#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2joe n GLY 2 N 0.00 5.00 3.96 -5.12 0.00 -1.26 -5.00 105.19 102.77 2joe n GLY 2 Ca 0.00 -2.48 -0.22 0.00 0.00 0.00 0.00 46.02 43.31 2joe n GLY 2 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2joe n ASP 3 N 2.20 1.61 0.18 1.61 -0.08 -1.26 -5.03 116.55 115.78 2joe n ASP 3 Ca 0.30 -2.28 0.00 0.00 -1.51 0.00 0.00 54.79 51.30 2joe n ASP 3 Cb 0.34 -0.59 0.00 0.00 2.34 0.00 0.00 41.12 43.21 2joe n ASP 3 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2joe n LYS 4 N -2.70 0.00 -1.94 -0.67 3.00 -1.26 -5.15 118.16 109.44 2joe n LYS 4 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.48 2joe n LYS 4 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.63 2joe n LYS 4 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2joe n GLU 5 N -3.23 -4.22 -4.24 1.64 2.13 -1.26 -5.04 120.64 106.42 2joe n GLU 5 Ca 0.00 3.14 -0.30 0.00 0.66 0.00 0.00 57.16 60.66 2joe n GLU 5 Cb 0.00 -3.66 -0.10 0.00 0.27 0.00 0.00 31.44 27.95 2joe n GLU 5 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2joe s GLU 6 N -1.00 2.24 -0.10 5.31 2.02 0.18 -4.96 118.70 122.40 2joe s GLU 6 Ca 0.00 -0.96 -0.00 0.00 0.02 0.00 0.00 54.97 54.02 2joe s GLU 6 Cb 0.00 -2.36 0.02 0.00 0.10 0.00 0.00 34.13 31.89 2joe s GLU 6 CO 0.00 0.52 -0.06 -1.54 0.02 0.00 0.00 175.26 174.20 2joe s SER 7 N -2.14 1.99 -0.16 -0.19 1.04 -1.26 -0.01 113.70 112.96 2joe s SER 7 Ca 0.22 -0.25 0.01 0.00 0.48 0.00 0.00 55.95 56.40 2joe s SER 7 Cb -0.11 -0.75 0.02 0.00 0.10 0.00 0.00 66.02 65.28 2joe s SER 7 CO 0.14 -0.12 -0.16 -0.75 0.98 0.00 0.00 173.24 173.32 2joe s LYS 8 N 1.65 2.58 -0.26 4.02 2.20 -0.67 -3.03 119.74 126.23 2joe s LYS 8 Ca 0.03 -0.68 -0.10 0.00 -0.36 0.00 0.00 55.97 54.86 2joe s LYS 8 Cb -0.13 -2.31 -0.05 0.00 -1.51 0.00 0.00 37.83 33.84 2joe s LYS 8 CO -0.06 -0.23 0.15 0.21 -0.36 0.00 0.00 175.35 175.05 2joe s LYS 9 N 1.40 3.92 0.04 4.03 2.20 -1.19 -1.57 119.74 128.57 2joe s LYS 9 Ca 0.05 -0.34 0.02 0.00 -0.36 0.00 0.00 55.97 55.34 2joe s LYS 9 Cb -0.13 -3.53 -0.04 0.00 -1.51 0.00 0.00 37.83 32.62 2joe s LYS 9 CO -0.12 -0.10 0.02 -0.59 -0.36 0.00 0.00 175.35 174.21 2joe s PHE 10 N 1.48 3.09 -0.18 4.03 -0.12 -0.56 0.50 117.98 126.23 2joe s PHE 10 Ca 0.07 0.07 -0.04 0.00 -0.05 0.00 0.00 56.93 56.97 2joe s PHE 10 Cb -0.15 -1.63 0.09 0.00 -0.63 0.00 0.00 43.02 40.69 2joe s PHE 10 CO 0.07 0.49 0.27 0.45 -0.05 0.00 0.00 175.22 176.45 2joe s SER 11 N -1.91 0.69 -0.18 1.98 0.15 -0.90 -0.34 113.70 113.20 2joe s SER 11 Ca 0.23 0.25 0.01 0.00 0.70 0.00 0.00 55.95 57.14 2joe s SER 11 Cb -0.12 0.67 0.02 0.00 -1.71 0.00 0.00 66.02 64.89 2joe s SER 11 CO 0.15 -0.28 -0.20 0.00 1.20 0.00 0.00 173.24 174.11 2joe s ALA 12 N 2.41 2.29 -0.57 5.45 0.00 -0.74 -4.60 121.76 126.01 2joe s ALA 12 Ca 0.05 -1.19 -0.22 0.00 0.00 0.00 0.00 51.96 50.60 2joe s ALA 12 Cb -0.14 -1.17 0.06 0.00 0.00 0.00 0.00 23.12 21.87 2joe s ALA 12 CO -0.11 -0.34 0.84 0.54 0.00 0.00 0.00 175.76 176.69 2joe s ASN 13 N 1.29 6.25 -0.73 0.00 4.22 -1.26 -1.99 114.94 122.73 2joe s ASN 13 Ca 0.05 -0.76 -0.14 0.00 -2.14 0.00 0.00 52.86 49.87 2joe s ASN 13 Cb -0.13 -2.38 0.19 0.00 1.28 0.00 0.00 41.25 40.21 2joe s ASN 13 CO -0.13 -1.19 0.66 -0.76 -2.04 0.00 0.00 177.10 173.65 2joe s LEU 14 N 3.52 6.48 -0.85 3.54 1.02 0.98 -4.64 118.68 128.73 2joe s LEU 14 Ca 0.23 -2.45 -0.02 0.00 0.02 0.00 0.00 54.13 51.91 2joe s LEU 14 Cb -0.16 -2.18 -0.02 0.00 0.02 0.00 0.00 46.19 43.85 2joe s LEU 14 CO 0.14 -0.64 0.77 -3.20 0.02 0.00 0.00 176.35 173.44 2joe n ASN 15 N 4.30 -7.34 -0.44 2.29 5.15 -1.26 -3.16 115.26 114.79 2joe n ASN 15 Ca 0.06 -0.31 -0.06 0.00 -0.60 0.00 0.00 54.58 53.67 2joe n ASN 15 Cb 0.44 -5.19 -0.02 0.00 -0.53 0.00 0.00 39.78 34.48 2joe n ASN 15 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2joe n GLY 16 N -1.59 0.81 2.70 8.20 0.00 -1.26 -4.94 105.19 109.10 2joe n GLY 16 Ca -0.03 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 2joe n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2joe s THR 17 N -2.14 0.55 -0.63 2.61 2.01 -1.19 -2.40 115.64 114.45 2joe s THR 17 Ca 0.00 -0.92 -0.20 0.00 0.31 0.00 0.00 61.69 60.87 2joe s THR 17 Cb 0.00 -1.27 0.09 0.00 0.01 0.00 0.00 72.50 71.33 2joe s THR 17 CO 0.00 -0.49 0.83 -1.61 -0.69 0.00 0.00 174.62 172.66 2joe s GLU 18 N 1.81 3.09 -0.47 4.92 2.02 0.24 -0.01 118.70 130.29 2joe s GLU 18 Ca 0.05 -1.14 -0.21 0.00 0.02 0.00 0.00 54.97 53.69 2joe s GLU 18 Cb -0.17 -4.27 0.03 0.00 0.10 0.00 0.00 34.13 29.82 2joe s GLU 18 CO -0.20 -1.66 0.70 0.42 0.02 0.00 0.00 175.26 