#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1til s MET 1 N 0.00 1.86 -0.14 -0.41 1.00 -1.26 -4.74 119.30 115.61 1til s MET 1 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 55.69 54.80 1til s MET 1 Cb 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 34.83 32.99 1til s MET 1 CO 0.00 0.50 0.00 -1.13 0.00 0.00 0.00 175.02 174.39 1til n SER 2 N 2.34 -3.93 -3.59 3.03 3.41 -1.26 -4.80 113.62 108.83 1til n SER 2 Ca -0.16 0.03 -0.11 0.00 -0.26 0.00 0.00 58.87 58.37 1til n SER 2 Cb 0.52 -2.56 -0.11 0.00 -0.26 0.00 0.00 64.21 61.80 1til n SER 2 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1til s LEU 3 N -0.35 -0.47 -0.19 1.04 2.96 -1.26 0.37 118.68 120.77 1til s LEU 3 Ca 0.00 0.59 -0.12 0.00 -0.22 0.00 0.00 54.13 54.38 1til s LEU 3 Cb 0.00 0.98 -0.05 0.00 0.50 0.00 0.00 46.19 47.62 1til s LEU 3 CO 0.00 -0.26 0.20 0.00 -1.32 0.00 0.00 176.35 174.97 1til s ALA 4 N 2.50 3.64 -0.19 5.97 0.00 0.06 -4.06 121.76 129.68 1til s ALA 4 Ca 0.03 -0.64 -0.05 0.00 0.00 0.00 0.00 51.96 51.30 1til s ALA 4 Cb -0.13 -2.29 -0.03 0.00 0.00 0.00 0.00 23.12 20.67 1til s ALA 4 CO -0.12 0.05 0.01 0.42 0.00 0.00 0.00 175.76 176.13 1til s ILE 5 N 0.56 4.13 -0.29 0.00 1.01 -1.26 -2.06 121.20 123.30 1til s ILE 5 Ca 0.11 -0.26 0.01 0.00 0.00 0.00 0.00 60.65 60.52 1til s ILE 5 Cb -0.12 -2.86 0.06 0.00 0.01 0.00 0.00 42.46 39.55 1til s ILE 5 CO 0.01 0.44 -0.04 -0.62 0.00 0.00 0.00 174.94 174.73 1til s ASP 6 N 0.80 4.67 -0.12 3.58 2.15 -0.44 -5.00 116.67 122.31 1til s ASP 6 Ca 0.01 -1.47 -0.03 0.00 0.43 0.00 0.00 52.55 51.49 1til s ASP 6 Cb -0.14 -1.63 -0.03 0.00 -0.30 0.00 0.00 42.92 40.82 1til s ASP 6 CO 0.02 -0.25 -0.01 -0.76 -0.17 0.00 0.00 175.17 174.00 1til s LEU 7 N 1.13 3.45 -0.13 -1.34 1.43 -1.26 -0.96 118.68 121.00 1til s LEU 7 Ca -0.05 0.02 -0.06 0.00 -1.03 0.00 0.00 54.13 53.01 1til s LEU 7 Cb -0.20 -1.81 0.06 0.00 0.03 0.00 0.00 46.19 44.27 1til s LEU 7 CO -0.04 0.28 0.30 -0.70 0.23 0.00 0.00 176.35 176.42 1til s GLU 8 N -0.30 0.24 -0.19 1.70 2.12 -0.77 -5.00 118.70 116.51 1til s GLU 8 Ca 0.06 0.68 -0.08 0.00 0.36 0.00 0.00 54.97 55.99 1til s GLU 8 Cb -0.12 -0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.18 1til s GLU 8 CO 0.02 -0.20 0.08 0.08 -0.54 0.00 0.00 175.26 174.70 1til s VAL 9 N 1.65 4.91 -0.16 3.70 1.01 -1.26 -0.25 120.40 130.00 1til s VAL 9 Ca -0.06 0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.93 1til s VAL 9 Cb -0.10 -3.22 0.03 0.00 0.00 0.00 0.00 36.38 33.08 1til s VAL 9 CO -0.10 0.46 -0.13 -0.54 0.00 0.00 0.00 175.10 174.79 1til s LYS 10 N 0.38 2.20 0.00 2.72 1.02 0.64 -4.97 119.74 121.72 1til s LYS 10 Ca 0.04 -0.62 0.00 0.00 0.02 0.00 0.00 55.97 55.41 1til s LYS 10 Cb -0.12 -2.17 0.00 0.00 -0.52 0.00 0.00 37.83 35.02 1til s LYS 10 CO -0.00 -0.29 0.00 1.04 -0.92 0.00 0.00 175.35 175.18 1til n GLN 11 N 4.76 0.00 -0.97 1.68 6.02 -1.26 0.13 117.38 127.74 1til n GLN 11 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.83 1til n GLN 11 Cb 0.49 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.75 1til n GLN 11 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1til n ASP 12 N 0.57 -2.92 -3.96 1.08 5.75 -1.26 -5.01 116.55 110.80 1til n ASP 12 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 54.79 54.54 1til n ASP 12 Cb 0.00 -1.19 -0.17 0.00 -1.03 0.00 0.00 41.12 38.73 1til n ASP 12 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1til s VAL 13 N -2.06 0.94 -0.23 2.12 1.01 0.34 -0.55 120.40 121.97 1til s VAL 13 Ca 0.00 -0.34 -0.11 0.00 0.00 0.00 0.00 61.98 61.53 1til s VAL 13 Cb 0.00 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 1til s VAL 13 CO 0.00 0.32 0.18 -0.22 0.00 0.00 0.00 175.10 175.38 1til s LEU 14 N 0.96 4.14 -0.27 3.92 2.96 -0.01 -0.26 118.68 130.11 1til s LEU 14 Ca -0.10 0.18 -0.08 0.00 -0.22 0.00 0.00 54.13 53.91 1til s LEU 14 Cb -0.15 -2.14 -0.02 0.00 0.50 0.00 0.00 46.19 44.38 1til s LEU 14 CO 0.00 0.08 0.11 -0.63 -1.32 0.00 0.00 176.35 