05 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.43 7tim h SER 194 CO -0.03 0.30 -2.21 0.29 -1.14 0.00 0.00 176.83 174.03 7tim n LYS 195 N -4.22 0.64 -0.02 3.45 4.76 -0.02 -4.70 118.16 118.05 7tim n LYS 195 Ca -0.02 0.28 0.09 0.00 -2.87 0.00 0.00 58.31 55.78 7tim n LYS 195 Cb 0.32 -1.58 0.09 0.00 -1.84 0.00 0.00 35.03 32.01 7tim n LYS 195 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 7tim n LEU 196 N -3.80 2.54 0.00 -0.35 4.77 0.38 -5.11 117.00 115.43 7tim n LEU 196 Ca -0.44 -1.09 0.00 0.00 -0.03 0.00 0.00 56.01 54.45 7tim n LEU 196 Cb 0.92 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.98 7tim n LEU 196 CO 0.21 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 7tim n GLY 197 N 0.99 0.40 0.09 -0.72 0.00 -0.13 -4.41 105.19 101.40 7tim n GLY 197 Ca 0.11 -1.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.23 7tim n GLY 197 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 7tim h ASP 198 N 0.00 0.27 -0.15 1.61 3.32 -1.92 -2.38 116.42 117.17 7tim h ASP 198 Ca 0.00 -0.30 0.02 0.00 0.02 0.00 0.00 57.03 56.77 7tim h ASP 198 Cb 0.00 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 7tim h ASP 198 CO 0.00 1.24 0.02 0.50 -1.72 0.00 0.00 179.24 179.28 7tim h LYS 199 N 0.05 0.08 -0.09 3.56 3.64 -1.95 0.18 116.57 122.03 7tim h LYS 199 Ca -0.10 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 7tim h LYS 199 Cb 1.91 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.71 7tim h LYS 199 CO 0.17 0.05 -0.01 0.00 -2.27 0.00 0.00 179.45 177.40 7tim h ALA 200 N 1.12 0.13 0.00 5.00 0.00 -1.77 -2.18 119.26 121.56 7tim h ALA 200 Ca 0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 7tim h ALA 200 Cb 0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 7tim h ALA 200 CO -0.10 -0.18 -0.08 0.00 0.00 0.00 0.00 179.25 178.89 7tim h ALA 201 N 0.72 1.12 -0.01 0.00 0.00 -1.37 -2.25 119.26 117.47 7tim h ALA 201 Ca 0.03 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 7tim h ALA 201 Cb 0.37 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 7tim h ALA 201 CO 0.01 0.11 -0.82 0.66 0.00 0.00 0.00 179.25 179.20 7tim h SER 202 N 0.00 0.27 0.77 0.00 4.64 -0.34 -3.19 113.55 115.70 7tim h SER 202 Ca -0.00 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 7tim h SER 202 Cb 0.39 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 7tim h SER 202 CO 0.01 0.97 -0.86 -0.62 -0.87 0.00 0.00 176.83 175.47 7tim n GLU 203 N -3.71 0.38 -2.20 4.77 1.02 -0.85 -4.70 120.64 115.35 7tim n GLU 203 Ca -0.03 0.07 -0.41 0.00 -0.02 0.00 0.00 57.16 56.76 7tim n GLU 203 Cb 0.76 -1.69 -0.03 0.00 -0.02 0.00 0.00 31.44 30.46 7tim n GLU 203 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 7tim s LEU 204 N -4.44 4.41 0.00 -4.62 1.98 -0.87 -4.88 118.68 110.27 7tim s LEU 204 Ca 0.04 2.42 -0.18 0.00 -2.89 0.00 0.00 54.13 53.52 7tim s LEU 204 Cb 0.13 -3.61 -0.06 0.00 0.66 0.00 0.00 46.19 43.31 7tim s LEU 204 CO 0.76 -0.54 0.52 -0.13 -1.89 0.00 0.00 176.35 175.07 7tim