174.53 2joe s ILE 19 N 3.24 4.75 -0.31 -1.63 1.01 -0.84 -0.18 121.20 127.25 2joe s ILE 19 Ca 0.17 0.05 -0.01 0.00 0.00 0.00 0.00 60.65 60.85 2joe s ILE 19 Cb -0.20 -4.29 0.06 0.00 0.01 0.00 0.00 42.46 38.04 2joe s ILE 19 CO 0.07 -0.73 0.02 0.00 0.00 0.00 0.00 174.94 174.30 2joe s ALA 20 N 3.00 2.84 -0.39 9.38 0.00 -0.23 -1.79 121.76 134.57 2joe s ALA 20 Ca 0.23 -1.87 -0.13 0.00 0.00 0.00 0.00 51.96 50.19 2joe s ALA 20 Cb -0.15 -1.97 0.02 0.00 0.00 0.00 0.00 23.12 21.02 2joe s ALA 20 CO 0.18 -1.34 0.25 0.42 0.00 0.00 0.00 175.76 175.28 2joe s ILE 21 N 1.22 4.99 -0.87 0.00 1.01 0.54 -0.95 121.20 127.15 2joe s ILE 21 Ca -0.03 -0.67 -0.15 0.00 0.00 0.00 0.00 60.65 59.80 2joe s ILE 21 Cb -0.20 -3.75 0.20 0.00 0.01 0.00 0.00 42.46 38.72 2joe s ILE 21 CO -0.02 -0.23 0.88 -0.89 0.00 0.00 0.00 174.94 174.67 2joe s THR 22 N 1.64 5.42 -0.16 2.92 2.01 0.14 -1.49 115.64 126.11 2joe s THR 22 Ca 0.04 -2.31 -0.19 0.00 0.31 0.00 0.00 61.69 59.55 2joe s THR 22 Cb -0.19 -4.55 -0.04 0.00 0.01 0.00 0.00 72.50 67.73 2joe s THR 22 CO 0.09 -1.15 0.51 -0.72 -0.69 0.00 0.00 174.62 172.66 2joe s TYR 23 N 0.70 3.43 -0.24 4.92 -0.85 -0.61 -2.17 117.35 122.55 2joe s TYR 23 Ca 0.22 0.84 -0.20 0.00 -0.52 0.00 0.00 57.07 57.41 2joe s TYR 23 Cb -0.09 -2.63 -0.02 0.00 0.38 0.00 0.00 41.96 39.60 2joe s TYR 23 CO -0.09 0.01 0.61 0.08 -1.52 0.00 0.00 175.55 174.64 2joe s VAL 24 N 1.23 5.01 0.12 -3.49 1.01 0.14 -1.67 120.40 122.74 2joe s VAL 24 Ca 0.25 1.11 0.06 0.00 0.00 0.00 0.00 61.98 63.40 2joe s VAL 24 Cb -0.15 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 2joe s VAL 24 CO 0.10 0.06 -0.14 -0.72 0.00 0.00 0.00 175.10 174.41 2joe s TYR 25 N 2.29 1.36 -0.26 5.22 1.13 0.98 -0.38 117.35 127.69 2joe s TYR 25 Ca 0.26 -0.56 -0.02 0.00 -1.41 0.00 0.00 57.07 55.34 2joe s TYR 25 Cb -0.16 -0.71 0.08 0.00 -1.10 0.00 0.00 41.96 40.07 2joe s TYR 25 CO 0.09 0.13 0.08 0.21 -2.51 0.00 0.00 175.55 173.54 2joe s LYS 26 N -2.67 0.61 7.79 -3.49 2.20 0.57 -0.64 119.74 124.11 2joe s LYS 26 Ca 0.08 -0.71 0.00 0.00 -0.36 0.00 0.00 55.97 54.98 2joe s LYS 26 Cb -0.05 -1.90 0.00 0.00 -1.51 0.00 0.00 37.83 34.37 2joe s LYS 26 CO 0.03 -0.85 0.00 0.41 -0.36 0.00 0.00 175.35 174.58 2joe n GLY 27 N 5.00 2.33 0.52 5.54 0.00 -1.26 -2.65 105.19 114.67 2joe n GLY 27 Ca -0.06 -0.40 0.08 0.00 0.00 0.00 0.00 46.02 45.64 2joe n GLY 27 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2joe n ASP 28 N 9.12 2.02 -4.53 1.61 2.03 -1.26 -4.82 116.55 120.73 2joe n ASP 28 Ca 0.00 -1.51 -0.42 0.00 0.52 0.00 0.00 54.79 53.37 2joe n ASP 28 Cb 0.00 0.18 -0.07 0.00 -0.72 0.00 0.00 41.12 40.50 2joe n ASP 28 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2joe s LYS 29 N -1.49 3.36 -0.12 -0.67 2.36 -1.08 -0.35 119.74 121.75 2joe s LYS 29 Ca 0.16 -0.35 -0.29 0.00 -2.55 0.00 0.00 55.97 52.93 2joe s LYS 29 Cb 0.13 -3.91 -0.01 0.00 -1.05 0.00 0.00 37.83 32.99 2joe s LYS 29 CO 0.26 -0.87 1.03 0.08 1.55 0.00 0.00 175.35 177.40 2joe s VAL 30 N 2.60 4.71 -0.23 4.02 1.01 -1.26 -0.31 120.40 130.93 2joe s VAL 30 Ca 0.20 1.99 -0.01 0.00 0.00 0.00 0.00 61.98 64.17 2joe s VAL 30 Cb -0.15 -4.28 -0.14 0.00 0.00 0.00 0.00 36.38 31.81 2joe s VAL 30 CO 0.16 -0.03 -0.22 0.18 0.00 0.00 0.00 175.10 175.20 2joe n LEU 31 N 5.25 2.78 -3.85 3.92 4.77 0.49 -4.59 117.00 125.77 2joe n LEU 31 Ca 0.10 -0.05 -0.20 0.00 -0.03 0.00 0.00 56.01 55.82 2joe n LEU 31 Cb 0.48 -0.79 -0.17 0.00 -2.33 0.00 0.00 43.42 40.62 2joe n LEU 31 CO 0.52 0.83 -0.39 -0.54 -1.33 0.00 0.00 177.39 176.48 2joe s LYS 32 N -2.46 0.65 -0.56 3.23 1.02 -0.58 -0.13 119.74 120.92 2joe s LYS 32 Ca -0.31 -0.01 -0.08 0.00 0.02 0.00 0.00 55.97 55.59 2joe s LYS 32 Cb 0.09 -0.77 0.14 0.00 -0.52 0.00 0.00 37.83 36.77 2joe s LYS 32 CO 0.51 -0.14 0.42 -1.14 -0.92 0.00 0.00 175.35 174.08 2joe s GLN 33 N 1.16 2.63 -0.93 1.68 0.74 0.70 0.23 119.66 125.87 2joe s GLN 33 Ca -0.07 -2.07 -0.21 0.00 0.05 0.00 0.00 55.36 53.05 2joe s GLN 33 Cb -0.14 -3.92 0.09 0.00 1.10 0.00 0.00 33.01 30.14 2joe s GLN 33 CO -0.01 -1.19 1.24 -1.12 -0.55 0.00 0.00 175.29 173.65 2joe s SER 34 N 2.02 6.52 -0.55 6.67 0.01 -0.92 -0.20 113.70 127.25 2joe s SER 34 Ca 0.11 -1.66 -0.17 0.00 1.31 0.00 0.00 55.95 55.53 2joe s SER 34 Cb -0.22 -2.47 0.11 0.00 0.21 0.00 0.00 66.02 63.65 2joe s SER 34 CO -0.03 -1.30 0.58 -0.55 0.41 0.00 0.00 173.24 172.36 2joe s SER 35 N 4.15 6.19 -0.42 2.44 0.15 0.13 0.27 113.70 126.60 2joe s SER 35 Ca 0.37 -1.52 -0.14 0.00 0.70 0.00 0.00 55.95 55.36 2joe s SER 35 Cb -0.04 -2.25 0.04 0.00 -1.71 0.00 0.00 66.02 62.05 2joe s SER 35 CO -0.07 -0.94 0.30 -1.61 1.20 0.00 0.00 173.24 172.12 2joe s GLU 36 N 2.13 2.92 -0.58 5.44 2.02 -0.12 -1.07 118.70 129.44 2joe s GLU 36 Ca 0.08 -1.14 -0.20 0.00 0.02 0.00 0.00 54.97 53.73 2joe s GLU 36 Cb -0.26 -3.95 0.08 0.00 0.10 0.00 0.00 34.13 30.09 2joe s GLU 36 CO 0.05 -0.82 0.75 0.99 0.02 0.00 0.00 175.26 176.26 2joe s THR 37 N 1.63 4.70 -0.68 3.63 2.01 0.28 -1.06 115.64 126.15 2joe s THR 37 Ca 0.04 -0.63 -0.26 0.00 0.31 0.00 0.00 61.69 61.14 2joe s THR 37 Cb -0.21 -4.48 0.04 0.00 0.01 0.00 0.00 72.50 67.86 2joe s THR 37 CO 0.08 -1.11 1.18 -0.75 -0.69 0.00 0.00 174.62 173.33 2joe s LYS 38 N 3.05 3.25 -0.32 4.92 2.47 0.75 -0.76 119.74 133.09 2joe s LYS 38 Ca 0.16 -0.27 -0.11 0.00 -1.56 0.00 0.00 55.97 54.19 2joe s LYS 38 Cb -0.20 -4.15 -0.01 0.00 -1.46 0.00 0.00 37.83 32.00 2joe s LYS 38 CO 0.10 -1.95 0.19 0.42 0.16 0.00 0.00 175.35 174.27 2joe s ILE 39 N 5.13 4.92 0.37 5.43 1.01 0.05 -0.60 121.20 137.51 2joe s ILE 39 Ca 0.34 -0.32 -0.26 0.00 0.00 0.00 0.00 60.65 60.41 2joe s ILE 39 Cb -0.10 -3.51 -0.09 0.00 0.01 0.00 0.00 42.46 38.77 2joe s ILE 39 CO 0.16 0.04 1.14 -1.10 0.00 0.00 0.00 174.94 175.18 2joe s GLN 40 N 1.67 4.23 0.30 2.79 1.11 -1.01 -0.61 119.66 128.14 2joe s GLN 40 Ca 0.05 1.79 0.23 0.00 0.01 0.00 0.00 55.36 57.44 2joe s GLN 40 Cb -0.17 -2.79 1.11 0.00 -1.01 0.00 0.00 33.01 30.14 2joe s GLN 40 CO 0.08 -0.15 1.70 1.19 0.01 0.00 0.00 175.29 178.12 2joe n PHE 41 N 0.35 0.80 0.11 0.91 3.01 -0.84 -2.01 117.46 119.78 2joe n PHE 41 Ca 0.03 0.37 -0.01 0.00 1.01 0.00 0.00 57.45 58.85 2joe n PHE 41 Cb 0.46 -1.09 0.27 0.00 -0.01 0.00 0.00 39.48 39.12 2joe n PHE 41 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2joe h ALA 42 N 2.11 1.22 0.00 4.37 0.00 -1.84 0.21 119.26 125.33 2joe h ALA 42 Ca 0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 2joe h ALA 42 Cb 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2joe h ALA 42 CO 0.00 0.53 -0.82 0.77 0.00 0.00 0.00 179.25 179.73 2joe h SER 43 N 0.19 0.00 0.02 0.00 0.02 -1.73 -3.34 113.55 108.71 2joe h SER 43 Ca 0.02 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.77 2joe h SER 43 Cb 0.70 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.21 2joe h SER 43 CO 0.05 0.35 -2.20 0.00 -1.14 0.00 0.00 176.83 173.89 2joe n ILE 44 N -2.99 0.77 -1.58 3.27 3.06 -1.15 -5.00 119.36 115.75 2joe n ILE 44 Ca -0.02 -0.70 0.00 0.00 -2.50 0.00 0.00 62.75 59.53 2joe n ILE 44 Cb 0.70 -0.26 0.00 0.00 0.54 0.00 0.00 39.64 40.62 2joe n ILE 44 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2joe n GLY 45 N 1.53 0.89 3.84 4.50 0.00 0.68 -5.07 105.19 111.56 2joe n GLY 45 Ca -0.20 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 44.92 2joe n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2joe s ALA 46 N -2.29 3.76 -0.22 4.61 0.00 -0.86 -5.02 121.76 121.74 2joe s ALA 46 Ca 0.00 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.14 2joe s ALA 46 Cb 0.00 -1.69 -0.16 0.00 0.00 0.00 0.00 23.12 21.27 2joe s ALA 46 CO 0.00 0.74 -0.17 0.25 0.00 0.00 0.00 175.76 176.58 2joe n THR 47 N 0.86 1.29 -4.32 0.00 -2.24 -1.26 -4.71 114.28 103.90 2joe n THR 47 Ca -0.10 -0.52 -0.20 0.00 -2.27 0.00 0.00 64.05 60.95 2joe n THR 47 Cb 0.52 -1.22 -0.07 0.00 -2.10 0.00 0.00 70.33 67.46 2joe n THR 47 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2joe n THR 48 N -3.10 0.00 0.03 4.28 -2.24 -1.26 -4.54 114.28 107.45 2joe n THR 48 Ca -0.39 -2.36 0.04 0.00 -2.27 0.00 0.00 64.05 59.07 2joe n THR 48 Cb 0.94 1.12 0.43 0.00 -2.10 0.00 0.00 70.33 70.72 2joe n THR 48 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2joe h LYS 49 N 0.00 0.47 -0.28 -0.78 2.10 -1.84 -2.21 116.57 114.02 2joe h LYS 49 Ca -0.24 -0.04 -0.13 0.00 -2.00 0.00 0.00 60.65 58.24 2joe h LYS 49 Cb 1.17 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 32.39 2joe h LYS 49 CO 0.36 0.34 -0.36 0.93 -2.00 0.00 0.00 179.45 178.72 2joe h GLU 50 N 0.48 0.64 -0.35 0.07 5.08 -1.96 -0.58 114.58 117.96 2joe h GLU 50 Ca 0.12 -0.31 0.05 0.00 -1.00 0.00 0.00 59.36 58.23 2joe h GLU 50 Cb 0.00 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 2joe h GLU 50 CO -0.02 0.90 0.06 -0.44 -1.00 0.00 0.00 179.01 178.51 2joe h ASP 51 N 0.53 -0.01 -0.76 1.42 5.19 -1.81 0.23 116.42 121.21 2joe h ASP 51 Ca 0.05 0.06 -0.05 0.00 -0.62 0.00 0.00 57.03 56.47 2joe h ASP 51 Cb 0.87 0.09 -0.03 0.00 0.18 0.00 0.00 39.33 40.43 2joe h ASP 51 CO 0.07 0.03 0.28 0.00 -3.12 0.00 0.00 179.24 176.50 2joe h ALA 52 N 1.27 1.04 -0.23 3.45 0.00 -1.27 -2.65 119.26 120.86 2joe h ALA 52 Ca 0.17 