174.59 1til s ILE 15 N 0.91 4.52 -0.27 6.68 1.01 0.65 -0.67 121.20 134.04 1til s ILE 15 Ca 0.09 -0.21 -0.05 0.00 0.00 0.00 0.00 60.65 60.48 1til s ILE 15 Cb -0.13 -3.18 0.01 0.00 0.01 0.00 0.00 42.46 39.17 1til s ILE 15 CO 0.03 0.25 0.01 -0.69 0.00 0.00 0.00 174.94 174.54 1til s VAL 16 N 1.63 3.52 -0.28 2.92 1.01 -0.10 -1.84 120.40 127.26 1til s VAL 16 Ca 0.06 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 1til s VAL 16 Cb -0.16 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.45 1til s VAL 16 CO 0.05 0.18 0.06 -0.13 0.00 0.00 0.00 175.10 175.26 1til s ARG 17 N 1.44 3.16 -0.07 2.72 0.52 -0.13 -0.02 118.95 126.57 1til s ARG 17 Ca 0.02 -0.80 -0.04 0.00 -0.52 0.00 0.00 55.73 54.39 1til s ARG 17 Cb -0.17 -3.32 -0.04 0.00 0.52 0.00 0.00 34.95 31.95 1til s ARG 17 CO -0.01 -0.39 0.12 -0.51 0.02 0.00 0.00 175.30 174.53 1til s LEU 18 N 1.50 4.19 -0.22 2.53 1.43 -0.57 -1.33 118.68 126.21 1til s LEU 18 Ca 0.03 0.34 -0.04 0.00 -1.03 0.00 0.00 54.13 53.44 1til s LEU 18 Cb -0.17 -2.20 0.10 0.00 0.03 0.00 0.00 46.19 43.95 1til s LEU 18 CO 0.02 0.35 0.24 -0.55 0.23 0.00 0.00 176.35 176.63 1til s SER 19 N -1.35 1.38 0.00 2.29 0.15 -0.87 -3.31 113.70 111.98 1til s SER 19 Ca 0.19 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.57 1til s SER 19 Cb -0.12 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 1til s SER 19 CO 0.09 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1til n GLY 20 N 5.32 0.60 3.72 9.45 0.00 0.43 -0.76 105.19 123.95 1til n GLY 20 Ca -0.05 -1.67 -0.34 0.00 0.00 0.00 0.00 46.02 43.96 1til n GLY 20 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1til s GLU 21 N -1.56 2.99 -0.26 1.61 2.02 0.16 -0.01 118.70 123.65 1til s GLU 21 Ca 0.00 -0.46 0.02 0.00 0.02 0.00 0.00 54.97 54.56 1til s GLU 21 Cb 0.00 -2.81 0.07 0.00 0.10 0.00 0.00 34.13 31.49 1til s GLU 21 CO 0.00 0.68 -0.07 -1.17 0.02 0.00 0.00 175.26 174.72 1til s LEU 22 N -1.28 3.32 0.29 1.80 2.96 0.66 -4.32 118.68 122.12 1til s LEU 22 Ca 0.17 -1.43 0.04 0.00 -0.22 0.00 0.00 54.13 52.70 1til s LEU 22 Cb -0.12 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 1til s LEU 22 CO 0.07 -0.23 0.22 1.51 -1.32 0.00 0.00 176.35 176.60 1til s ASP 23 N 1.17 1.23 0.05 3.68 1.47 -1.26 -2.74 116.67 120.27 1til s ASP 23 Ca -0.05 -1.62 -0.10 0.00 1.18 0.00 0.00 52.55 51.96 1til s ASP 23 Cb -0.19 0.48 -0.02 0.00 -0.34 0.00 0.00 42.92 42.85 1til s ASP 23 CO -0.06 -0.97 0.72 1.57 0.68 0.00 0.00 175.17 177.11 1til n HIS 24 N -0.52 -0.13 -0.04 2.11 -0.00 -1.26 0.58 115.22 115.96 1til n HIS 24 Ca 0.05 0.38 -0.13 0.00 -0.00 0.00 0.00 57.72 58.02 1til n HIS 24 Cb 0.64 -0.43 -0.07 0.00 -0.00 0.00 0.00 29.99 30.13 1til n HIS 24 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1til h HIS 25 N 0.00 -1.39 0.00 1.57 -0.00 -2.00 -2.12 115.15 111.20 1til h HIS 25 Ca 0.05 0.06 -0.10 0.00 -0.00 0.00 0.00 60.37 60.38 1til h HIS 25 Cb 0.13 0.64 -0.01 0.00 -0.00 0.00 0.00 27.41 28.16 1til h HIS 25 CO -0.55 -0.50 -0.47 0.00 -0.00 0.00 0.00 177.93 176.41 1til h THR 26 N -0.49 1.30 0.00 6.26 1.03 -1.52 -2.85 112.91 116.65 1til h THR 26 Ca 0.07 -1.64 -0.06 0.00 -0.01 0.00 0.00 66.41 64.77 1til h THR 26 Cb 0.64 1.89 -0.01 0.00 -1.07 0.00 0.00 68.15 69.60 1til h THR 26 CO -0.46 0.46 -0.27 0.00 -0.01 0.00 0.00 175.52 175.24 1til h ALA 27 N 1.53 1.45 -0.27 0.00 0.00 0.69 -2.40 119.26 120.24 1til h ALA 27 Ca -0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1til h ALA 27 Cb 0.86 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1til h ALA 27 CO 0.06 0.34 0.09 0.93 0.00 0.00 0.00 179.25 180.68 1til h GLU 28 N 0.00 0.42 -0.34 0.00 4.39 -1.15 -1.02 114.58 116.88 1til h GLU 28 Ca -0.00 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 1til h GLU 28 Cb 0.51 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 1til h GLU 28 CO 0.04 0.47 0.16 1.49 -1.16 0.00 0.00 179.01 180.01 1til h GLU 29 N 0.28 0.46 -0.14 2.33 4.57 -1.52 -2.04 114.58 118.53 1til h