#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2mta s PRO 2 N 0.00 2.31 0.32 0.00 0.02 -1.26 -4.98 135.00 131.42 2mta s PRO 2 Ca 0.00 0.23 0.00 0.00 0.02 0.00 0.00 61.00 61.25 2mta s PRO 2 Cb 0.00 -4.81 0.00 0.00 0.02 0.00 0.00 34.50 29.71 2mta s PRO 2 CO 0.00 -3.47 0.00 1.04 -0.33 0.00 0.00 177.00 174.24 2mta n GLN 3 N 8.93 0.00 -3.86 5.54 1.13 -1.26 -4.69 117.38 123.18 2mta n GLN 3 Ca 0.37 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 55.07 2mta n GLN 3 Cb 0.48 0.00 -0.13 0.00 0.11 0.00 0.00 30.24 30.70 2mta n GLN 3 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2mta s PHE 4 N 0.00 3.20 0.09 1.08 0.08 -1.26 -4.95 117.98 116.22 2mta s PHE 4 Ca 0.00 -1.56 0.04 0.00 0.12 0.00 0.00 56.93 55.53 2mta s PHE 4 Cb 0.00 -2.16 -0.03 0.00 -0.57 0.00 0.00 43.02 40.26 2mta s PHE 4 CO 0.00 -0.74 -0.12 -0.06 -0.10 0.00 0.00 175.22 174.21 2mta s PHE 5 N 1.34 1.12 0.21 0.36 0.08 -1.26 -1.95 117.98 117.88 2mta s PHE 5 Ca -0.02 -0.56 -0.31 0.00 0.12 0.00 0.00 56.93 56.15 2mta s PHE 5 Cb -0.19 -0.61 -0.11 0.00 -0.57 0.00 0.00 43.02 41.54 2mta s PHE 5 CO -0.00 0.03 1.60 1.21 -0.10 0.00 0.00 175.22 177.96 2mta s ASN 6 N -2.14 6.50 0.32 1.36 2.47 0.16 -4.76 114.94 118.85 2mta s ASN 6 Ca 0.02 2.75 0.14 0.00 0.42 0.00 0.00 52.86 56.18 2mta s ASN 6 Cb -0.06 -2.61 0.53 0.00 -1.45 0.00 0.00 41.25 37.66 2mta s ASN 6 CO 0.01 -0.87 1.69 0.16 -3.72 0.00 0.00 177.10 174.38 2mta h ILE 7 N 3.80 1.24 0.00 -5.21 3.07 -1.81 -3.36 117.51 115.24 2mta h ILE 7 Ca -0.44 -1.78 0.00 0.00 1.55 0.00 0.00 64.86 64.19 2mta h ILE 7 Cb 1.21 1.99 0.00 0.00 -0.27 0.00 0.00 36.82 39.75 2mta h ILE 7 CO 0.89 0.49 0.00 2.30 -1.05 0.00 0.00 178.15 180.78 2mta n ILE 8 N -3.77 0.00 0.00 0.16 -0.00 -1.26 -5.06 119.36 109.42 2mta n ILE 8 Ca -0.01 0.45 0.00 0.00 -0.00 0.00 0.00 62.75 63.19 2mta n ILE 8 Cb 0.54 -1.39 0.00 0.00 -0.00 0.00 0.00 39.64 38.79 2mta n ILE 8 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 2mta n ASP 9 N -2.13 0.00 -0.30 7.28 2.03 -1.26 -4.95 116.55 117.23 2mta n ASP 9 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2mta n ASP 9 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2mta n ASP 9 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2mta n GLY 10 N -0.05 0.88 0.00 0.27 0.00 -1.26 -5.06 105.19 99.97 2mta n GLY 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2mta n GLY 10 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2mta n SER 11 N 0.00 0.00 -4.67 1.61 7.64 -1.26 -4.89 113.62 112.05 2mta n SER 11 Ca 0.00 0.00 -0.46 0.00 1.01 0.00 0.00 58.87 59.42 2mta n SER 11 Cb 0.44 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.60 2mta n SER 11 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2mta n PRO 12 N 0.00 2.19 -2.28 1.43 -0.02 -1.26 0.40 135.00 135.46 2mta n PRO 12 Ca 0.00 0.79 -0.40 0.00 -2.02 0.00 0.00 63.50 61.86 2mta n PRO 12 Cb 0.00 -2.56 -0.03 0.00 -0.02 0.00 0.00 33.50 30.89 2mta n PRO 12 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2mta s LEU 13 N 0.85 4.48 -0.36 2.45 1.43 -0.82 -4.67 118.68 122.05 2mta s LEU 13 Ca 0.78 2.49 -0.10 0.00 -1.03 0.00 0.00 54.13 56.27 2mta s LEU 13 Cb -0.66 -3.64 0.02 0.00 0.03 0.00 0.00 46.19 41.94 2mta s LEU 13 CO 0.38 -0.35 0.19 0.21 0.23 0.00 0.00 176.35 177.00 2mta s ASN 14 N -0.66 5.65 0.00 2.29 3.84 -1.26 -4.90 114.94 119.90 2mta s ASN 14 Ca 0.47 -0.89 0.28 0.00 0.21 0.00 0.00 52.86 52.93 2mta s ASN 14 Cb -0.36 -2.01 1.42 0.00 -0.55 0.00 0.00 41.25 39.75 2mta s ASN 14 CO 0.47 -0.33 1.97 0.49 -2.79 0.00 0.00 177.10 176.91 2mta n PHE 15 N 4.98 0.00 0.61 0.43 3.01 -1.26 -2.32 117.46 122.91 2mta n PHE 15 Ca -0.12 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.41 2mta n PHE 15 Cb 0.47 -0.29 0.36 0.00 -0.01 0.00 0.00 39.48 40.00 2mta n PHE 15 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2mta n ASP 16 N -1.29 0.00 0.03 4.37 8.00 -1.26 -2.43 116.55 123.96 2mta n ASP 16 Ca 0.13 0.39 0.12 0.00 0.71 0.00 0.00 54.79 56.14 2mta n ASP 16 Cb 0.23 -0.45 0.12 0.00 -0.02 0.00 0.00 41.12 41.00 2mta n ASP 16 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2mta n ASP 17 N -1.45 0.63 -4.75 -2.24 8.00 -0.98 -4.95 116.55 110.81 2mta n ASP 17 Ca 0.05 -0.12 -0.35 0.00 0.71 0.00 0.00 54.79 55.08 2mta n ASP 17 Cb 0.17 0.45 0.04 0.00 -0.02 0.00 0.00 41.12 41.77 2mta n ASP 17 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2mta s ALA 18 N -3.14 2.46 0.38 2.24 0.00 -1.02 -4.85 121.76 117.84 2mta s ALA 18 Ca 0.06 0.91 -0.27 0.00 0.00 0.00 0.00 51.96 52.66 2mta s ALA 18 Cb 0.15 -3.43 -0.10 0.00 0.00 0.00 0.00 23.12 19.74 2mta s ALA 18 CO 0.75 -1.28 1.34 -1.64 0.00 0.00 0.00 175.76 174.93 2mta s MET 19 N -3.54 4.09 0.46 0.00 -1.94 -1.26 -4.93 119.30 112.18 2mta s MET 19 Ca 0.75 2.27 0.25 0.00 -1.71 0.00 0.00 55.69 57.25 2mta s MET 19 Cb -0.28 -2.88 0.56 0.00 2.01 0.00 0.00 34.83 34.23 2mta s MET 19 CO 0.36 -0.43 1.69 1.05 -0.01 0.00 0.00 175.02 177.68 2mta