s ARG 205 N -0.15 4.18 -0.35 1.98 3.00 -1.26 -5.01 118.95 121.34 7tim s ARG 205 Ca 0.57 0.60 0.01 0.00 0.00 0.00 0.00 55.73 56.91 7tim s ARG 205 Cb -0.37 -3.29 0.11 0.00 0.00 0.00 0.00 34.95 31.40 7tim s ARG 205 CO 0.39 0.50 0.12 0.42 0.00 0.00 0.00 175.30 176.73 7tim s ILE 206 N -0.57 1.41 0.46 1.52 1.01 -1.25 -0.55 121.20 123.23 7tim s ILE 206 Ca 0.28 -1.95 -0.10 0.00 0.00 0.00 0.00 60.65 58.88 7tim s ILE 206 Cb -0.18 -2.04 -0.05 0.00 0.01 0.00 0.00 42.46 40.20 7tim s ILE 206 CO 0.16 -0.71 0.82 -0.76 0.00 0.00 0.00 174.94 174.45 7tim s LEU 207 N 1.10 3.69 0.03 2.97 1.43 1.00 -2.24 118.68 126.66 7tim s LEU 207 Ca 0.12 1.14 0.01 0.00 -1.03 0.00 0.00 54.13 54.38 7tim s LEU 207 Cb -0.20 -4.07 -0.04 0.00 0.03 0.00 0.00 46.19 41.92 7tim s LEU 207 CO -0.15 -0.52 0.06 -0.47 0.23 0.00 0.00 176.35 175.50 7tim s TYR 208 N -2.59 3.19 -0.01 0.29 5.04 -0.22 -1.55 117.35 121.50 7tim s TYR 208 Ca 0.51 0.12 -0.10 0.00 -2.44 0.00 0.00 57.07 55.17 7tim s TYR 208 Cb -0.10 -1.67 0.01 0.00 0.35 0.00 0.00 41.96 40.55 7tim s TYR 208 CO 0.38 0.52 0.20 0.20 -1.34 0.00 0.00 175.55 175.50 7tim s GLY 209 N -1.94 -0.04 0.00 8.97 0.00 -0.19 -2.36 107.32 111.76 7tim s GLY 209 Ca 0.24 0.11 0.00 0.00 0.00 0.00 0.00 44.72 45.07 7tim s GLY 209 CO 0.16 -0.04 0.00 0.61 0.00 0.00 0.00 173.10 173.83 7tim n GLY 210 N 1.61 2.23 2.62 0.20 0.00 -1.26 -3.73 105.19 106.86 7tim n GLY 210 Ca -0.21 -0.62 -0.21 0.00 0.00 0.00 0.00 46.02 44.99 7tim n GLY 210 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 7tim n SER 211 N 0.00 -5.87 -4.68 1.61 7.64 -0.72 -4.29 113.62 107.31 7tim n SER 211 Ca 0.00 -0.12 -0.42 0.00 1.01 0.00 0.00 58.87 59.33 7tim n SER 211 Cb 0.00 -4.81 -0.03 0.00 -1.01 0.00 0.00 64.21 58.37 7tim n SER 211 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 7tim s ALA 212 N -3.07 3.54 0.30 -0.43 0.00 -1.26 -4.69 121.76 116.15 7tim s ALA 212 Ca 0.12 0.64 0.03 0.00 0.00 0.00 0.00 51.96 52.74 7tim s ALA 212 Cb -0.05 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 7tim s ALA 212 CO 0.15 -0.88 0.12 0.54 0.00 0.00 0.00 175.76 175.69 7tim s ASN 213 N 1.67 1.63 0.57 0.00 2.20 -1.26 -4.63 114.94 115.11 7tim s ASN 213 Ca 0.57 -1.49 0.35 0.00 -0.94 0.00 0.00 52.86 51.35 7tim s ASN 213 Cb -0.25 0.27 1.89 0.00 -2.00 0.00 0.00 41.25 41.15 7tim s ASN 213 CO 0.21 -0.81 2.06 1.23 -2.94 0.00 0.00 177.10 176.85 7tim h GLY 214 N 2.22 0.00 0.03 0.45 0.00 -1.95 -1.83 103.07 101.98 7tim h GLY 214 Ca -0.36 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.71 7tim h GLY 214 CO 0.57 0.00 -1.42 1.44 0.00 0.00 0.00 176.54 177.14 7tim n SER 215 N -2.79 1.88 0.04 0.19 7.64 -1.26 -4.36 113.62 114.96 7tim n SER 215 Ca -0.02 0.40 0.13 0.00 1.01 0.00 0.00 58.87 60.39 7tim n SER 215 Cb 0.14 -0.95 0.42 0.00 -1.01 0.00 0.00 64.21 62.81 7tim n SER 215 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 7tim n ASN 216 N -4.37 0.46 -0.15 6.43 0.23 -1.17 -3.94 115.26 112.75 7tim n ASN 216 Ca -0.34 0.34 -0.03 0.00 -0.53 0.00 0.00 54.58 54.02 7tim n ASN 216 Cb 0.72 -0.36 0.06 0.00 -2.08 0.00 0.00 39.78 38.11 7tim n ASN 216 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 7tim h ALA 217 N 2.76 0.52 -0.52 -2.53 0.00 -1.53 -1.13 119.26 116.84 7tim h ALA 217 Ca 0.00 0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.16 7tim h ALA 217 Cb 0.62 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 7tim h ALA 217 CO 0.00 -0.31 0.39 -0.24 0.00 0.00 0.00 179.25 179.09 7tim h VAL 218 N 0.23 0.67 0.00 0.00 3.04 -1.82 -1.62 116.25 116.74 7tim h VAL 218 Ca 0.24 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.93 7tim h VAL 218 Cb 0.31 0.72 0.00 0.00 -2.01 0.00 0.00 31.29 30.31 7tim h VAL 218 CO -0.31 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 176.60 7tim n THR 219 N -4.27 0.62 1.18 3.17 -2.24 -0.43 -2.18 114.28 110.13 7tim n THR 219 Ca 0.09 0.03 0.13 0.00 -2.27 0.00 0.00 64.05 62.03 7tim n THR 219 Cb 0.61 -0.82 0.25 0.00 -2.10 0.00 0.00 70.33 68.27 7tim n THR 219 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 7tim n PHE 220 N -1.95 0.00 0.14 4.78 3.01 -0.61 -4.59 117.46 118.24 7tim n PHE 220 Ca 0.04 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.69 7tim n PHE 220 Cb 0.30 -0.00 0.78 0.00 -0.01 0.00 0.00 39.48 40.55 7tim n PHE 220 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 7tim h LYS 221 N 3.74 0.00 -0.10 -1.08 3.64 -1.49 -2.54 116.57 118.74 7tim h LYS 221 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 7tim h LYS 221 Cb 0.81 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 7tim h LYS 221 CO 0.00 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 176.93 7tim n ASP 222 N -3.86 2.50 -4.61 4.20 8.00 -1.26 -4.91 116.55 116.62 7tim n ASP 222 Ca 0.05 -1.72 -0.43 0.00 0.71 0.00 0.00 54.79 53.39 7tim n ASP 222 Cb 0.46 -0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.49 7tim n ASP 222 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 7tim s LYS 223 N -1.28 3.78 0.44 -1.24 -0.14 -0.96 -4.90 119.74 115.44 7tim s LYS 223 Ca 0.21 0.66 0.11 0.00 -1.36 0.00 0.00 55.97 55.58 7tim s LYS 223 Cb 0.14 -3.88 0.97 0.00 -1.68 0.00 0.00 37.83 33.37 7tim s LYS 223 CO 0.20 -1.31 2.05 0.00 -0.76 0.00 0.00 175.35 175.53 7tim h ALA 224 N 9.07 1.74 -0.45 5.17 0.00 -1.91 -2.63 119.26 130.25 7tim h ALA 224 Ca -0.23 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.61 7tim h ALA 224 Cb 1.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.76 7tim h ALA 224 CO 1.11 0.21 0.00 -0.25 0.00 0.00 0.00 179.25 180.32 7tim n ASP 225 N -4.44 3.36 -4.42 0.00 8.00 -1.26 -4.74 116.55 113.06 7tim n ASP 225 Ca 0.00 -1.95 -0.44 0.00 0.71 0.00 0.00 54.79 53.11 7tim n ASP 225 Cb 0.13 -0.30 -0.09 0.00 -0.02 0.00 0.00 41.12 40.84 7tim n ASP 225 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 7tim s VAL 226 N -1.17 5.24 -2.77 2.53 1.01 -0.99 -4.69 120.40 119.56 7tim s VAL 226 Ca 0.36 -0.90 0.23 0.00 0.00 0.00 0.00 61.98 61.68 7tim s VAL 226 Cb 0.20 -4.05 0.15 