GLU 29 Ca 0.09 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.15 1til h GLU 29 Cb 0.22 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1til h GLU 29 CO -0.00 0.36 -0.20 1.25 -1.18 0.00 0.00 179.01 179.24 1til h LEU 30 N 0.47 0.41 -0.44 1.64 5.85 -0.97 -2.33 115.31 119.94 1til h LEU 30 Ca 0.12 -0.52 0.03 0.00 0.84 0.00 0.00 57.88 58.35 1til h LEU 30 Cb 0.05 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1til h LEU 30 CO -0.02 0.85 0.24 -0.09 -0.34 0.00 0.00 178.44 179.08 1til h ARG 31 N -0.02 0.47 0.69 1.25 2.43 -0.90 -1.40 114.38 116.90 1til h ARG 31 Ca 0.01 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1til h ARG 31 Cb 0.76 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1til h ARG 31 CO 0.05 0.31 -0.38 0.93 -1.51 0.00 0.00 179.97 179.36 1til h GLU 32 N 0.48 -0.95 -1.02 0.20 5.08 -1.40 -1.11 114.58 115.86 1til h GLU 32 Ca 0.18 0.06 0.25 0.00 -1.00 0.00 0.00 59.36 58.86 1til h GLU 32 Cb 0.06 0.22 -0.11 0.00 0.50 0.00 0.00 28.75 29.42 1til h GLU 32 CO -0.11 -0.63 0.63 1.96 -1.00 0.00 0.00 179.01 179.86 1til h GLN 33 N -0.98 0.50 0.03 2.33 4.20 -1.31 -1.27 115.11 118.61 1til h GLN 33 Ca -0.09 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 1til h GLN 33 Cb 0.77 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.44 1til h GLN 33 CO 0.12 0.33 -0.01 0.28 -0.67 0.00 0.00 178.83 178.88 1til h VAL 34 N 0.52 1.27 0.00 -0.54 2.07 -1.13 -3.13 116.25 115.30 1til h VAL 34 Ca 0.62 -1.79 0.00 0.00 0.82 0.00 0.00 66.70 66.35 1til h VAL 34 Cb 1.32 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 33.41 1til h VAL 34 CO -0.39 0.40 0.00 0.35 0.02 0.00 0.00 177.57 177.96 1til n THR 35 N -4.72 1.72 0.08 2.57 -2.24 -0.43 -0.48 114.28 110.78 1til n THR 35 Ca -0.08 0.48 -0.14 0.00 -2.27 0.00 0.00 64.05 62.05 1til n THR 35 Cb 0.33 -1.44 -0.07 0.00 -2.10 0.00 0.00 70.33 67.06 1til n THR 35 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1til h ASP 36 N 0.00 0.48 0.21 3.42 1.82 -1.18 -2.84 116.42 118.33 1til h ASP 36 Ca 0.00 -0.42 -0.29 0.00 -0.39 0.00 0.00 57.03 55.93 1til h ASP 36 Cb 0.05 -0.15 0.03 0.00 0.68 0.00 0.00 39.33 39.93 1til h ASP 36 CO 0.00 1.25 -1.24 0.58 -1.61 0.00 0.00 179.24 178.21 1til h VAL 37 N 0.18 1.31 0.00 2.25 2.07 -0.75 -3.09 116.25 118.22 1til h VAL 37 Ca -0.09 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 64.89 1til h VAL 37 Cb 1.68 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 34.17 1til h VAL 37 CO 0.17 0.77 0.00 -0.07 0.02 0.00 0.00 177.57 178.46 1til h LEU 38 N 0.24 0.00 0.03 2.57 3.38 -1.33 -0.05 115.31 120.15 1til h LEU 38 Ca -0.18 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.47 1til h LEU 38 Cb 1.92 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.62 1til h LEU 38 CO 0.23 0.00 -1.86 -0.62 0.09 0.00 0.00 178.44 176.29 1til n GLU 39 N -2.44 0.67 0.00 1.13 1.02 -1.07 -4.26 120.64 115.68 1til n GLU 39 Ca -0.01 0.26 0.11 0.00 -0.02 0.00 0.00 57.16 57.50 1til n GLU 39 Cb 0.07 -1.74 0.14 0.00 -0.02 0.00 0.00 31.44 29.89 1til n GLU 39 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1til n ASN 40 N -3.14 0.65 -3.97 1.62 3.02 -0.70 -4.94 115.26 107.79 1til n ASN 40 Ca -0.23 -0.47 -0.09 0.00 -0.03 0.00 0.00 54.58 53.76 1til n ASN 40 Cb 1.06 0.47 -0.09 0.00 -0.61 0.00 0.00 39.78 40.61 1til n ASN 40 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1til s ARG 41 N -3.00 0.59 -0.71 3.52 0.52 -0.12 -5.10 118.95 114.66 1til s ARG 41 Ca 0.10 -0.90 -0.21 0.00 -0.52 0.00 0.00 55.73 54.20 1til s ARG 41 Cb 0.17 0.22 0.09 0.00 0.52 0.00 0.00 34.95 35.95 1til s ARG 41 CO 0.75 -0.14 0.95 0.00 0.02 0.00 0.00 175.30 176.88 1til s ALA 42 N -3.01 3.23 -0.22 2.13 0.00 -1.26 -4.50 121.76 118.13 1til s ALA 42 Ca -0.02 -2.12 -0.10 0.00 0.00 0.00 0.00 51.96 49.72 1til s ALA 42 Cb 0.01 -3.84 -0.05 0.00 0.00 0.00 0.00 23.12 19.24 1til s ALA 42 CO -0.06 -2.74 0.14 0.42 0.00 0.00 0.00 175.76 173.51 1til s ILE 43 N 3.50 5.32 -0.24 0.00 -1.09 -1.26 -4.48 121.20 122.94 1til s ILE 43 Ca 0.22 0.16 -0.11 0.00 -2.23 0.00 0.00 60.65 58.70 1til s ILE 43 Cb -0.16 -3.45 -0.16 0.00 -1.58 0.00 0.00 42.46 37.11 1til s ILE 43 CO 0.05 0.40 -0.13 -1.14 -1.23 0.00 0.00 174.94 172.88 1til n ARG 44 N 3.89 0.62 -4.50 2.79 3.00 0.29 -4.99 116.66 117.77 1til n ARG 44 Ca -0.16 0.30 -0.24 0.00 -0.00 0.00 0.00 57.85 57.75 1til n ARG 44 Cb 0.52 -1.57 -0.10 0.00 0.00 0.00 0.00 32.46 31.30 1til n ARG 44 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1til s HIS 45 N -2.49 2.22 -0.03 -0.14 3.76 -0.62 -3.77 115.29 114.22 1til s HIS 45 Ca -0.34 -0.58 -0.01 0.00 -0.15 0.00 0.00 55.06 53.98 1til s HIS 45 Cb 0.11 -1.27 0.03 0.00 1.11 0.00 0.00 32.58 32.56 1til s HIS 45 CO 0.57 0.46 0.06 0.42 -0.85 0.00 0.00 174.74 175.39 1til s ILE 46 N -2.78 -0.09 -0.25 0.60 1.01 -1.08 -0.83 121.20 117.78 1til s ILE 46 Ca 0.31 0.30 -0.06 0.00 0.00 0.00 0.00 60.65 61.21 1til s ILE 46 Cb 0.03 -0.13 -0.01 0.00 0.01 0.00 0.00 42.46 42.36 1til s ILE 46 CO 0.15 0.13 0.02 -0.69 0.00 0.00 0.00 174.94 174.54 1til s VAL 47 N 1.57 3.82 -0.38 2.92 1.01 0.16 -1.07 120.40 128.42 1til s VAL 47 Ca -0.03 -0.42 -0.13 0.00 0.00 0.00 0.00 61.98 61.40 1til s VAL 47 Cb -0.12 -2.81 0.02 0.00 0.00 0.00 0.00 36.38 33.47 1til s VAL 47 CO -0.03 0.32 0.24 -0.22 0.00 0.00 0.00 175.10 175.41 1til s LEU 48 N 1.53 4.80 -0.54 3.92 2.96 0.17 -0.92 118.68 130.61 1til s LEU 48 Ca 0.05 -0.87 -0.17 0.00 -0.22 0.00 0.00 54.13 52.91 1til s LEU 48 Cb -0.15 -2.08 0.10 0.00 0.50 0.00 0.00 46.19 44.55 1til s LEU 48 CO 0.00 -0.38 0.57 0.21 -1.32 0.00 0.00 176.35 175.43 1til s ASN 49 N 1.62 6.19 -0.39 3.68 3.84 0.96 -0.95 114.94 129.89 1til s ASN 49 Ca 0.04 -1.43 0.04 0.00 0.21 0.00 0.00 52.86 51.72 1til s ASN 49 Cb -0.19 -2.25 0.62 0.00 -0.55 0.00 0.00 41.25 38.88 1til s ASN 49 CO 0.08 -0.91 1.82 0.18 -2.79 0.00 0.00 177.10 175.48 1til n LEU 50 N 5.78 6.32 -0.27 3.21 4.77 -0.75 -1.51 117.00 134.54 1til n LEU 50 Ca -0.11 -3.36 -0.06 0.00 -0.03 0.00 0.00 56.01 52.45 1til n LEU 50 Cb 0.42 -0.80 0.06 0.00 -2.33 0.00 0.00 43.42 40.77 1til n LEU 50 CO 0.54 0.97 1.07 1.23 -1.33 0.00 0.00 177.39 179.87 1til h GLY 51 N 1.50 1.16 -3.95 -0.72 0.00 -1.66 -2.83 103.07 96.57 1til h GLY 51 Ca 0.54 -0.59 -0.61 0.00 0.00 0.00 0.00 47.33 46.66 1til h GLY 51 CO 0.96 0.56 0.74 -1.06 0.00 0.00 0.00 176.54 177.75 1til n GLN 52 N -4.38 2.55 -3.23 4.80 6.02 -1.21 -4.90 117.38 117.03 1til n GLN 52 Ca 0.06 -3.22 -0.45 0.00 -0.01 0.00 0.00 57.00 53.39 1til n GLN 52 Cb 0.15 -2.24 -0.06 0.00 1.02 0.00 0.00 30.24 29.10 1til n GLN 52 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1til s LEU 53 N -3.64 5.43 0.15 1.08 2.96 -1.07 -0.43 118.68 123.16 1til s LEU 53 Ca 0.62 -1.29 -0.11 0.00 -0.22 0.00 0.00 54.13 53.12 1til s LEU 53 Cb 0.50 -2.31 -0.01 0.00 0.50 0.00 0.00 46.19 44.87 1til s LEU 53 CO 0.03 -0.89 1.54 0.74 -1.32 0.00 0.00 176.35 176.45 1til h THR 54 N 5.86 1.27 -3.15 3.68 2.02 -0.78 -3.47 112.91 118.34 1til h THR 54 Ca -0.29 -1.32 -0.12 0.00 0.77 0.00 0.00 66.41 65.45 1til h THR 54 Cb 1.10 1.16 -0.19 0.00 -1.74 0.00 0.00 68.15 68.47 1til h THR 54 CO 0.99 0.45 -0.29 0.12 0.37 0.00 0.00 175.52 177.16 1til s PHE 55 N -4.70 -0.13 -0.21 3.16 5.36 -1.15 -4.98 117.98 115.32 1til s PHE 55 Ca -0.12 0.15 -0.14 0.00 -0.96 0.00 0.00 56.93 55.86 1til s PHE 55 Cb 0.12 0.08 0.06 0.00 -0.34 0.00 0.00 43.02 42.94 1til s PHE 55 CO 0.85 -0.40 0.53 1.41 -1.46 0.00 0.00 175.22 176.15 1til s MET 56 N -1.62 0.56 0.00 10.12 -2.45 -1.26 -0.24 119.30 124.41 1til s MET 56 Ca -0.12 0.90 0.00 0.00 -1.25 0.00 0.00 55.69 55.23 1til s MET 56 Cb -0.04 0.13 0.00 0.00 1.25 0.00 0.00 34.83 36.16 1til s MET 56 CO 0.02 -0.13 0.00 -0.40 1.05 0.00 0.00 175.02 175.56 1til n ASP 57 N 3.81 1.42 -0.17 1.11 5.75 -1.11 -4.97 116.55 122.39 1til n ASP 57 Ca -0.19 -0.75 0.11 0.00 -0.01 0.00 0.00 54.79 53.95 1til n ASP 57 Cb 0.57 0.00 0.43 0.00 -1.03 0.00 0.00 41.12 41.08 1til n ASP 57 