h GLU 20 N 2.92 0.00 0.00 2.03 9.09 -1.98 -3.34 114.58 123.31 2mta h GLU 20 Ca -0.50 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.91 2mta h GLU 20 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.34 2mta h GLU 20 CO 0.64 0.02 0.11 0.39 0.05 0.00 0.00 179.01 180.22 2mta n GLU 21 N -3.11 0.00 -1.00 1.06 4.71 -1.26 -2.53 120.64 118.51 2mta n GLU 21 Ca 0.03 0.11 -0.06 0.00 -0.01 0.00 0.00 57.16 57.23 2mta n GLU 21 Cb 0.49 -1.61 -0.05 0.00 -1.01 0.00 0.00 31.44 29.25 2mta n GLU 21 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2mta n GLY 22 N -0.97 0.42 1.12 0.62 0.00 -1.25 -4.96 105.19 100.18 2mta n GLY 22 Ca 0.00 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2mta n GLY 22 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2mta n ARG 23 N -0.06 2.44 0.08 1.61 1.85 -1.05 -3.24 116.66 118.30 2mta n ARG 23 Ca -0.24 -2.21 -0.05 0.00 -1.00 0.00 0.00 57.85 54.35 2mta n ARG 23 Cb 0.65 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.48 2mta n ARG 23 CO 0.00 0.00 0.00 0.38 -0.01 0.00 0.00 177.63 178.00 2mta h ASP 24 N 4.01 0.00 -3.45 2.89 3.04 -1.93 -3.42 116.42 117.56 2mta h ASP 24 Ca 0.00 0.00 -0.44 0.00 -3.24 0.00 0.00 57.03 53.35 2mta h ASP 24 Cb 0.90 0.00 0.19 0.00 -1.04 0.00 0.00 39.33 39.38 2mta h ASP 24 CO 0.00 0.88 0.07 0.42 -2.04 0.00 0.00 179.24 178.57 2mta s THR 25 N -2.81 2.01 0.12 1.15 -4.23 -1.26 -4.75 115.64 105.87 2mta s THR 25 Ca 0.01 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.40 2mta s THR 25 Cb 0.10 -2.21 -0.07 0.00 1.34 0.00 0.00 72.50 71.65 2mta s THR 25 CO 0.80 -0.01 1.43 -0.33 -0.54 0.00 0.00 174.62 175.98 2mta h GLU 26 N -2.41 0.82 0.24 3.99 4.39 -1.98 -0.19 114.58 119.44 2mta h GLU 26 Ca -0.60 -0.45 0.01 0.00 0.34 0.00 0.00 59.36 58.66 2mta h GLU 26 Cb 1.34 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.98 2mta h GLU 26 CO 0.53 1.09 -0.36 0.00 -1.16 0.00 0.00 179.01 179.11 2mta h ALA 27 N 0.72 -0.71 -0.49 3.43 0.00 -1.98 0.45 119.26 120.69 2mta h ALA 27 Ca 0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2mta h ALA 27 Cb 0.96 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 2mta h ALA 27 CO 0.09 -0.95 0.29 0.28 0.00 0.00 0.00 179.25 178.97 2mta h VAL 28 N -0.67 1.15 -0.31 0.00 2.07 -1.88 0.13 116.25 116.74 2mta h VAL 28 Ca 0.00 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.19 2mta h VAL 28 Cb 0.65 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 2mta h VAL 28 CO -0.14 0.15 0.17 0.11 0.02 0.00 0.00 177.57 177.89 2mta h LYS 29 N 0.65 0.34 -0.05 1.57 1.57 -0.68 -0.06 116.57 119.92 2mta h LYS 29 Ca 0.18 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2mta h LYS 29 Cb -0.01 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 2mta h LYS 29 CO -0.03 0.23 0.03 1.25 -0.57 0.00 0.00 179.45 180.36 2mta h HIS 30 N 0.35 0.07 -0.62 -1.35 2.76 0.25 -2.10 115.15 114.52 2mta h HIS 30 Ca 0.13 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.25 2mta h HIS 30 Cb 0.02 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 28.93 2mta h HIS 30 CO -0.08 0.07 0.22 0.35 -1.30 0.00 0.00 177.93 177.19 2mta h PHE 31 N 0.04 0.97 0.00 5.26 3.57 -0.59 0.06 116.94 126.25 2mta h PHE 31 Ca 0.02 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 2mta h PHE 31 Cb 0.03 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.48 2mta h PHE 31 CO -0.06 0.79 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.62 2mta h LEU 32 N 0.87 0.00 0.00 0.59 3.38 -0.65 0.91 115.31 120.42 2mta h LEU 32 Ca 0.20 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.86 2mta h LEU 32 Cb 0.25 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 2mta h LEU 32 CO -0.01 0.11 -2.01 -1.84 0.09 0.00 0.00 178.44 174.78 2mta n GLU 33 N -3.45 0.66 -0.00 1.13 0.28 -0.82 -4.62 120.64 113.81 2mta n GLU 33 Ca -0.01 0.14 0.02 0.00 -0.16 0.00 0.00 57.16 57.15 2mta n GLU 33 Cb 0.27 -1.66 -0.04 0.00 1.43 0.00 0.00 31.44 31.44 2mta n GLU 33 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2mta n THR 34 N -2.88 0.00 -1.00 3.84 -1.04 -0.03 -5.01 114.28 108.16 2mta n THR 34 Ca -0.23 -0.12 -0.00 0.00 -2.04 0.00 0.00 64.05 61.66 2mta n THR 34 Cb 1.07 0.40 -0.00 0.00 -1.82 0.00 0.00 70.33 69.98 2mta n THR 34 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2mta n GLY 35 N 2.20 0.42 3.43 3.41 0.00 0.31 -5.01 105.19 109.95 2mta n GLY 35 Ca -0.01 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 2mta n GLY 35 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2mta s GLU 36 N -1.46 2.94 -0.39 1.61 2.12 -1.26 -4.24 118.70 118.02 2mta s GLU 36 Ca 0.00 -0.69 -0.09 0.00 0.36 0.00 0.00 54.97 54.56 2mta s GLU 36 Cb 0.00 -2.51 0.06 0.00 0.26 0.00 0.00 34.13 31.95 2mta s GLU 36 CO 0.00 0.42 0.21 1.21 -0.54 0.00 0.00 175.26 176.56 2mta s ASN 37 N -0.20 5.56 0.29 -1.70 2.47 -1.26 -3.44 114.94 116.66 2mta s ASN 37 Ca 0.00 -1.36 0.22 0.00 0.42 0.00 0.00 52.86 52.14 2mta s ASN 37 Cb -0.13 -1.96 1.06 