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2joe h ALA 52 Cb 0.19 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2joe h ALA 52 CO -0.23 0.66 0.03 0.00 0.00 0.00 0.00 179.25 179.71 2joe h ALA 53 N 1.17 0.31 -0.13 0.00 0.00 -0.52 0.25 119.26 120.34 2joe h ALA 53 Ca 0.25 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2joe h ALA 53 Cb 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2joe h ALA 53 CO -0.02 0.00 0.23 0.87 0.00 0.00 0.00 179.25 180.34 2joe h LYS 54 N 0.19 0.00 0.00 0.00 1.79 -0.30 0.15 116.57 118.39 2joe h LYS 54 Ca 0.07 0.00 -0.42 0.00 -2.18 0.00 0.00 60.65 58.12 2joe h LYS 54 Cb 0.35 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.93 2joe h LYS 54 CO 0.01 0.00 -2.31 2.41 -1.08 0.00 0.00 179.45 178.48 2joe n THR 55 N -3.43 1.53 1.01 -0.16 -1.04 -1.01 -4.66 114.28 106.52 2joe n THR 55 Ca 0.01 -0.33 0.11 0.00 -2.04 0.00 0.00 64.05 61.80 2joe n THR 55 Cb 0.33 -1.90 0.14 0.00 -1.82 0.00 0.00 70.33 67.08 2joe n THR 55 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2joe n LEU 56 N -4.25 0.68 -0.05 -4.42 4.77 0.86 -3.79 117.00 110.79 2joe n LEU 56 Ca -0.50 -0.16 -0.14 0.00 -0.03 0.00 0.00 56.01 55.17 2joe n LEU 56 Cb 0.85 -0.17 -0.08 0.00 -2.33 0.00 0.00 43.42 41.70 2joe n LEU 56 CO 0.07 0.17 0.52 -0.33 -1.33 0.00 0.00 177.39 176.48 2joe h GLU 57 N 0.05 0.40 -1.09 3.23 5.08 -0.90 0.16 114.58 121.51 2joe h GLU 57 Ca 0.00 -0.26 0.30 0.00 -1.00 0.00 0.00 59.36 58.41 2joe h GLU 57 Cb 0.50 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.72 2joe h GLU 57 CO 0.00 0.85 0.76 -1.35 -1.00 0.00 0.00 179.01 178.27 2joe h PRO 58 N -0.01 0.12 -0.02 2.33 0.11 -1.76 -0.48 132.00 132.29 2joe h PRO 58 Ca 0.01 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 2joe h PRO 58 Cb 0.84 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 31.93 2joe h PRO 58 CO 0.06 0.08 -0.32 1.25 -0.21 0.00 0.00 178.00 178.85 2joe h LEU 59 N 0.12 0.31 -1.41 2.35 5.85 -1.49 -3.12 115.31 117.92 2joe h LEU 59 Ca 0.55 -0.74 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2joe h LEU 59 Cb 1.93 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.86 2joe h LEU 59 CO -0.09 1.01 0.00 0.77 -0.34 0.00 0.00 178.44 179.78 2joe h SER 60 N -0.35 0.00 0.00 1.25 4.64 -0.08 -0.08 113.55 118.92 2joe h SER 60 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2joe h SER 60 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2joe h SER 60 CO 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 2joe n ALA 61 N -1.91 2.20 -0.02 5.18 0.00 -0.25 -2.48 120.51 123.24 2joe n ALA 61 Ca 0.00 -0.11 -0.22 0.00 0.00 0.00 0.00 53.44 53.12 2joe n ALA 61 Cb 0.19 -1.28 -0.13 0.00 0.00 0.00 0.00 19.45 18.23 2joe n ALA 61 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2joe h LYS 62 N 0.00 0.20 -0.14 0.00 1.79 -1.13 -3.38 116.57 113.91 2joe h LYS 62 Ca 0.00 -0.35 0.00 0.00 -2.18 0.00 0.00 60.65 58.12 2joe h LYS 62 Cb 0.00 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 2joe h LYS 62 CO 0.00 1.17 0.00 0.66 -1.08 0.00 0.00 179.45 180.20 2joe n TYR 63 N -3.84 0.17 -1.57 -1.35 4.02 -1.03 -4.90 117.16 108.66 2joe n TYR 63 Ca -0.30 -0.09 -0.40 0.00 -0.01 0.00 0.00 57.90 57.10 2joe n TYR 63 Cb 0.92 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 40.21 2joe n TYR 63 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 2joe n LYS 64 N 0.42 1.50 -3.54 -0.72 0.00 -1.07 -2.77 118.16 111.98 2joe n LYS 64 Ca 0.17 0.28 -0.21 0.00 -0.00 0.00 0.00 58.31 58.55 2joe n LYS 64 Cb 0.37 -3.29 0.02 0.00 -0.00 0.00 0.00 35.03 32.13 2joe n LYS 64 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2joe n ASN 65 N 13.54 -5.89 0.00 -5.58 2.85 -1.26 -4.98 115.26 113.93 2joe n ASN 65 Ca 0.34 -0.75 0.00 0.00 -0.11 0.00 0.00 54.58 54.06 2joe n ASN 65 Cb 0.48 -3.48 0.00 0.00 1.24 0.00 0.00 39.78 38.02 2joe n ASN 65 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 2joe n ILE 66 N -3.14 0.00 -1.03 -1.44 5.41 -1.11 -5.10 119.36 112.94 2joe n ILE 66 Ca -0.13 0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.77 2joe n ILE 66 Cb 0.59 -1.