0.00 0.00 0.00 0.00 36.38 32.68 7tim s VAL 226 CO 0.27 -0.47 1.21 0.47 0.00 0.00 0.00 175.10 176.58 7tim n ASP 227 N 5.19 2.79 0.00 3.32 8.00 -0.95 -4.81 116.55 130.10 7tim n ASP 227 Ca -0.12 -1.90 0.00 0.00 0.71 0.00 0.00 54.79 53.49 7tim n ASP 227 Cb 0.45 0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 7tim n ASP 227 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 7tim n GLY 228 N 1.34 -0.52 3.25 0.44 0.00 -1.26 -2.05 105.19 106.39 7tim n GLY 228 Ca 0.13 -1.45 -0.16 0.00 0.00 0.00 0.00 46.02 44.54 7tim n GLY 228 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 7tim s PHE 229 N -2.69 1.33 -0.35 1.61 0.40 -0.19 -1.05 117.98 117.03 7tim s PHE 229 Ca 0.00 -0.66 -0.01 0.00 -0.60 0.00 0.00 56.93 55.65 7tim s PHE 229 Cb 0.00 -0.68 0.08 0.00 0.51 0.00 0.00 43.02 42.94 7tim s PHE 229 CO 0.00 0.12 0.09 -1.17 0.70 0.00 0.00 175.22 174.97 7tim s LEU 230 N -2.88 4.61 -0.25 -0.37 2.96 -1.00 0.11 118.68 121.87 7tim s LEU 230 Ca 0.13 -1.74 -0.10 0.00 -0.22 0.00 0.00 54.13 52.21 7tim s LEU 230 Cb -0.01 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 7tim s LEU 230 CO 0.02 -0.40 0.14 -0.69 -1.32 0.00 0.00 176.35 174.10 7tim s VAL 231 N 1.15 5.02 0.00 1.68 1.01 0.22 -4.18 120.40 125.30 7tim s VAL 231 Ca 0.03 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.08 7tim s VAL 231 Cb -0.21 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.82 7tim s VAL 231 CO -0.04 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.00 7tim n GLY 232 N 4.62 1.73 0.40 4.51 0.00 -1.26 0.17 105.19 115.36 7tim n GLY 232 Ca -0.15 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.06 7tim n GLY 232 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 7tim h GLY 233 N 0.00 1.02 2.00 -0.02 0.00 -1.92 -2.29 103.07 101.86 7tim h GLY 233 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.12 7tim h GLY 233 CO 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 176.54 176.51 7tim h ALA 234 N 1.61 1.00 -0.04 3.60 0.00 -1.85 -3.21 119.26 120.36 7tim h ALA 234 Ca 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.38 7tim h ALA 234 Cb 1.19 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 7tim h ALA 234 CO -0.22 0.00 -0.12 0.66 0.00 0.00 0.00 179.25 179.58 7tim h SER 235 N 0.00 0.06 -0.20 0.00 4.64 -1.61 -1.80 113.55 114.64 7tim h SER 235 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 7tim h SER 235 Cb 0.73 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 7tim h SER 235 CO 0.00 0.19 0.00 0.18 -0.87 0.00 0.00 176.83 176.33 7tim n LEU 236 N -4.36 1.31 -4.41 5.97 4.77 -1.21 -4.83 117.00 114.23 7tim n LEU 236 Ca -0.02 -0.61 -0.24 0.00 -0.03 0.00 0.00 56.01 55.12 7tim n LEU 236 Cb 0.21 -0.13 -0.11 0.00 -2.33 0.00 0.00 43.42 41.06 7tim n LEU 236 CO 0.36 0.30 -0.49 -0.54 -1.33 0.00 0.00 177.39 175.69 7tim s LYS 237 N -1.74 1.49 0.49 3.23 1.02 -0.68 -5.02 119.74 118.54 7tim s LYS 237 Ca 0.24 -1.59 0.25 0.00 0.02 0.00 0.00 55.97 54.89 7tim s LYS 237 Cb 0.12 -1.61 1.32 0.00 -0.52 0.00 0.00 37.83 37.14 7tim s LYS 237 CO 0.18 0.32 1.89 -1.35 -0.92 0.00 0.00 175.35 175.47 7tim h PRO 238 N 2.81 0.15 0.00 -1.68 0.11 -1.90 -1.39 132.00 130.10 7tim h PRO 238 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 7tim h PRO 238 Cb 1.