0.00 -1.45 0.00 0.00 41.25 38.77 2mta s ASN 37 CO 0.03 -0.46 1.66 1.33 -3.72 0.00 0.00 177.10 175.93 2mta n VAL 38 N 4.89 1.00 0.85 -5.21 0.24 -1.26 -2.58 118.33 116.25 2mta n VAL 38 Ca -0.11 0.55 0.11 0.00 -2.04 0.00 0.00 64.34 62.85 2mta n VAL 38 Cb 0.44 -1.52 0.51 0.00 -1.47 0.00 0.00 33.84 31.80 2mta n VAL 38 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2mta n TYR 39 N -2.22 0.00 -1.98 6.34 4.01 -1.26 -4.62 117.16 117.43 2mta n TYR 39 Ca -0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 2mta n TYR 39 Cb 0.10 -0.46 -0.03 0.00 -0.31 0.00 0.00 39.34 38.65 2mta n TYR 39 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 2mta s ASN 40 N -2.92 6.64 -1.54 7.72 0.01 -1.07 -0.95 114.94 122.84 2mta s ASN 40 Ca 0.13 2.48 0.00 0.00 -0.71 0.00 0.00 52.86 54.76 2mta s ASN 40 Cb 0.15 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.24 2mta s ASN 40 CO 0.41 -0.83 0.00 -0.62 -1.51 0.00 0.00 177.10 174.55 2mta n GLU 41 N 4.84 -1.63 -2.27 -0.60 -0.58 -1.26 -4.93 120.64 114.21 2mta n GLU 41 Ca 0.14 1.01 -0.41 0.00 -0.42 0.00 0.00 57.16 57.48 2mta n GLU 41 Cb 0.40 -5.44 -0.03 0.00 -0.57 0.00 0.00 31.44 25.81 2mta n GLU 41 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2mta s ASP 42 N -2.54 5.96 0.61 1.62 2.15 -0.12 -4.87 116.67 119.47 2mta s ASP 42 Ca 0.00 0.46 0.33 0.00 0.43 0.00 0.00 52.55 53.77 2mta s ASP 42 Cb 0.00 -2.54 1.94 0.00 -0.30 0.00 0.00 42.92 42.02 2mta s ASP 42 CO 0.00 -1.81 2.26 -0.65 -0.17 0.00 0.00 175.17 174.80 2mta h PRO 43 N 11.97 0.00 -0.26 4.34 0.11 -1.91 0.23 132.00 146.48 2mta h PRO 43 Ca -0.28 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.83 2mta h PRO 43 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2mta h PRO 43 CO 1.16 0.00 0.15 0.93 -0.21 0.00 0.00 178.00 180.03 2mta h GLU 44 N 0.00 0.35 0.23 1.05 5.08 -1.97 -3.30 114.58 116.01 2mta h GLU 44 Ca 0.01 -0.03 -0.32 0.00 -1.00 0.00 0.00 59.36 58.01 2mta h GLU 44 Cb 0.06 -0.07 0.04 0.00 0.50 0.00 0.00 28.75 29.27 2mta h GLU 44 CO -0.00 0.28 -1.41 0.82 -1.00 0.00 0.00 179.01 177.71 2mta h ILE 45 N 0.32 1.29 -0.30 3.13 5.03 -0.92 -3.40 117.51 122.67 2mta h ILE 45 Ca 0.09 -2.64 0.09 0.00 -0.12 0.00 0.00 64.86 62.28 2mta h ILE 45 Cb 0.02 2.98 -0.01 0.00 -3.03 0.00 0.00 36.82 36.78 2mta h ILE 45 CO -0.02 0.79 0.33 -0.07 -0.68 0.00 0.00 178.15 178.51 2mta h LEU 46 N 0.15 0.00 -0.22 1.44 3.38 -1.46 0.13 115.31 118.73 2mta h LEU 46 Ca -0.24 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.53 2mta h LEU 46 Cb 2.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.83 2mta h LEU 46 CO 0.27 0.00 -0.92 -0.65 0.09 0.00 0.00 178.44 177.23 2mta h PRO 47 N 0.00 0.11 -0.07 1.13 0.11 -1.77 -2.77 132.00 128.74 2mta h PRO 47 Ca 0.14 -0.13 -0.03 0.00 0.11 0.00 0.00 66.00 66.09 2mta h PRO 47 Cb 0.81 0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 2mta h PRO 47 CO -0.00 0.94 -0.07 0.93 -0.21 0.00 0.00 178.00 179.60 2mta h GLU 48 N 0.05 0.17 -0.68 1.05 3.07 -1.03 -3.25 114.58 113.95 2mta h GLU 48 Ca -0.04 -0.09 0.13 0.00 -0.50 0.00 0.00 59.36 58.86 2mta h GLU 48 Cb 1.58 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 29.36 2mta h GLU 48 CO 0.13 0.60 -0.28 0.00 -1.40 0.00 0.00 179.01 178.06 2mta h ALA 49 N 0.56 0.18 -0.58 3.43 0.00 -1.46 0.26 119.26 121.66 2mta h ALA 49 Ca 0.01 0.22 0.12 0.00 0.00 0.00 0.00 54.91 55.26 2mta h ALA 49 Cb 0.57 0.72 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 2mta h ALA 49 CO 0.02 -0.57 0.40 1.49 0.00 0.00 0.00 179.25 180.58 2mta h GLU 50 N -0.09 0.26 0.05 0.00 4.81 -1.56 -0.23 114.58 117.83 2mta h GLU 50 Ca 0.29 -0.02 -0.27 0.00 -0.13 0.00 0.00 59.36 59.23 2mta h GLU 50 Cb 0.55 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 2mta h GLU 50 CO -0.74 0.17 -1.41 1.49 -0.73 0.00 0.00 179.01 177.79 2mta h GLU 51 N 0.27 0.11 -0.48 1.92 4.57 -0.62 -2.12 114.58 118.24 2mta h GLU 51 Ca 0.27 -0.20 -0.00 0.00 -1.18 0.00 0.00 59.36 58.26 2mta h GLU 51 Cb 0.71 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.35 2mta h GLU 51 CO -0.06 0.93 0.29 -0.07 -1.18 0.00 0.00 179.01 178.92 2mta h LEU 52 N 0.03 0.58 0.66 1.64 4.07 0.07 -1.59 115.31 120.77 2mta h LEU 52 Ca -0.18 -0.06 -0.03 0.00 0.08 0.00 0.00 57.88 57.69 2mta h LEU 52 Cb 1.94 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 43.53 2mta h LEU 52 CO 0.13 0.47 -0.38 0.22 -1.08 0.00 0.00 178.44 177.80 2mta h TYR 53 N 0.64 -1.01 -0.66 1.13 3.20 -1.12 -1.54 116.97 117.60 2mta h TYR 53 Ca 0.17 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.13 2mta h TYR 53 Cb 0.00 0.36 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 2mta h TYR 53 CO -0.03 -0.59 0.44 0.00 -1.64 0.00 0.00 178.16 176.34 2mta h ALA 54 N -0.70 1.95 -0.03 1.82 0.00 -1.30 0.36 119.26 121.36 2mta h ALA 54 Ca -0.08 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.60 2mta h ALA 54 Cb 0.78 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2mta h ALA 54 CO 0.10 -0.10 -0.88 0.78 0.00 0.00 0.00 179.25 179.16 2mta h GLY 55 N 0.50 0.51 0.00 0.00 0.00 -0.88 -3.38 103.07 99.81 2mta h GLY 55 Ca 0.31 -0.82 0.00 0.00 0.00 0.00 0.00 47.33 46.81 2mta h GLY 55 CO -0.10 0.73 -0.96 1.03 0.00 0.00 0.00 176.54 177.24 2mta n MET 56 N -3.79 2.00 0.00 4.80 2.81 -0.62 -4.83 117.12 117.48 2mta n MET 56 Ca -0.06 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.78 2mta n MET 56 Cb 0.80 -1.15 0.00 0.00 -0.71 0.00 0.00 33.22 32.15 2mta n MET 56 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2mta h SER 58 N 0.00 0.00 -0.09 0.00 4.64 -1.69 -1.87 113.55 114.54 2mta h SER 58 Ca 0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 2mta h SER 58 Cb 0.50 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.57 2mta h SER 58 CO 0.00 0.00 -0.02 1.23 -0.87 0.00 0.00 176.83 177.17 2mta h GLY 59 N 0.00 0.07 0.32 -0.77 0.00 -1.84 0.47 103.07 101.32 2mta h GLY 59 Ca 0.00 0.02 -0.36 0.00 0.00 0.00 0.00 47.33 47.00 2mta h GLY 59 CO 0.00 -0.03 -2.01 0.00 0.00 0.00 0.00 176.54 174.50 2mta n HIS 61 N -3.67 0.00 -0.03 0.00 -0.00 -0.72 -1.33 115.22 109.47 2mta n HIS 61 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.36 2mta n HIS 61 Cb 0.96 -0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.94 2mta n HIS 61 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2mta n GLY 62 N 1.24 -2.20 0.12 -1.41 0.00 0.16 -0.29 105.19 102.81 2mta n GLY 62 Ca 0.17 -1.47 -0.10 0.00 0.00 0.00 0.00 46.02 44.62 2mta n GLY 62 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2mta h HIS 63 N -0.03 -0.18 -0.76 1.61 -0.00 -1.92 -1.98 115.15 111.90 2mta h HIS 63 Ca -0.00 0.01 -0.40 0.00 -0.00 0.00 0.00 60.37 59.98 2mta h HIS 63 Cb 0.03 0.10 -0.24 0.00 -0.00 0.00 0.00 27.41 27.30 2mta h HIS 63 CO 0.00 -0.12 0.37 0.66 -0.00 0.00 0.00 177.93 178.84 2mta n TYR 64 N -5.21 2.34 -3.99 5.26 4.01 -1.26 -4.92 117.16 113.39 2mta n TYR 64 Ca -0.04 -1.81 -0.32 0.00 -0.16 0.00 0.00 57.90 55.57 2mta n TYR 64 Cb 0.14 -0.79 -0.03 0.00 -0.31 0.00 0.00 39.34 38.34 2mta n TYR 64 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2mta n ALA 65 N -1.13 -1.18 0.69 -0.72 0.00 -0.74 -4.77 120.51 112.66 2mta n ALA 65 Ca 0.50 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 54.03 2mta n ALA 65 Cb 1.40 -2.91 0.14 0.00 0.00 0.00 0.00 19.45 18.08 2mta n ALA 65 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2mta n GLU 66 N -4.02 0.21 0.00 0.00 0.00 -1.09 -0.54 120.64 115.20 2mta n GLU 66 Ca 0.06 0.03 0.00 0.00 0.00 0.00 0.00 57.16 57.26 2mta n GLU 66 Cb 0.49 -1.60 0.00 0.00 0.00 0.00 0.00 31.44 30.33 2mta n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2mta n GLY 67 N 1.39 3.29 0.00 -1.84 0.00 0.61 -4.06 105.19 104.57 2mta n GLY 67 Ca 0.03 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.34 2mta n GLY 67 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2mta n LYS 68 N -0.52 0.00 -0.08 1.61 4.81 -1.06 -4.38 118.16 118.53 2mta n LYS 68 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 2mta n LYS 68 Cb 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.03 2mta n LYS 68 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2mta h ILE 69 N 0.00 1.06 -5.76 3.15 5.03 -1.45 -3.44 117.51 116.10 2mta h ILE 69 Ca 0.00 -0.13 -0.47 0.00 -0.12 0.00 0.00 64.86 64.14 2mta h ILE 69 Cb 0.00 0.64 -0.02 0.00 -3.03 0.00 0.00 36.82 34.41 2mta h ILE 69 CO 0.00 0.07 -0.18 0.61 -0.68 0.00 0.00 178.15 177.97 2mta n GLY 70 N -1.18 2.55 3.81 5.37 0.00 -0.71 -5.04 105.19 109.99 2mta n GLY 70 Ca -0.01 -2.26 -0.30 0.00 0.00 0.00 0.00 46.02 43.45 2mta n GLY 70 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2mta s PRO 71 N -4.01 1.91 0.36 1.61 0.04 -1.26 -4.59 135.00 129.05 2mta s PRO 71 Ca 0.34 0.54 -0.26 0.00 0.04 0.00 0.00 61.00 61.66 2mta s PRO 71 Cb -0.03 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.52 2mta s PRO 71 CO 0.21 -1.72 1.05 0.20 0.04 0.00 0.00 177.00 176.79 2mta s GLY 72 N -3.96 2.85 0.00 0.56 0.00 -1.26 -4.26 107.32 101.25 2mta s GLY 72 Ca 0.61 0.74 0.09 0.00 0.00 0.00 0.00 44.72 46.17 2mta s GLY 72 CO 0.54 1.23 1.14 1.04 0.00 0.00 0.00 173.10 177.05 2mta n LEU 73 N 0.38 2.62 -1.82 0.66 4.32 0.30 -4.85 117.00 118.61 2mta n LEU 73 Ca 0.03 -1.82 -0.03 0.00 -0.02 0.00 0.00 56.01 54.17 2mta n LEU 73 Cb 0.48 -0.16 0.30 0.00 -1.62 0.00 0.00 43.42 42.42 2mta n LEU 73 CO 0.48 0.64 0.97 -0.46 -1.22 0.00 0.00 177.39 177.79 2mta n ASN 74 N 0.40 4.68 -1.19 -1.43 6.94 -0.81 -4.83 115.26 119.02 2mta n ASN 74 Ca 0.09 -3.22 -0.01 0.00 -0.02 0.00 0.00 54.58 51.42 2mta n ASN 74 Cb 0.37 -0.71 -0.00 0.00 -2.36 0.00 0.00 39.78 37.08 2mta n ASN 74 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 2mta n ASP 75 N -0.19 -0.14 -0.26 0.53 5.68 -1.26 -1.48 116.55 119.43 2mta n ASP 75 Ca 0.37 -1.18 0.09 0.00 -0.50 0.00 0.00 54.79 53.58 2mta n ASP 75 Cb 1.30 0.25 0.43 0.00 -1.14 0.00 0.00 41.12 41.97 2mta n ASP 75 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2mta