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.52 2joe n ILE 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2joe n ALA 67 N -1.62 0.00 -0.76 -1.39 0.00 -1.26 -4.94 120.51 110.55 2joe n ALA 67 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2joe n ALA 67 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 2joe n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2joe n GLY 68 N 4.54 2.54 3.38 0.00 0.00 -1.26 -4.81 105.19 109.57 2joe n GLY 68 Ca 0.00 -0.86 -0.45 0.00 0.00 0.00 0.00 46.02 44.71 2joe n GLY 68 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2joe s VAL 69 N 1.30 4.94 -0.47 1.61 -7.23 -1.26 -0.74 120.40 118.55 2joe s VAL 69 Ca 0.48 -0.99 -0.18 0.00 -1.81 0.00 0.00 61.98 59.47 2joe s VAL 69 Cb 0.23 -4.39 0.05 0.00 0.56 0.00 0.00 36.38 32.83 2joe s VAL 69 CO 0.00 -0.96 0.55 -1.61 -0.31 0.00 0.00 175.10 172.77 2joe s GLU 70 N 2.37 3.12 -0.15 4.82 2.02 0.76 -4.79 118.70 126.85 2joe s GLU 70 Ca 0.10 -0.84 -0.03 0.00 0.02 0.00 0.00 54.97 54.22 2joe s GLU 70 Cb -0.24 -4.05 -0.02 0.00 0.10 0.00 0.00 34.13 29.92 2joe s GLU 70 CO 0.07 -1.07 -0.06 -2.00 0.02 0.00 0.00 175.26 172.21 2joe s GLU 71 N 2.41 3.58 -0.24 1.61 2.12 -1.26 -0.28 118.70 126.65 2joe s GLU 71 Ca 0.14 -0.57 -0.02 0.00 0.36 0.00 0.00 54.97 54.89 2joe s GLU 71 Cb -0.18 -2.85 0.07 0.00 0.26 0.00 0.00 34.13 31.43 2joe s GLU 71 CO 0.13 0.21 0.04 0.21 -0.54 0.00 0.00 175.26 175.30 2joe s LYS 72 N 0.44 0.82 -0.63 4.30 2.47 0.99 -5.02 119.74 123.11 2joe s LYS 72 Ca -0.05 -0.72 -0.20 0.00 -1.56 0.00 0.00 55.97 53.43 2joe s LYS 72 Cb -0.15 -2.13 0.09 0.00 -1.46 0.00 0.00 37.83 34.18 2joe s LYS 72 CO 0.03 -0.75 0.82 -0.51 0.16 0.00 0.00 175.35 175.11 2joe s LEU 73 N 1.71 4.97 -0.41 5.43 1.43 -1.26 -1.60 118.68 128.96 2joe s LEU 73 Ca 0.02 -1.28 -0.13 0.00 -1.03 0.00 0.00 54.13 51.71 2joe s LEU 73 Cb -0.17 -2.35 0.03 0.00 0.03 0.00 0.00 46.19 43.73 2joe s LEU 73 CO -0.14 -1.25 0.28 0.42 0.23 0.00 0.00 176.35 175.90 2joe s THR 74 N 3.25 4.98 -0.18 5.49 -4.23 -0.83 -4.98 115.64 119.14 2joe s THR 74 Ca 0.16 -0.83 0.01 0.00 -1.18 0.00 0.00 61.69 59.85 2joe s THR 74 Cb -0.21 -3.83 0.02 0.00 1.34 0.00 0.00 72.50 69.83 2joe s THR 74 CO 0.07 -0.34 -0.20 -0.72 -0.54 0.00 0.00 174.62 172.89 2joe s TYR 75 N 1.62 2.77 0.27 3.99 -0.85 -1.26 -0.14 117.35 123.75 2joe s TYR 75 Ca 0.04 -1.60 0.06 0.00 -0.52 0.00 0.00 57.07 55.04 2joe s TYR 75 Cb -0.20 -1.91 -0.02 0.00 0.38 0.00 0.00 41.96 40.21 2joe s TYR 75 CO 0.08 -0.78 0.39 0.99 -1.52 0.00 0.00 175.55 174.71 2joe s THR 76 N 1.23 4.82 -1.17 -3.49 2.01 -0.44 -4.71 115.64 113.89 2joe s THR 76 Ca 0.03 -1.01 -0.08 0.00 0.31 0.00 0.00 61.69 60.94 2joe s THR 76 Cb -0.13 -3.69 -0.11 0.00 0.01 0.00 0.00 72.50 68.58 2joe s THR 76 CO -0.11 -0.27 2.81 0.47 -0.69 0.00 0.00 174.62 176.82 2joe n ASP 77 N -1.48 7.12 0.00 3.53 8.00 -1.26 -2.48 116.55 129.98 2joe n ASP 77 Ca -0.06 -2.47 0.00 0.00 0.71 0.00 0.00 54.79 52.97 2joe n ASP 77 Cb 0.57 -1.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.28 2joe n ASP 77 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 2joe n THR 78 N 3.55 0.00 -3.67 -3.53 5.66 -1.26 -4.86 114.28 110.17 2joe n THR 78 Ca 0.63 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 61.50 2joe n THR 78 Cb 0.31 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.02 2joe n THR 78 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 2joe s TYR 79 N -0.75 -0.29 -0.13 1.09 -0.85 -1.04 -1.99 117.35 113.40 2joe s TYR 79 Ca 0.00 0.33 0.02 0.00 -0.52 0.00 0.00 57.07 56.90 2joe s TYR 79 Cb 0.00 0.21 -0.00 0.00 0.38 0.00 0.00 41.96 42.55 2joe s TYR 79 CO 0.00 -0.53 -0.18 0.00 -1.52 0.00 0.00 175.55 173.31 2joe s ALA 80 N -2.08 2.39 -0.43 9.51 0.00 0.22 -1.32 121.76 130.04 2joe s ALA 80 Ca -0.08 -1.00 -0.16 0.00 0.00 0.00 0.00 51.96 50.72 2joe s ALA 80 Cb -0.02 -1.07 0.03 0.00 0.00 0.00 0.00 23.12 22.07 2joe s ALA 80 CO 0.00 0.12 0.37 -1.14 0.00 0.00 0.00 175.76 175.12 2joe s GLN 81 N 0.58 3.01 -1.13 0.00 0.74 0.80 -0.77 119.66 122.90 2joe s GLN 81 Ca -0.11 -1.01 -0.19 0.00 0.05 0.00 0.00 55.36 54.10 2joe s GLN 81 Cb -0.16 -4.01 0.10 0.00 1.10 0.00 0.00 33.01 30.03 2joe s GLN 81 CO 0.03 -0.86 1.47 -2.00 -0.55 0.00 0.00 175.29 173.39 2joe s GLU 82 N 1.85 3.82 -0.69 1.67 2.12 0.06 -1.97 118.70 125.55 2joe s GLU 82 Ca 0.07 -1.81 -0.27 0.00 0.36 0.00 0.00 54.97 53.33 2joe s GLU 82 Cb -0.20 -5.27 0.03 0.00 0.26 0.00 0.00 34.13 28.96 2joe s GLU 82 CO 0.10 -2.05 1.22 1.21 -0.54 0.00 0.00 175.26 175.20 2joe s ASN 83 N 4.06 6.23 0.04 -1.70 3.84 -0.63 -0.56 114.94 126.23 2joe s ASN 83 Ca 0.45 -0.37 0.03 0.00 0.21 0.00 0.00 52.86 53.18 2joe s ASN 83 Cb -0.00 -2.54 -0.04 0.00 -0.55 0.00 0.00 41.25 38.12 2joe s ASN 83 CO -0.02 -1.70 0.02 -0.69 -2.79 0.00 0.00 177.10 171.91 2joe s VAL 84 N 5.34 4.19 -0.22 -5.21 1.01 -0.23 -0.01 120.40 125.26 2joe s VAL 84 Ca 0.35 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 2joe s VAL 84 Cb -0.09 -2.94 0.09 0.00 0.00 0.00 0.00 36.38 33.45 2joe s VAL 84 CO 0.17 0.25 0.18 -0.89 0.00 0.00 0.00 175.10 174.81 2joe s THR 85 N -1.21 -0.22 -0.43 3.92 2.01 0.62 0.23 115.64 120.54 2joe s THR 85 Ca 0.23 -0.31 -0.16 0.00 0.31 0.00 0.00 61.69 61.76 2joe s THR 85 Cb -0.12 -0.75 0.03 0.00 0.01 0.00 0.00 72.50 71.67 2joe s THR 85 CO 0.15 -0.37 0.40 -0.63 -0.69 0.00 0.00 174.62 173.48 2joe s ILE 86 N 2.23 5.15 -0.11 1.82 1.01 0.72 -0.17 121.20 131.85 2joe s ILE 86 Ca 0.06 -0.58 -0.30 0.00 0.00 0.00 0.00 60.65 59.84 2joe s ILE 86 Cb -0.16 -4.04 -0.03 0.00 0.01 0.00 0.00 42.46 38.25 2joe s ILE 86 CO -0.19 -0.45 1.28 -0.62 0.00 0.00 0.00 174.94 174.96 2joe s ASP 87 N 1.98 6.95 -0.17 3.58 -1.08 0.08 -0.22 116.67 127.79 2joe s ASP 87 Ca 0.09 1.80 0.07 0.00 -0.52 0.00 0.00 52.55 53.98 2joe s ASP 87 Cb -0.19 -2.55 0.45 0.00 -1.46 0.00 0.00 42.92 39.18 2joe s ASP 87 CO 0.11 -0.71 1.31 0.23 0.52 0.00 0.00 175.17 176.62 2joe n MET 88 N 6.12 2.86 -0.00 4.34 2.81 0.82 -3.07 117.12 131.00 2joe n MET 88 Ca 0.13 -1.81 0.03 0.00 -1.81 0.00 0.00 57.70 54.24 2joe n MET 88 Cb 0.45 -1.88 -0.04 0.00 -0.71 0.00 0.00 33.22 31.04 2joe n MET 88 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2joe n GLU 89 N 0.15 0.23 -0.00 0.03 1.02 -1.26 -4.65 120.64 116.15 2joe n GLU 89 Ca 0.21 -0.05 0.03 0.00 -0.02 0.00 0.00 57.16 57.33 2joe n GLU 89 Cb 0.90 -1.13 -0.04 0.00 -0.02 0.00 0.00 31.44 31.16 2joe n GLU 89 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2joe n LYS 90 N -1.69 3.92 -1.85 3.49 4.81 -1.23 -5.04 118.16 120.57 2joe n LYS 90 Ca -0.01 -0.01 -0.41 0.00 -0.87 0.00 0.00 58.31 57.01 2joe n LYS 90 Cb 0.14 -0.87 -0.01 0.00 0.02 0.00 0.00 35.03 34.31 2joe n LYS 90 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2joe s VAL 91 N -1.77 2.19 -0.46 3.15 -7.23 -1.17 -4.62 120.40 110.48 2joe s VAL 91 Ca 0.01 0.17 -0.13 0.00 -1.81 0.00 0.00 61.98 60.23 2joe s VAL 91 Cb 0.05 -3.11 0.08 0.00 0.56 0.00 0.00 36.38 33.96 2joe s VAL 91 CO 0.26 0.04 0.36 1.51 -0.31 0.00 0.00 175.10 176.95 2joe s ASP 92 N 0.11 5.97 0.25 4.85 -4.77 -1.26 -4.95 116.67 116.87 2joe s ASP 92 Ca 0.57 -1.47 0.19 0.00 -3.30 0.00 0.00 52.55 48.54 2joe s ASP 92 Cb -0.46 -2.11 0.95 0.00 -1.09 0.00 0.00 42.92 40.21 2joe s ASP 92 CO 0.54 -0.64 1.58 0.49 0.70 0.00 0.00 175.17 177.85 2joe n PHE 93 N 5.10 0.63 -0.19 2.11 3.01 -1.26 -1.84 117.46 125.02 2joe n PHE 93 Ca -0.12 0.30 -0.05 0.00 1.01 0.00 0.00 57.45 58.59 2joe n PHE 93 Cb 0.43 -0.98 0.12 0.00 -0.01 0.00 0.00 39.48 39.04 2joe n PHE 93 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 2joe h LYS 94 N 0.00 0.97 0.00 -1.08 2.10 -1.98 -0.48 116.57 116.10 2joe h LYS 94 Ca 0.00 -0.22 -0.24 0.00 -2.00 0.00 0.00 60.65 58.19 2joe h LYS 94 Cb 0.11 -0.14 -0.04 0.00 -0.90 0.00 0.00 32.23 31.26 2joe h LYS 94 CO 0.00 0.87 -1.50 0.00 -2.00 0.00 0.00 179.45 176.82 2joe h ALA 95 N 1.23 0.69 -0.12 0.07 0.00 -1.80 -3.33 119.26 115.99 2joe h ALA 95 Ca 0.20 -1.20 0.03 0.00 0.00 0.00 0.00 54.91 53.94 2joe h ALA 95 Cb 0.34 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2joe h ALA 95 CO 0.00 1.33 0.09 1.25 0.00 0.00 0.00 179.25 181.92 2joe h LEU 96 N 0.00 0.00 -1.20 0.00 5.85 -1.04 -1.94 115.31 116.97 2joe h LEU 96 Ca -0.21 -0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.62 2joe h LEU 96 Cb 1.85 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.81 2joe h LEU 96 CO 0.08 0.00 0.58 -0.61 -0.34 0.00 0.00 178.44 178.15 2joe h GLN 97 N 0.00 0.83 0.00 1.25 4.15 -1.21 0.87 115.11 121.01 2joe h GLN 97 Ca 0.06 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2joe h GLN 97 Cb 0.22 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.72 2joe h GLN 97 CO -0.00 0.55 -0.33 0.78 -1.93 0.00 0.00 178.83 177.90 2joe h GLY 98 N 0.86 0.00 -3.87 2.39 0.00 -1.58 -3.34 103.07 97.53 2joe h GLY 98 Ca 0.42 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 47.36 2joe h GLY 98 CO -0.19 0.00 -0.88 0.29 0.00 0.00 0.00 176.54 175.77 2joe n ILE 99 N -2.73 2.05 -2.16 2.60 -5.35 -0.49 -5.02 119.36 108.26 2joe n ILE 99 Ca 0.03 -3.63 -0.39 0.00 -0.27 0.00 0.00 62.75 58.49 2joe n ILE 99 Cb 0.51 -0.30 -0.03 0.00 -1.74 0.00 0.00 39.64 38.07 2joe n ILE 99 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2joe s SER 100 N -3.54 5.51 0.00 7.28 0.01 0.18 -4.79 113.70 118.34 2joe s SER 100 Ca 0.43 0.20 0.16 0.00 1.31 0.00 0.00 55.95 58.05 2joe s SER 100 Cb 0.38 -2.54 0.77 0.00 0.21 0.00 0.00 66.02 64.85 2joe s SER 100 CO -0.00 -2.22 1.47 0.61 0.41 0.00 0.00 173.24 173.51 2joe n GLY 101 N 5.61 -0.88 3.56 3.44 0.00 -1.26 -4.46 105.19 111.19 2joe n GLY 101 Ca 0.17 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 2joe n GLY 101 