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1til h ALA 58 N 0.74 1.90 -0.85 2.12 0.00 -2.00 -0.97 119.26 120.20 1til h ALA 58 Ca 0.00 -0.01 0.25 0.00 0.00 0.00 0.00 54.91 55.15 1til h ALA 58 Cb 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1til h ALA 58 CO 0.00 -0.06 0.61 0.77 0.00 0.00 0.00 179.25 180.57 1til h SER 59 N 0.58 0.01 -0.37 0.00 0.02 -1.93 0.32 113.55 112.18 1til h SER 59 Ca 0.34 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.17 1til h SER 59 Cb 0.55 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 1til h SER 59 CO -0.12 0.00 -0.25 1.23 -1.14 0.00 0.00 176.83 176.55 1til h GLY 60 N 0.01 0.90 1.53 -3.77 0.00 -1.38 -0.43 103.07 99.92 1til h GLY 60 Ca 0.41 -0.86 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 1til h GLY 60 CO -0.01 0.78 0.07 1.41 0.00 0.00 0.00 176.54 178.79 1til h LEU 61 N 0.63 0.55 0.32 3.11 3.38 -0.51 -2.36 115.31 120.43 1til h LEU 61 Ca 0.07 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1til h LEU 61 Cb 0.82 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1til h LEU 61 CO 0.07 0.58 -0.15 1.23 0.09 0.00 0.00 178.44 180.25 1til h GLY 62 N 0.83 -0.45 1.46 0.83 0.00 -0.65 -2.18 103.07 102.92 1til h GLY 62 Ca 0.13 0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.63 1til h GLY 62 CO 0.00 -0.16 0.33 -0.24 0.00 0.00 0.00 176.54 176.46 1til h VAL 63 N -0.85 1.15 0.20 4.60 3.04 -1.09 -0.37 116.25 122.92 1til h VAL 63 Ca -0.04 -0.32 -0.01 0.00 -1.01 0.00 0.00 66.70 65.31 1til h VAL 63 Cb 0.52 0.39 0.00 0.00 -2.01 0.00 0.00 31.29 30.20 1til h VAL 63 CO 0.07 0.15 -0.10 0.40 -1.01 0.00 0.00 177.57 177.09 1til h ILE 64 N 0.73 0.90 0.00 3.17 2.04 -1.47 -2.17 117.51 120.70 1til h ILE 64 Ca 0.19 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1til h ILE 64 Cb -0.04 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1til h ILE 64 CO -0.04 0.15 0.00 -0.07 0.00 0.00 0.00 178.15 178.19 1til h LEU 65 N -0.62 0.00 -0.20 1.44 3.38 -1.17 -0.74 115.31 117.40 1til h LEU 65 Ca -0.03 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 1til h LEU 65 Cb 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1til h LEU 65 CO 0.04 0.00 -0.27 1.23 0.09 0.00 0.00 178.44 179.53 1til h GLY 66 N 0.75 0.60 0.86 0.83 0.00 -0.56 -2.89 103.07 102.65 1til h GLY 66 Ca 0.00 -0.65 -0.09 0.00 0.00 0.00 0.00 47.33 46.60 1til h GLY 66 CO 0.00 0.58 -0.19 3.21 0.00 0.00 0.00 176.54 180.14 1til h ARG 67 N 0.22 0.53 -0.92 4.80 -0.00 -0.68 -3.14 114.38 115.19 1til h ARG 67 Ca 0.02 -0.27 0.24 0.00 -0.50 0.00 0.00 59.98 59.48 1til h ARG 67 Cb 0.84 0.00 -0.16 0.00 0.00 0.00 0.00 29.97 30.65 1til h ARG 67 CO 0.06 0.85 0.07 -0.92 0.00 0.00 0.00 179.97 180.03 1til h TYR 68 N 0.22 0.04 -0.39 3.04 3.20 -1.14 0.35 116.97 122.28 1til h TYR 68 Ca 0.04 0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 1til h TYR 68 Cb 0.73 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.12 1til h TYR 68 CO 0.07 -0.35 0.13 0.87 -1.64 0.00 0.00 178.16 177.25 1til h LYS 69 N 0.07 0.61 -0.68 1.82 1.57 -1.46 -0.95 116.57 117.54 1til h LYS 69 Ca 0.55 -0.12 0.14 0.00 -1.87 0.00 0.00 60.65 59.35 1til h LYS 69 Cb 1.11 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.29 1til h LYS 69 CO -0.81 0.60 0.46 1.96 -0.57 0.00 0.00 179.45 181.09 1til h GLN 70 N 0.49 0.30 0.13 3.15 4.20 -0.33 -1.54 115.11 121.51 1til h GLN 70 Ca 0.13 -0.02 -0.29 0.00 0.06 0.00 0.00 58.65 58.53 1til h GLN 70 Cb 0.24 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1til h GLN 70 CO -0.01 0.20 -1.38 0.82 -0.67 0.00 0.00 178.83 177.79 1til h ILE 71 N 0.31 1.34 -0.70 2.54 1.08 -0.85 -3.32 117.51 117.91 1til h ILE 71 Ca 0.33 -2.92 -0.01 0.00 -0.39 0.00 0.00 64.86 61.86 1til h ILE 71 Cb 0.86 2.87 -0.03 0.00 -3.07 0.00 0.00 36.82 37.45 1til h ILE 71 CO -0.08 0.85 0.38 0.11 -0.69 0.00 0.00 178.15 178.72 1til h LYS 72 N 0.08 0.96 0.00 2.37 1.79 -0.18 -1.58 116.57 120.00 1til h LYS 72 Ca -0.19 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 