n ALA 76 N -2.78 2.56 -2.78 2.12 0.00 -1.26 -4.75 120.51 113.61 2mta n ALA 76 Ca -0.01 -0.30 -0.35 0.00 0.00 0.00 0.00 53.44 52.77 2mta n ALA 76 Cb 0.06 -1.18 -0.09 0.00 0.00 0.00 0.00 19.45 18.23 2mta n ALA 76 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2mta s TYR 77 N -1.89 3.33 -0.11 0.00 5.04 -1.26 -5.05 117.35 117.42 2mta s TYR 77 Ca 0.28 0.21 0.01 0.00 -2.44 0.00 0.00 57.07 55.13 2mta s TYR 77 Cb 0.14 -2.10 0.02 0.00 0.35 0.00 0.00 41.96 40.37 2mta s TYR 77 CO 0.22 0.25 -0.11 -1.58 -1.34 0.00 0.00 175.55 172.99 2mta s TRP 78 N 0.28 1.64 0.48 4.97 0.51 -1.26 -4.95 118.94 120.60 2mta s TRP 78 Ca 0.06 -0.78 0.20 0.00 -2.12 0.00 0.00 56.10 53.46 2mta s TRP 78 Cb -0.12 -1.27 1.21 0.00 -0.81 0.00 0.00 33.47 32.48 2mta s TRP 78 CO -0.01 -0.47 1.96 1.15 -0.51 0.00 0.00 176.95 179.07 2mta h THR 79 N 6.08 0.77 -3.41 2.01 2.02 -1.97 -3.30 112.91 115.12 2mta h THR 79 Ca -0.32 -0.08 -0.66 0.00 0.77 0.00 0.00 66.41 66.12 2mta h THR 79 Cb 1.15 0.53 -0.29 0.00 -1.74 0.00 0.00 68.15 67.80 2mta h THR 79 CO 0.45 0.04 -0.73 -0.31 0.37 0.00 0.00 175.52 175.34 2mta s TYR 80 N -5.22 2.98 0.38 3.16 2.02 -1.26 -5.00 117.35 114.40 2mta s TYR 80 Ca -0.07 -1.13 0.07 0.00 -0.37 0.00 0.00 57.07 55.57 2mta s TYR 80 Cb 0.20 -2.09 0.80 0.00 -0.40 0.00 0.00 41.96 40.47 2mta s TYR 80 CO 0.75 -0.61 1.99 -1.35 -1.57 0.00 0.00 175.55 174.75 2mta h PRO 81 N 8.09 0.66 -0.68 -1.71 0.11 -2.02 -2.67 132.00 133.77 2mta h PRO 81 Ca -0.39 -0.04 0.20 0.00 0.11 0.00 0.00 66.00 65.88 2mta h PRO 81 Cb 1.14 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 2mta h PRO 81 CO 0.60 0.43 0.52 0.78 -0.21 0.00 0.00 178.00 180.13 2mta h GLY 82 N 0.68 0.00 0.94 -0.55 0.00 -1.94 -2.52 103.07 99.67 2mta h GLY 82 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 2mta h GLY 82 CO -0.08 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.16 2mta n ASN 83 N -4.19 0.00 0.27 0.19 3.02 -1.01 -1.25 115.26 112.30 2mta n ASN 83 Ca 0.13 -0.44 0.16 0.00 -0.03 0.00 0.00 54.58 54.40 2mta n ASN 83 Cb 0.78 0.00 0.76 0.00 -0.61 0.00 0.00 39.78 40.71 2mta n ASN 83 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2mta h GLU 84 N 0.00 0.00 -6.22 3.52 4.57 -1.70 -3.42 114.58 111.34 2mta h GLU 84 Ca 0.00 0.00 -0.54 0.00 -1.18 0.00 0.00 59.36 57.64 2mta h GLU 84 Cb 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.52 2mta h GLU 84 CO 0.00 0.08 -0.58 0.95 -1.18 0.00 0.00 179.01 178.28 2mta s THR 85 N -3.92 4.10 0.13 0.32 -4.23 -0.38 -4.26 115.64 107.40 2mta s THR 85 Ca -0.01 -1.50 -0.06 0.00 -1.18 0.00 0.00 61.69 58.94 2mta s THR 85 Cb 0.11 -3.17 -0.16 0.00 1.34 0.00 0.00 72.50 70.62 2mta s THR 85 CO 0.55 -0.29 1.32 0.44 -0.54 0.00 0.00 174.62 176.10 2mta h ASP 86 N 1.88 0.62 -0.52 3.99 3.32 -1.83 0.51 116.42 124.39 2mta h ASP 86 Ca -0.47 -0.46 0.09 0.00 0.02 0.00 0.00 57.03 56.21 2mta h ASP 86 Cb 1.23 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 40.52 2mta h ASP 86 CO 0.61 1.24 0.13 0.58 -1.72 0.00 0.00 179.24 180.08 2mta h VAL 87 N 0.30 0.73 -0.21 -1.35 2.07 -1.89 0.13 116.25 116.04 2mta h VAL 87 Ca -0.07 -0.10 -0.12 0.00 0.82 0.00 0.00 66.70 67.23 2mta h VAL 87 Cb 1.50 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 2mta h VAL 87 CO 0.16 0.05 -0.34 1.23 0.02 0.00 0.00 177.57 178.69 2mta h GLY 88 N 0.28 0.66 1.00 2.17 0.00 -1.63 -0.26 103.07 105.28 2mta h GLY 88 Ca 0.26 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2mta h GLY 88 CO -0.32 0.67 0.34 -2.00 0.00 0.00 0.00 176.54 175.23 2mta h LEU 89 N 0.29 0.65 -0.26 3.11 6.46 -0.39 0.16 115.31 125.33 2mta h LEU 89 Ca 0.02 -0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.78 2mta h LEU 89 Cb 0.93 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 40.66 2mta h LEU 89 CO 0.08 0.50 0.03 0.15 -0.62 0.00 0.00 178.44 178.57 2mta h PHE 90 N 0.74 0.04 -0.58 1.25 3.57 -0.74 -1.38 116.94 119.83 2mta h PHE 90 Ca 0.20 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.74 2mta h PHE 90 Cb -0.04 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 2mta h PHE 90 CO -0.03 -0.01 0.38 0.77 -2.23 0.00 0.00 178.31 177.20 2mta h SER 91 N 0.12 0.62 -0.60 0.41 0.02 -0.01 0.21 113.55 114.31 2mta h SER 91 Ca 0.12 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.97 2mta h SER 91 Cb 0.15 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 2mta h SER 91 CO -0.19 0.44 0.02 0.74 -1.14 0.00 0.00 176.83 176.71 2mta h THR 92 N 0.73 1.26 0.06 -2.27 2.02 0.06 -1.99 112.91 112.78 2mta h THR 92 Ca 0.22 -1.11 -0.26 0.00 0.77 0.00 0.00 66.41 66.03 2mta h THR 92 Cb 0.00 0.80 0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2mta h THR 92 CO -0.06 0.41 -1.09 -0.07 0.37 0.00 0.00 175.52 175.08 2mta h LEU 93 N 0.94 0.65 0.13 2.58 3.38 -0.50 0.12 115.31 122.61 2mta h LEU 93 Ca 0.17 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 2mta h LEU 93 Cb 0.53 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2mta