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2joe s ILE 102 N -2.70 3.82 -1.49 -0.61 1.01 -1.26 -4.89 121.20 115.09 2joe s ILE 102 Ca 0.13 -0.78 -0.12 0.00 0.00 0.00 0.00 60.65 59.88 2joe s ILE 102 Cb 0.11 -4.82 0.02 0.00 0.01 0.00 0.00 42.46 37.77 2joe s ILE 102 CO 0.26 -1.70 2.41 -3.20 0.00 0.00 0.00 174.94 172.70 2joe n ASN 103 N 10.13 5.37 0.00 3.58 2.85 -1.26 -4.11 115.26 131.81 2joe n ASN 103 Ca 0.36 -2.79 0.00 0.00 -0.11 0.00 0.00 54.58 52.04 2joe n ASN 103 Cb 0.50 -1.61 0.00 0.00 1.24 0.00 0.00 39.78 39.90 2joe n ASN 103 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 2joe n VAL 104 N 4.49 0.00 -4.02 3.44 0.31 -1.26 -5.01 118.33 116.28 2joe n VAL 104 Ca 0.59 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.77 2joe n VAL 104 Cb 0.34 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.13 2joe n VAL 104 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2joe s SER 105 N -1.37 0.35 -0.04 4.52 0.01 -1.26 -5.05 113.70 110.86 2joe s SER 105 Ca 0.00 -0.05 0.12 0.00 1.31 0.00 0.00 55.95 57.33 2joe s SER 105 Cb 0.00 -0.06 -0.23 0.00 0.21 0.00 0.00 66.02 65.94 2joe s SER 105 CO 0.00 0.02 0.66 0.00 0.41 0.00 0.00 173.24 174.33 2joe h ALA 106 N 6.21 0.75 0.00 1.44 0.00 -2.01 -3.35 119.26 122.30 2joe h ALA 106 Ca -0.28 -1.46 0.00 0.00 0.00 0.00 0.00 54.91 53.17 2joe h ALA 106 Cb 1.19 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.47 2joe h ALA 106 CO 0.50 1.57 0.00 0.39 0.00 0.00 0.00 179.25 181.71 2joe n GLU 107 N -3.07 0.65 0.07 0.00 1.02 -1.26 -2.14 120.64 115.91 2joe n GLU 107 Ca -0.17 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 56.89 2joe n GLU 107 Cb 1.05 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 31.03 2joe n GLU 107 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2joe h ASP 108 N 0.00 0.36 0.75 1.62 3.58 -2.00 -2.93 116.42 117.81 2joe h ASP 108 Ca 0.00 -0.23 -0.03 0.00 0.42 0.00 0.00 57.03 57.19 2joe h ASP 108 Cb 0.17 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.11 2joe h ASP 108 CO 0.00 0.94 -0.12 0.00 -2.88 0.00 0.00 179.24 177.18 2joe h ALA 109 N 1.05 1.08 -0.40 -0.78 0.00 -1.66 0.16 119.26 118.71 2joe h ALA 109 Ca -0.02 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 2joe h ALA 109 Cb 1.24 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2joe h ALA 109 CO 0.11 0.15 -0.18 0.87 0.00 0.00 0.00 179.25 180.20 2joe h LYS 110 N 0.00 0.75 0.02 0.00 1.57 -1.60 -3.27 116.57 114.05 2joe h LYS 110 Ca -0.00 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2joe h LYS 110 Cb 0.53 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2joe h LYS 110 CO 0.02 0.88 -0.01 0.87 -0.57 0.00 0.00 179.45 180.64 2joe h LYS 111 N 0.67 -0.03 0.00 3.15 1.79 -1.35 -3.50 116.57 117.29 2joe h LYS 111 Ca 0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 2joe h LYS 111 Cb 0.67 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 2joe h LYS 111 CO 0.05 0.60 0.00 0.41 -1.08 0.00 0.00 179.45 179.43 2joe n GLY 112 N 1.47 3.25 3.65 3.86 0.00 -0.04 -5.07 105.19 112.31 2joe n GLY 112 Ca -0.07 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 2joe n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2joe s ILE 113 N 0.00 3.23 0.36 -0.61 1.09 -1.26 -4.94 121.20 119.08 2joe s ILE 113 Ca 0.00 0.28 0.04 0.00 -1.10 0.00 0.00 60.65 59.86 2joe s ILE 113 Cb 0.00 -3.20 -0.05 0.00 -1.06 0.00 0.00 42.46 38.15 2joe s ILE 113 CO 0.00 -0.04 0.07 0.42 -0.10 0.00 0.00 174.94 175.29 2joe s THR 114 N 4.79 1.06 0.11 2.92 -4.23 -1.26 -4.48 115.64 114.56 2joe s THR 114 Ca 0.84 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 59.20 2joe s THR 114 Cb -0.38 -2.65 -0.05 0.00 1.34 0.00 0.00 72.50 70.77 2joe s THR 114 CO 0.36 0.00 1.52 -0.03 -0.54 0.00 0.00 174.62 175.93 2joe h MET 115 N 1.98 0.67 -0.79 3.99 4.05 -1.01 -1.00 114.93 122.82 2joe h MET 115 Ca -0.40 -0.25 0.10 0.00 -0.28 0.00 0.00 59.70 58.88 2joe h MET 115 Cb 1.26 -0.04 -0.08 0.00 -0.80 0.00 0.00 31.60 31.94 2joe h MET 115 CO 0.67 0.83 0.42 0.00 0.23 0.00 0.00 176.91 179.06 2joe h ALA 116 N 0.82 1.12 0.57 0.39 0.00 -1.93 -1.49 119.26 118.74 2joe h ALA 116 Ca 0.09 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2joe h ALA 116 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2joe h ALA 116 CO 0.03 0.01 -0.30 1.96 0.00 0.00 0.00 179.25 180.95 2joe h GLN 117 N 0.69 -0.76 -0.98 0.00 7.50 -1.85 -2.77 115.11 116.93 2joe h GLN 117 Ca 0.39 0.05 0.31 0.00 0.50 0.00 0.00 58.65 59.90 2joe h GLN 117 Cb 0.42 0.17 -0.15 0.00 0.05 0.00 0.00 27.48 27.98 2joe h GLN 117 CO -0.28 -0.51 0.49 0.52 -1.50 0.00 0.00 178.83 