1til h LYS 72 Cb 2.01 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 32.46 1til h LYS 72 CO 0.19 0.71 0.00 0.09 -1.08 0.00 0.00 179.45 179.36 1til n ASN 73 N -4.37 0.00 -0.04 0.86 4.13 -0.93 -1.12 115.26 113.79 1til n ASN 73 Ca 0.07 0.38 0.04 0.00 1.68 0.00 0.00 54.58 56.75 1til n ASN 73 Cb 0.10 -0.42 0.06 0.00 -1.54 0.00 0.00 39.78 37.98 1til n ASN 73 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1til n VAL 74 N -1.42 1.38 -0.66 2.41 0.31 -0.65 -4.98 118.33 114.71 1til n VAL 74 Ca 0.03 -1.55 0.00 0.00 -0.01 0.00 0.00 64.34 62.81 1til n VAL 74 Cb 0.09 0.17 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 1til n VAL 74 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1til n GLY 75 N -0.91 0.38 2.75 2.92 0.00 -0.28 -4.98 105.19 105.08 1til n GLY 75 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 1til n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1til n GLY 76 N -2.00 -1.01 3.26 -0.02 0.00 -0.90 -4.98 105.19 99.54 1til n GLY 76 Ca 0.00 -1.76 -0.14 0.00 0.00 0.00 0.00 46.02 44.12 1til n GLY 76 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1til s GLN 77 N -4.93 1.14 -0.04 1.61 -2.07 -1.25 -4.31 119.66 109.81 1til s GLN 77 Ca 0.52 -1.54 0.07 0.00 -1.82 0.00 0.00 55.36 52.59 1til s GLN 77 Cb -0.02 -0.46 -0.02 0.00 -1.09 0.00 0.00 33.01 31.43 1til s GLN 77 CO 0.36 -0.06 -0.24 1.41 -1.32 0.00 0.00 175.29 175.44 1til s MET 78 N -3.85 2.33 -0.10 9.60 -2.45 -1.26 -2.65 119.30 120.92 1til s MET 78 Ca 0.22 -0.89 0.02 0.00 -1.25 0.00 0.00 55.69 53.79 1til s MET 78 Cb 0.05 -2.13 0.01 0.00 1.25 0.00 0.00 34.83 34.01 1til s MET 78 CO 0.04 0.49 -0.15 0.08 1.05 0.00 0.00 175.02 176.53 1til s VAL 79 N -0.44 1.48 -0.11 10.11 1.01 -0.23 -3.11 120.40 129.10 1til s VAL 79 Ca 0.05 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 1til s VAL 79 Cb -0.12 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 1til s VAL 79 CO 0.01 0.44 0.01 -0.69 0.00 0.00 0.00 175.10 174.86 1til s VAL 80 N 0.91 4.37 0.15 2.92 1.01 0.18 0.45 120.40 130.39 1til s VAL 80 Ca -0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 61.98 61.66 1til s VAL 80 Cb -0.15 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1til s VAL 80 CO -0.00 0.58 0.10 0.00 0.00 0.00 0.00 175.10 175.77 1til n ALA 82 N -0.14 -1.71 -2.65 0.00 0.00 -0.56 -1.81 120.51 113.63 1til n ALA 82 Ca -0.04 0.09 -0.40 0.00 0.00 0.00 0.00 53.44 53.08 1til n ALA 82 Cb 0.64 -3.53 -0.06 0.00 0.00 0.00 0.00 19.45 16.50 1til n ALA 82 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1til s VAL 83 N -3.40 4.99 0.88 0.00 1.01 -1.26 -2.50 120.40 120.12 1til s VAL 83 Ca 0.26 1.25 -0.11 0.00 0.00 0.00 0.00 61.98 63.38 1til s VAL 83 Cb -0.12 -3.98 0.12 0.00 0.00 0.00 0.00 36.38 32.40 1til s VAL 83 CO 0.76 0.08 1.09 -0.94 0.00 0.00 0.00 175.10 176.09 1til s SER 84 N 1.25 3.57 0.31 3.32 1.04 -1.26 -4.75 113.70 117.18 1til s SER 84 Ca 0.30 1.65 0.00 0.00 0.48 0.00 0.00 55.95 58.39 1til s SER 84 Cb -0.16 -2.32 0.51 0.00 0.10 0.00 0.00 66.02 64.15 1til s SER 84 CO 0.10 -2.60 1.91 -0.65 0.98 0.00 0.00 173.24 172.98 1til h PRO 85 N -1.52 0.83 -0.56 4.02 0.11 -1.98 0.48 132.00 133.37 1til h PRO 85 Ca -0.48 -0.11 0.02 0.00 0.11 0.00 0.00 66.00 65.54 1til h PRO 85 Cb 1.27 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1til h PRO 85 CO 0.52 0.66 0.35 0.00 -0.21 0.00 0.00 178.00 179.31 1til h ALA 86 N 1.46 0.72 -0.25 -0.75 0.00 -1.99 0.35 119.26 118.79 1til h ALA 86 Ca 0.20 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 1til h ALA 86 Cb 0.12 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1til h ALA 86 CO -0.02 0.08 -0.41 0.28 0.00 0.00 0.00 179.25 179.18 1til h VAL 87 N 0.69 1.30 -0.95 0.00 2.07 -1.81 -2.92 116.25 114.63 1til h VAL 87 Ca 0.22 -1.61 0.06 0.00 0.82 0.00 0.00 66.70 66.20 1til h VAL 87 Cb -0.00 1.