h LEU 93 CO 0.03 1.39 -0.06 0.22 0.09 0.00 0.00 178.44 180.11 2mta h TYR 94 N 0.23 -0.16 0.22 1.13 3.20 -0.55 0.87 116.97 121.91 2mta h TYR 94 Ca -0.13 -0.00 -0.32 0.00 3.14 0.00 0.00 58.73 61.42 2mta h TYR 94 Cb 1.76 0.05 0.03 0.00 1.54 0.00 0.00 36.73 40.11 2mta h TYR 94 CO 0.08 0.28 -1.41 0.78 -1.64 0.00 0.00 178.16 176.25 2mta h GLY 95 N -0.68 0.58 0.00 1.82 0.00 -1.48 -2.75 103.07 100.55 2mta h GLY 95 Ca -0.02 -1.44 0.00 0.00 0.00 0.00 0.00 47.33 45.87 2mta h GLY 95 CO 0.03 1.26 0.00 0.61 0.00 0.00 0.00 176.54 178.44 2mta n GLY 96 N 1.64 0.94 0.00 4.60 0.00 0.40 -3.96 105.19 108.81 2mta n GLY 96 Ca -0.15 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.02 2mta n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2mta n ALA 97 N 1.11 0.00 -2.46 4.61 0.00 -0.80 -4.38 120.51 118.58 2mta n ALA 97 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 2mta n ALA 97 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2mta n ALA 97 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2mta s THR 98 N 3.85 1.80 0.00 0.00 -4.23 -1.25 -4.85 115.64 110.97 2mta s THR 98 Ca 0.00 -2.14 0.00 0.00 -1.18 0.00 0.00 61.69 58.37 2mta s THR 98 Cb 0.00 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.31 2mta s THR 98 CO 0.00 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.43 2mta n GLY 99 N -0.65 1.07 0.19 3.99 0.00 -1.26 -2.39 105.19 106.13 2mta n GLY 99 Ca -0.05 -0.74 0.10 0.00 0.00 0.00 0.00 46.02 45.33 2mta n GLY 99 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2mta n GLN 100 N 12.53 1.25 -3.33 1.61 6.02 -1.26 -4.22 117.38 129.98 2mta n GLN 100 Ca 0.00 -0.37 -0.45 0.00 -0.01 0.00 0.00 57.00 56.17 2mta n GLN 100 Cb 0.00 -1.35 -0.00 0.00 1.02 0.00 0.00 30.24 29.91 2mta n GLN 100 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 2mta s MET 101 N -1.94 4.09 0.33 -1.09 1.75 -1.01 -5.05 119.30 116.38 2mta s MET 101 Ca 0.31 -3.07 0.00 0.00 -1.25 0.00 0.00 55.69 51.68 2mta s MET 101 Cb 0.15 -4.55 0.06 0.00 2.84 0.00 0.00 34.83 33.34 2mta s MET 101 CO 0.25 -1.26 0.45 0.41 -0.65 0.00 0.00 175.02 174.21 2mta n GLY 102 N 2.96 0.79 3.77 2.11 0.00 -1.26 -1.91 105.19 111.65 2mta n GLY 102 Ca 0.22 -2.00 -0.40 0.00 0.00 0.00 0.00 46.02 43.84 2mta n GLY 102 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2mta s PRO 103 N -3.59 4.02 0.00 1.61 0.04 -1.25 -4.22 135.00 131.61 2mta s PRO 103 Ca 0.30 2.28 0.12 0.00 0.04 0.00 0.00 61.00 63.74 2mta s PRO 103 Cb -0.02 -2.84 0.15 0.00 0.04 0.00 0.00 34.50 31.83 2mta s PRO 103 CO 0.20 -0.49 0.98 -0.12 0.04 0.00 0.00 177.00 177.60 2mta n MET 104 N 0.26 1.18 0.15 4.56 1.56 0.30 -4.53 117.12 120.62 2mta n MET 104 Ca 0.03 -1.43 0.11 0.00 -0.27 0.00 0.00 57.70 56.14 2mta n MET 104 Cb 0.42 -1.25 0.56 0.00 2.15 0.00 0.00 33.22 35.10 2mta n MET 104 CO 0.00 0.00 0.00 -2.67 -0.73 0.00 0.00 175.97 172.57 2mta n TRP 105 N 0.68 0.74 1.28 1.12 4.27 -1.25 -2.32 117.44 121.97 2mta n TRP 105 Ca 0.08 0.36 0.13 0.00 -3.89 0.00 0.00 57.50 54.19 2mta n TRP 105 Cb 0.34 -1.08 0.34 0.00 -1.36 0.00 0.00 31.31 29.55 2mta n TRP 105 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2mta n GLY 106 N -1.03 0.40 0.00 -1.67 0.00 -1.26 -3.86 105.19 97.77 2mta n GLY 106 Ca -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2mta n GLY 106 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2mta n SER 107 N 0.64 0.56 -3.91 1.61 7.64 -0.98 -5.08 113.62 114.10 2mta n SER 107 Ca 0.17 -0.36 -0.16 0.00 1.01 0.00 0.00 58.87 59.53 2mta n SER 107 Cb 0.46 0.84 -0.15 0.00 -1.01 0.00 0.00 64.21 64.35 2mta n SER 107 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2mta s LEU 108 N -1.79 1.81 0.60 -3.43 1.02 -1.09 -5.12 118.68 110.68 2mta s LEU 108 Ca 0.00 -0.07 -0.14 0.00 0.02 0.00 0.00 54.13 53.94 2mta s LEU 108 Cb 0.00 -0.22 -0.04 0.00 0.02 0.00 0.00 46.19 45.95 2mta s LEU 108 CO 0.00 0.01 1.04 0.42 0.02 0.00 0.00 176.35 177.84 2mta s THR 109 N 0.18 4.10 0.32 5.49 -4.23 -1.26 -4.62 115.64 115.62 2mta s THR 109 Ca -0.02 0.89 0.08 0.00 -1.18 0.00 0.00 61.69 61.47 2mta s THR 109 Cb -0.05 -3.50 0.31 0.00 1.34 0.00 0.00 72.50 70.60 2mta s THR 109 CO -0.00 -0.68 1.77 -0.07 -0.54 0.00 0.00 174.62 175.09 2mta h LEU 110 N 0.21 0.73 -0.52 4.79 4.07 -1.85 0.00 115.31 122.74 2mta h LEU 110 Ca -0.46 0.11 -0.14 0.00 0.08 0.00 0.00 57.88 57.47 2mta h LEU 110 Cb 1.21 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.91 2mta h LEU 110 CO 0.59 0.22 -0.65 -0.78 -1.08 0.00 0.00 178.44 176.73 2mta h ASP 111 N 0.68 0.00 0.08 -0.43 3.58 -1.92 -2.43 116.42 115.98 2mta h ASP 111 Ca 0.60 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.94 2mta h ASP 111 Cb 1.03 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.07 2mta h ASP 111 CO -0.40 0.65 -0.34 -0.33 -2.88 0.00 0.00 179.24 175.94 2mta h GLU 112 N 0.00 0.38 0.77 0.28 5.08 -1.33 -2.21 114.58 117.55 2mta h GLU 112 Ca -0.01 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 