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 7tim h PRO 238 CO 0.55 0.10 0.00 -0.85 -0.21 0.00 0.00 178.00 177.59 7tim n GLU 239 N -4.38 0.09 -0.18 1.05 0.28 -1.26 -0.46 120.64 115.78 7tim n GLU 239 Ca 0.18 0.59 -0.04 0.00 -0.16 0.00 0.00 57.16 57.73 7tim n GLU 239 Cb 0.81 -1.80 0.15 0.00 1.43 0.00 0.00 31.44 32.04 7tim n GLU 239 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 7tim h PHE 240 N 0.00 0.97 -0.41 -1.84 3.57 -1.28 -1.66 116.94 116.30 7tim h PHE 240 Ca 0.00 -0.09 -0.07 0.00 3.53 0.00 0.00 57.97 61.34 7tim h PHE 240 Cb 0.00 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.44 7tim h PHE 240 CO 0.00 0.79 -0.04 0.28 -2.23 0.00 0.00 178.31 177.10 7tim h VAL 241 N 0.92 1.24 -0.46 1.41 2.07 -0.98 -1.98 116.25 118.47 7tim h VAL 241 Ca 0.20 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.71 7tim h VAL 241 Cb 0.27 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 7tim h VAL 241 CO -0.01 0.34 0.22 0.44 0.02 0.00 0.00 177.57 178.58 7tim h ASP 242 N 0.64 0.60 -0.43 0.57 3.32 -1.49 -2.10 116.42 117.52 7tim h ASP 242 Ca 0.12 -0.13 0.08 0.00 0.02 0.00 0.00 57.03 57.12 7tim h ASP 242 Cb 0.46 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.79 7tim h ASP 242 CO 0.02 0.56 0.05 0.40 -1.72 0.00 0.00 179.24 178.55 7tim h ILE 243 N 0.59 0.72 -0.85 0.35 2.04 -0.74 -1.87 117.51 117.76 7tim h ILE 243 Ca 0.16 -0.06 0.06 0.00 1.00 0.00 0.00 64.86 66.02 7tim h ILE 243 Cb 0.13 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 7tim h ILE 243 CO -0.02 0.03 0.52 0.40 0.00 0.00 0.00 178.15 179.08 7tim h ILE 244 N 0.17 1.04 -0.02 -0.67 2.04 -0.88 -2.15 117.51 117.03 7tim h ILE 244 Ca 0.21 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.75 7tim h ILE 244 Cb 0.29 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 7tim h ILE 244 CO -0.31 0.17 0.00 0.59 0.00 0.00 0.00 178.15 178.60 7tim n ASN 245 N -4.63 0.62 0.08 1.72 5.03 -0.84 -4.41 115.26 112.83 7tim n ASN 245 Ca 0.12 -1.29 0.05 0.00 0.87 0.00 0.00 54.58 54.33 7tim n ASN 245 Cb 0.17 -0.01 0.29 0.00 -1.02 0.00 0.00 39.78 39.21 7tim n ASN 245 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 7tim n SER 246 N -0.48 0.27 -0.16 6.41 3.41 -0.76 -0.59 113.62 121.73 7tim n SER 246 Ca 0.20 0.62 0.01 0.00 -0.26 0.00 0.00 58.87 59.45 7tim n SER 246 Cb 0.20 -0.66 0.03 0.00 -0.26 0.00 0.00 64.21 63.52 7tim n SER 246 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 7tim n ARG 247 N -1.86 2.05 0.00 4.33 1.74 -1.26 -4.65 116.66 117.01 7tim n ARG 247 Ca -0.01 -1.40 0.13 0.00 -0.77 0.00 0.00 57.85 55.80 7tim n ARG 247 Cb 0.02 -1.07 0.21 0.00 -1.02 0.00 0.00 32.46 30.60 7tim n ARG 247 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40