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.42 1til h VAL 87 CO -0.09 0.51 0.62 0.50 0.02 0.00 0.00 177.57 179.13 1til h LYS 88 N 0.45 1.09 -1.00 1.57 3.64 -0.25 -0.95 116.57 121.12 1til h LYS 88 Ca 0.02 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1til h LYS 88 Cb 1.00 -0.24 -0.05 0.00 -0.41 0.00 0.00 32.23 32.53 1til h LYS 88 CO 0.09 0.72 0.66 -0.09 -2.27 0.00 0.00 179.45 178.56 1til h ARG 89 N 1.12 1.31 0.00 1.90 2.43 -0.17 0.12 114.38 121.09 1til h ARG 89 Ca 0.40 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.45 1til h ARG 89 Cb 0.15 -0.30 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1til h ARG 89 CO -0.15 0.87 -0.23 -0.07 -1.51 0.00 0.00 179.97 178.88 1til h LEU 90 N 1.35 0.00 0.06 3.80 3.38 -1.04 0.45 115.31 123.32 1til h LEU 90 Ca 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.33 1til h LEU 90 Cb -0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1til h LEU 90 CO -0.08 0.23 -0.03 -0.26 0.09 0.00 0.00 178.44 178.39 1til h PHE 91 N 0.00 -0.08 -0.30 1.13 0.05 -0.11 -2.59 116.94 115.05 1til h PHE 91 Ca -0.00 -0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.78 1til h PHE 91 Cb 0.76 0.03 -0.01 0.00 2.00 0.00 0.00 35.95 38.72 1til h PHE 91 CO 0.00 0.52 0.15 -0.44 -0.18 0.00 0.00 178.31 178.36 1til h ASP 92 N -0.85 0.39 -0.85 2.17 3.32 -0.82 -1.50 116.42 118.28 1til h ASP 92 Ca -0.01 -0.11 0.09 0.00 0.02 0.00 0.00 57.03 57.02 1til h ASP 92 Cb 0.63 -0.10 -0.07 0.00 0.22 0.00 0.00 39.33 40.01 1til h ASP 92 CO 0.01 0.39 0.50 -0.03 -1.72 0.00 0.00 179.24 178.39 1til h MET 93 N 0.36 0.81 0.00 3.56 4.05 -1.00 -0.06 114.93 122.65 1til h MET 93 Ca 0.10 -0.05 -0.05 0.00 -0.28 0.00 0.00 59.70 59.42 1til h MET 93 Cb 0.10 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 30.70 1til h MET 93 CO -0.01 0.54 -0.26 0.66 0.23 0.00 0.00 176.91 178.07 1til h SER 94 N 0.84 0.00 0.00 1.39 4.64 -1.28 -3.46 113.55 115.68 1til h SER 94 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1til h SER 94 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1til h SER 94 CO -0.24 0.26 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 1til n GLY 95 N 0.64 0.57 0.00 -0.77 0.00 -0.04 -4.76 105.19 100.83 1til n GLY 95 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.08 1til n GLY 95 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1til n LEU 96 N 0.00 0.00 -1.12 0.99 4.77 -1.26 -3.52 117.00 116.86 1til n LEU 96 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 1til n LEU 96 Cb 0.00 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.30 1til n LEU 96 CO 0.00 0.00 0.71 0.49 -1.33 0.00 0.00 177.39 177.26 1til n PHE 97 N -0.66 1.09 0.83 -1.77 3.01 -1.26 -4.13 117.46 114.57 1til n PHE 97 Ca 0.07 -1.48 0.12 0.00 1.01 0.00 0.00 57.45 57.18 1til n PHE 97 Cb 0.03 -0.47 0.29 0.00 -0.01 0.00 0.00 39.48 39.32 1til n PHE 97 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 1til n LYS 98 N -1.03 0.12 0.00 -1.08 2.85 -1.23 -4.15 118.16 113.64 1til n LYS 98 Ca 0.32 0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.62 1til n LYS 98 Cb 1.02 -1.58 0.00 0.00 -0.65 0.00 0.00 35.03 33.82 1til n LYS 98 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1til n ILE 99 N -1.76 0.00 -1.60 0.58 5.41 -1.26 -4.94 119.36 115.79 1til n ILE 99 Ca 0.05 0.27 -0.46 0.00 1.00 0.00 0.00 62.75 63.61 1til n ILE 99 Cb 0.38 -0.95 -0.03 0.00 -0.71 0.00 0.00 39.64 38.33 1til n ILE 99 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1til n ILE 100 N -1.54 1.32 -2.54 1.39 5.41 -1.26 -4.94 119.36 117.21 1til n ILE 100 Ca 0.00 -0.33 -0.41 0.00 1.00 0.00 0.00 62.75 63.01 1til n ILE 100 Cb 0.00 -1.01 -0.04 0.00 -0.71 0.00 0.00 39.64 37.88 1til n ILE 100 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 1til s ARG 101 N -0.83 4.59 -0.13 0.38 6.06 -1.18 -4.95 118.95 122.89 1til s ARG 101 Ca 0.67 1.68 0.01 0.00 -2.50 0.00 0.00 55.73 55.59 1til s ARG 101 Cb -0.76 -3.30 0.02 0.00 0.06 0.00 0.00 34.95 30.97 1til s ARG 101 CO 0.55 0.06 -0.16 0.08 -2.50 0.00 0.00 175.30 173.33 1til s VAL 102 N -0.06 1.61 0.45 