2mta h GLU 112 Cb 1.26 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.51 2mta h GLU 112 CO 0.09 0.68 -0.37 0.52 -1.00 0.00 0.00 179.01 178.92 2mta h MET 113 N 0.33 -1.00 -0.10 2.33 2.86 -1.14 -0.50 114.93 117.71 2mta h MET 113 Ca 0.04 0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.77 2mta h MET 113 Cb 0.76 0.23 -0.00 0.00 0.06 0.00 0.00 31.60 32.65 2mta h MET 113 CO 0.06 -0.65 0.14 -0.07 1.06 0.00 0.00 176.91 177.44 2mta h LEU 114 N -1.15 0.00 -0.06 1.22 3.38 -1.43 -0.37 115.31 116.90 2mta h LEU 114 Ca -0.11 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.72 2mta h LEU 114 Cb 0.81 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.57 2mta h LEU 114 CO 0.17 0.00 -0.51 0.03 0.09 0.00 0.00 178.44 178.22 2mta h ARG 115 N 0.00 0.45 -0.40 1.13 3.08 -0.85 -2.85 114.38 114.95 2mta h ARG 115 Ca 0.05 -0.41 -0.01 0.00 0.07 0.00 0.00 59.98 59.67 2mta h ARG 115 Cb 0.32 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 2mta h ARG 115 CO -0.00 1.05 0.19 1.15 -1.07 0.00 0.00 179.97 181.29 2mta h THR 116 N -0.00 1.14 -0.35 2.04 2.02 0.28 -2.06 112.91 115.98 2mta h THR 116 Ca -0.05 -0.39 -0.05 0.00 0.77 0.00 0.00 66.41 66.70 2mta h THR 116 Cb 1.18 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 2mta h THR 116 CO 0.10 0.16 0.01 0.24 0.37 0.00 0.00 175.52 176.41 2mta h MET 117 N 0.55 0.55 0.00 6.66 2.86 -1.11 0.35 114.93 124.79 2mta h MET 117 Ca 0.14 -0.11 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 2mta h MET 117 Cb 0.06 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 2mta h MET 117 CO -0.02 0.56 -0.22 0.00 1.06 0.00 0.00 176.91 178.29 2mta h ALA 118 N 1.50 0.92 0.15 6.32 0.00 -1.13 0.21 119.26 127.23 2mta h ALA 118 Ca 0.11 -0.20 -0.30 0.00 0.00 0.00 0.00 54.91 54.52 2mta h ALA 118 Cb 0.32 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.10 2mta h ALA 118 CO 0.01 0.28 -1.30 2.35 0.00 0.00 0.00 179.25 180.59 2mta h TRP 119 N 0.00 0.94 -0.28 0.00 2.91 -0.79 -0.26 115.95 118.47 2mta h TRP 119 Ca -0.00 -0.62 0.05 0.00 1.13 0.00 0.00 58.89 59.44 2mta h TRP 119 Cb 0.94 -0.06 -0.04 0.00 -0.51 0.00 0.00 29.16 29.48 2mta h TRP 119 CO 0.00 1.47 0.01 0.28 -1.03 0.00 0.00 178.44 179.17 2mta h VAL 120 N 0.22 0.81 0.00 2.65 2.07 -0.85 0.15 116.25 121.30 2mta h VAL 120 Ca -0.20 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 2mta h VAL 120 Cb 1.98 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 32.45 2mta h VAL 120 CO 0.24 0.02 -0.10 0.03 0.02 0.00 0.00 177.57 177.78 2mta h ARG 121 N 0.10 0.00 0.01 1.57 -0.00 -0.49 -2.04 114.38 113.54 2mta h ARG 121 Ca 0.13 0.00 -0.22 0.00 -0.50 0.00 0.00 59.98 59.40 2mta h ARG 121 Cb 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.11 2mta h ARG 121 CO -0.21 0.10 -1.02 1.25 0.00 0.00 0.00 179.97 180.08 2mta h HIS 122 N 0.00 0.03 0.00 3.04 2.76 0.74 -3.27 115.15 118.45 2mta h HIS 122 Ca -0.00 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 2mta h HIS 122 Cb 0.22 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.18 2mta h HIS 122 CO 0.00 1.02 0.00 1.28 -1.30 0.00 0.00 177.93 178.93 2mta n LEU 123 N -3.36 0.00 -4.76 0.26 4.77 0.36 -4.47 117.00 109.80 2mta n LEU 123 Ca -0.01 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.57 2mta n LEU 123 Cb 0.95 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.01 2mta n LEU 123 CO 0.47 0.00 0.92 -0.47 -1.33 0.00 0.00 177.39 176.99 2mta s TYR 124 N -2.00 3.26 -0.66 -1.77 5.04 -1.23 -4.65 117.35 115.34 2mta s TYR 124 Ca 0.20 1.46 0.06 0.00 -2.44 0.00 0.00 57.07 56.35 2mta s TYR 124 Cb 0.09 -3.54 0.10 0.00 0.35 0.00 0.00 41.96 38.96 2mta s TYR 124 CO 0.15 -1.45 0.88 0.25 -1.34 0.00 0.00 175.55 174.04 2mta n THR 125 N 1.37 0.41 0.00 4.34 -2.24 -0.55 -1.72 114.28 115.90 2mta n THR 125 Ca 0.01 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 2mta n THR 125 Cb 0.43 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 2mta n THR 125 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2mta n GLY 126 N 0.22 0.27 3.27 3.38 0.00 -1.26 -4.81 105.19 106.26 2mta n GLY 126 Ca 0.05 -1.41 -0.19 0.00 0.00 0.00 0.00 46.02 44.46 2mta n GLY 126 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2mta s ASP 127 N -1.16 2.25 -0.75 1.61 2.15 -1.26 -4.64 116.67 114.87 2mta s ASP 127 Ca 0.00 -0.82 -0.26 0.00 0.43 0.00 0.00 52.55 51.90 2mta s ASP 127 Cb 0.00 -0.10 -0.08 0.00 -0.30 0.00 0.00 42.92 42.44 2mta s ASP 127 CO 0.00 -0.10 2.18 -2.16 -0.17 0.00 0.00 175.17 174.92 2mta s PRO 128 N -2.69 2.14 0.24 4.34 0.04 -1.26 -3.03 135.00 134.78 2mta s PRO 128 Ca 0.11 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.58 2mta s PRO 128 Cb -0.05 -4.78 0.00 0.00 0.04 0.00 0.00 34.50 29.71 2mta s PRO 128 CO 0.04 -3.66 0.00 0.36 0.04 0.00 0.00 177.00 173.79 2mta n LYS 129 N 8.92 0.00 -3.38 4.56 -0.00 -1.26 -4.84 118.16 122.16 2mta n LYS 129 Ca 0.39 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 58.27 2mta n LYS 129 Cb 0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.49 2mta n LYS 129 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2mta n ASP 130 N -3.00 5.30 -2.79 -5.58 2.03 -1.17 -4.26 116.55 107.08 2mta n ASP 130 Ca 0.00 -3.09 -0.10 0.00 0.52 0.00 0.00 54.79 52.12 2mta n ASP 130 Cb 0.00 -1.29 0.07 0.00 -0.72 0.00 0.00 41.12 39.17 2mta n ASP 130 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2mta n ALA 131 N 2.47 0.96 0.30 -1.67 0.00 -1.26 -4.54 120.51 116.76 2mta n ALA 131 Ca 0.24 -2.00 0.18 0.00 0.00 0.00 0.00 53.44 51.85 2mta n ALA 131 Cb 0.38 -1.04 0.89 0.00 0.00 0.00 0.00 19.45 19.68 2mta n ALA 131 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2mta h SER 132 N 2.69 0.00 1.39 0.00 0.02 -1.84 -1.79 113.55 114.02 2mta h SER 132 Ca -0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2mta h SER 132 Cb 1.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.69 2mta h SER 132 CO 0.19 0.03 0.00 4.11 -1.14 0.00 0.00 176.83 180.02 2mta h TRP 133 N 0.00 0.00 -2.94 3.45 0.09 -1.94 -3.46 115.95 111.15 2mta h TRP 133 Ca -0.00 0.00 -0.62 0.00 0.09 0.00 0.00 58.89 58.36 2mta h TRP 133 Cb 0.28 0.00 -0.05 0.00 0.08 0.00 0.00 29.16 29.47 2mta h TRP 133 CO 0.00 0.00 -0.32 -0.51 0.09 0.00 0.00 178.44 177.70 2mta s LEU 134 N -5.06 4.39 0.83 0.11 1.02 -0.67 -4.90 118.68 114.39 2mta s LEU 134 Ca 0.08 0.70 -0.10 0.00 0.02 0.00 0.00 54.13 54.83 2mta s LEU 134 Cb 0.10 -2.64 0.14 0.00 0.02 0.00 0.00 46.19 43.80 2mta s LEU 134 CO 0.56 0.27 1.16 0.42 0.02 0.00 0.00 176.35 178.78 2mta s THR 135 N -1.23 2.10 0.36 5.49 -4.23 -1.26 -4.76 115.64 112.11 2mta s THR 135 Ca 0.26 -0.20 0.11 0.00 -1.18 0.00 0.00 61.69 60.68 2mta s THR 135 Cb -0.14 -2.89 0.10 0.00 1.34 0.00 0.00 72.50 70.90 2mta s THR 135 CO 0.14 0.00 1.82 0.44 -0.54 0.00 0.00 174.62 176.49 2mta h ASP 136 N -1.07 0.09 0.50 3.99 3.32 -1.98 0.41 116.42 121.68 2mta h ASP 136 Ca -0.43 -0.03 -0.30 0.00 0.02 0.00 0.00 57.03 56.30 2mta h ASP 136 Cb 1.27 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 40.81 2mta h ASP 136 CO 0.47 0.42 -1.35 -0.33 -1.72 0.00 0.00 179.24 176.72 2mta h GLU 137 N 0.08 0.35 -0.36 3.56 3.07 -1.97 0.54 114.58 119.85 2mta h GLU 137 Ca 0.01 -0.59 -0.15 0.00 -0.50 0.00 0.00 59.36 58.13 2mta h GLU 137 Cb 0.62 0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.75 2mta h GLU 137 CO 0.05 1.27 -0.36 1.96 -1.40 0.00 0.00 179.01 180.53 2mta h GLN 138 N 0.09 0.85 -0.70 2.33 4.20 -1.46 -2.52 115.11 117.91 2mta h GLN 138 Ca -0.19 -0.43 -0.03 0.00 0.06 0.00 0.00 58.65 58.07 2mta h GLN 138 Cb 2.04 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.79 2mta h GLN 138 CO 0.22 1.07 0.33 0.87 -0.67 0.00 0.00 178.83 180.64 2mta h LYS 139 N 0.70 1.01 -0.16 1.46 1.57 -0.22 -2.53 116.57 118.40 2mta h LYS 139 Ca 0.06 -0.15 0.05 0.00 -1.87 0.00 0.00 60.65 58.74 2mta h LYS 139 Cb 0.93 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 2mta h LYS 139 CO 0.09 0.80 0.13 0.00 -0.57 0.00 0.00 179.45 179.89 2mta h ALA 140 N 1.16 2.07 -0.45 3.86 0.00 -0.51 -1.66 119.26 123.72 2mta h ALA 140 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2mta h ALA 140 Cb 0.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2mta h ALA 140 CO -0.03 -0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.42 2mta n GLY 141 N -1.53 2.90 3.75 0.00 0.00 -0.98 -5.00 105.19 104.32 2mta n GLY 141 Ca 0.01 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 2mta n GLY 141 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2mta s PHE 142 N -1.39 3.60 -0.16 1.61 5.36 -0.62 -5.05 117.98 121.32 2mta s PHE 142 Ca 0.35 1.04 0.02 0.00 -0.96 0.00 0.00 56.93 57.38 2mta s PHE 142 Cb 0.21 -2.56 0.01 0.00 -0.34 0.00 0.00 43.02 40.34 2mta s PHE 142 CO 0.19 0.28 -0.20 0.99 -1.46 0.00 0.00 175.22 175.02 2mta s THR 143 N 0.15 2.12 0.09 0.12 2.01 -1.26 -4.92 115.64 113.94 2mta s THR 143 Ca 0.28 -0.94 -0.37 0.00 0.31 0.00 0.00 61.69 60.98 2mta s THR 143 Cb -0.17 -1.87 -0.17 0.00 0.01 0.00 0.00 72.50 70.31 2mta s THR 143 CO 0.14 0.54 1.36 -2.65 -0.69 0.00 0.00 174.62 173.32 2mta n PRO 144 N 4.34 1.22 -2.14 4.92 -0.02 -1.26 -4.83 135.00 137.22 2mta n PRO 144 Ca -0.20 0.44 -0.41 0.00 -2.02 0.00 0.00 63.50 61.30 2mta n PRO 144 Cb 0.51 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.87 2mta n PRO 144 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2mta s PHE 145 N 0.57 3.14 -0.21 6.00 5.36 -0.70 -4.99 117.98 127.15 2mta s PHE 145 Ca 0.84 1.25 0.01 0.00 -0.96 0.00 0.00 56.93 58.07 2mta s PHE 145 Cb -0.94 -3.67 0.04 0.00 -0.34 0.00 0.00 43.02 38.11 2mta s PHE 145 CO 0.46 -2.04 -0.12 -0.65 -1.46 0.00 0.00 175.22 171.42 2mta s GLN 146 N -0.75 2.19 0.00 10.12 -1.52 -1.26 -4.78 119.66 123.65 2mta s GLN 146 Ca 0.55 -0.92 0.20 0.00 -1.95 0.00 0.00 55.36 53.24 2mta s GLN 146 Cb -0.39 -2.51 1.22 0.00 -0.22 0.00 0.00 33.01 31.12 2mta s GLN 146 CO 0.44 -0.42 1.61 -2.30 -0.25 0.00 0.00 175.29 174.37