7.11 1.01 -1.26 -0.64 120.40 128.62 1til s VAL 102 Ca 0.50 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.85 1til s VAL 102 Cb -0.28 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1til s VAL 102 CO 0.34 0.46 0.13 -1.61 0.00 0.00 0.00 175.10 174.42 1til s GLU 103 N 1.17 2.16 -0.09 2.72 0.41 0.16 -4.95 118.70 120.29 1til s GLU 103 Ca -0.02 -2.05 -0.19 0.00 -0.41 0.00 0.00 54.97 52.31 1til s GLU 103 Cb -0.14 -1.82 -0.16 0.00 -1.78 0.00 0.00 34.13 30.23 1til s GLU 103 CO -0.06 -0.22 0.64 0.00 -0.49 0.00 0.00 175.26 175.14 1til h ALA 104 N 1.40 -0.08 -2.00 5.21 0.00 -1.95 -3.21 119.26 118.63 1til h ALA 104 Ca -0.43 -0.28 -0.48 0.00 0.00 0.00 0.00 54.91 53.73 1til h ALA 104 Cb 1.27 0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.95 1til h ALA 104 CO 0.72 -0.12 -0.56 0.16 0.00 0.00 0.00 179.25 179.45 1til s ASP 105 N -5.77 2.18 0.49 0.00 1.47 -1.26 -1.50 116.67 112.28 1til s ASP 105 Ca -0.12 -1.53 0.14 0.00 1.18 0.00 0.00 52.55 52.22 1til s ASP 105 Cb -0.01 0.28 1.17 0.00 -0.34 0.00 0.00 42.92 44.02 1til s ASP 105 CO 0.45 -0.81 2.12 -0.08 0.68 0.00 0.00 175.17 177.53 1til h GLU 106 N 2.05 0.14 0.16 2.11 4.81 -1.93 -2.28 114.58 119.63 1til h GLU 106 Ca -0.37 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.85 1til h GLU 106 Cb 1.26 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1til h GLU 106 CO 0.59 0.09 -0.08 1.96 -0.73 0.00 0.00 179.01 180.85 1til h GLN 107 N 0.14 -0.21 -0.91 1.92 7.50 -1.98 -1.03 115.11 120.54 1til h GLN 107 Ca 0.05 0.01 0.05 0.00 0.50 0.00 0.00 58.65 59.26 1til h GLN 107 Cb 0.02 0.05 -0.06 0.00 0.05 0.00 0.00 27.48 27.55 1til h GLN 107 CO -0.01 0.10 0.59 0.74 -1.50 0.00 0.00 178.83 178.75 1til h PHE 108 N -0.54 1.07 0.50 2.96 -1.00 -1.90 0.41 116.94 118.44 1til h PHE 108 Ca -0.02 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 1til h PHE 108 Cb 0.41 -0.36 0.00 0.00 3.61 0.00 0.00 35.95 39.62 1til h PHE 108 CO 0.03 0.59 -0.24 0.00 -1.61 0.00 0.00 178.31 177.08 1til h ALA 109 N 1.49 -0.67 -0.75 2.45 0.00 -1.36 0.18 119.26 120.60 1til h ALA 109 Ca 0.38 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.19 1til h ALA 109 Cb 0.11 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 1til h ALA 109 CO -0.13 -0.74 0.40 -0.07 0.00 0.00 0.00 179.25 178.71 1til h LEU 110 N -0.94 0.55 -0.35 0.00 3.38 -0.91 -1.78 115.31 115.27 1til h LEU 110 Ca -0.07 0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1til h LEU 110 Cb 0.60 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1til h LEU 110 CO 0.11 0.32 0.15 -0.61 0.09 0.00 0.00 178.44 178.50 1til h GLN 111 N 0.68 0.31 0.00 1.13 4.15 -0.10 0.28 115.11 121.56 1til h GLN 111 Ca 0.36 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.76 1til h GLN 111 Cb 0.35 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.97 1til h GLN 111 CO -0.25 0.20 -0.03 0.00 -1.93 0.00 0.00 178.83 176.82 1til h ALA 112 N 1.20 1.22 0.00 3.38 0.00 -0.12 -1.24 119.26 123.71 1til h ALA 112 Ca 0.15 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.83 1til h ALA 112 Cb 0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1til h ALA 112 CO -0.13 0.04 -1.25 -0.07 0.00 0.00 0.00 179.25 177.84 1til h LEU 113 N 0.00 0.00 0.00 0.00 3.38 -0.48 -3.49 115.31 114.72 1til h LEU 113 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1til h LEU 113 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1til h LEU 113 CO 0.00 0.78 0.00 0.61 0.09 0.00 0.00 178.44 179.92 1til n GLY 114 N 1.40 2.17 0.00 0.83 0.00 -0.07 -5.02 105.19 104.51 1til n GLY 114 Ca -0.08 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1til n GLY 114 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1til n VAL 115 N 0.00 0.00 1.72 1.61 0.31 -1.08 -4.88 118.33 116.01 1til n VAL 115 Ca 0.00 1.21 0.15 0.00 -0.01 0.00 0.00 64.34 65.69 1til n VAL 115 Cb 0.00 -2.10 0.71 0.00 -0.91 0.00 0.00 33.84 31.54 1til n VAL 115 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51