177.55 2joe h MET 118 N -0.79 0.27 0.74 1.46 2.86 -0.84 0.45 114.93 119.08 2joe h MET 118 Ca -0.08 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.51 2joe h MET 118 Cb 0.62 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.22 2joe h MET 118 CO 0.11 0.18 -0.36 0.93 1.06 0.00 0.00 176.91 178.84 2joe h GLU 119 N 0.28 -0.96 0.00 1.72 4.39 -1.22 -0.99 114.58 117.79 2joe h GLU 119 Ca 0.70 0.07 -0.13 0.00 0.34 0.00 0.00 59.36 60.34 2joe h GLU 119 Cb 1.58 0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 30.43 2joe h GLU 119 CO -0.63 -0.62 -0.60 -0.07 -1.16 0.00 0.00 179.01 175.93 2joe h LEU 120 N -1.08 0.00 -0.07 1.33 4.07 -0.99 -2.19 115.31 116.39 2joe h LEU 120 Ca -0.10 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.79 2joe h LEU 120 Cb 0.78 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.52 2joe h LEU 120 CO 0.17 0.60 -0.21 0.58 -1.08 0.00 0.00 178.44 178.49 2joe h VAL 121 N 0.00 1.43 0.00 1.22 2.07 -0.18 -1.81 116.25 118.98 2joe h VAL 121 Ca -0.01 -1.60 -0.07 0.00 0.82 0.00 0.00 66.70 65.85 2joe h VAL 121 Cb 1.28 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 33.34 2joe h VAL 121 CO 0.08 0.45 -0.34 0.24 0.02 0.00 0.00 177.57 178.02 2joe h MET 122 N -0.24 0.00 -0.43 1.57 2.86 -1.23 -2.22 114.93 115.23 2joe h MET 122 Ca -0.01 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 2joe h MET 122 Cb 0.84 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.48 2joe h MET 122 CO 0.05 0.34 0.10 -0.22 1.06 0.00 0.00 176.91 178.23 2joe h LYS 123 N 0.00 0.65 -0.16 1.72 3.64 -1.22 -0.84 116.57 120.36 2joe h LYS 123 Ca -0.00 -0.12 -0.20 0.00 -1.27 0.00 0.00 60.65 59.06 2joe h LYS 123 Cb 0.78 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 2joe h LYS 123 CO 0.04 0.60 -0.69 0.00 -2.27 0.00 0.00 179.45 177.14 2joe h ALA 124 N 1.48 0.48 -0.01 5.00 0.00 -0.73 -3.12 119.26 122.36 2joe h ALA 124 Ca 0.14 -0.57 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 2joe h ALA 124 Cb 0.25 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2joe h ALA 124 CO -0.00 0.71 -0.51 0.00 0.00 0.00 0.00 179.25 179.45 2joe h ALA 125 N 0.76 1.14 -0.08 0.00 0.00 -1.23 -3.47 119.26 116.38 2joe h ALA 125 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2joe h ALA 125 Cb 1.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2joe h ALA 125 CO 0.13 0.64 0.00 0.41 0.00 0.00 0.00 179.25 180.43 2joe n GLY 126 N -0.06 1.34 3.81 0.00 0.00 -0.46 -5.08 105.19 104.74 2joe n GLY 126 Ca -0.01 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 2joe n GLY 126 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2joe s PHE 127 N -2.08 3.77 -0.21 1.61 0.08 -0.45 -5.04 117.98 115.66 2joe s PHE 127 Ca 0.00 1.21 -0.11 0.00 0.12 0.00 0.00 56.93 58.15 2joe s PHE 127 Cb 0.00 -2.47 -0.05 0.00 -0.57 0.00 0.00 43.02 39.93 2joe s PHE 127 CO 0.00 0.56 0.18 0.21 -0.10 0.00 0.00 175.22 176.07 2joe s LYS 128 N -0.96 4.14 -0.20 0.44 2.20 -1.26 -4.66 119.74 119.44 2joe s LYS 128 Ca 0.28 -0.18 -0.21 0.00 -0.36 0.00 0.00 55.97 55.50 2joe s LYS 128 Cb -0.19 -3.48 -0.02 0.00 -1.51 0.00 0.00 37.83 32.63 2joe s LYS 128 CO 0.18 0.16 0.66 -1.83 -0.36 0.00 0.00 175.35 174.16 2joe s GLU 129 N 0.76 4.22 0.10 4.03 4.04 -1.26 -2.11 118.70 128.48 2joe s GLU 129 Ca 0.09 0.68 0.23 0.00 0.04 0.00 0.00 54.97 56.01 2joe s GLU 129 Cb -0.13 -3.58 0.03 0.00 0.02 0.00 0.00 34.13 30.48 2joe s GLU 129 CO 0.02 -0.26 1.02 0.28 -1.84 0.00 0.00 175.26 174.48 2joe n VAL 130 N 4.73 0.33 -4.57 1.83 0.31 0.18 -4.94 118.33 116.20 2joe n VAL 130 Ca -0.00 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 2joe n VAL 130 Cb 0.49 -0.04 -0.00 0.00 -0.91 0.00 0.00 33.84 33.38 2joe n VAL 130 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2joe n LYS 131 N -2.25 -0.06 -3.14 5.55 5.02 -0.61 -4.86 118.16 117.81 2joe n LYS 131 Ca 0.01 0.04 0.03 0.00 -2.02 0.00 0.00 58.31 56.37 2joe n LYS 131 Cb 0.49 -0.07 -0.00 0.00 -0.02 0.00 0.00 35.03 35.42 2joe n LYS 131 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2joe s LEU 132 N 0.00 -1.36 0.36 -0.35 2.96 -1.17 -3.19 118.68 115.93 2joe s LEU 132 Ca 0.00 -0.23 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 2joe s LEU 132 Cb 0.00 1.79 -0.05 0.00 0.50 0.00 0.00 46.19 48.43 2joe s LEU 132 CO 0.00 -0.20 0.07 -1.61 -1.32 0.00 0.00 176.35 173.29 2joe s GLU 133 N 2.39 1.76 -0.41 1.98 2.02 -1.26 -4.67 118.70 120.50 2joe s GLU 133 Ca 0.15 -2.01 -0.28 0.00 0.02 0.00 0.00 54.97 52.84 2joe s GLU 133 Cb -0.06 -0.83 -0.00 0.00 0.10 0.00 0.00 34.13 33.34 2joe s GLU 133 CO -0.17 -0.28 1.58 -1.01 0.02 0.00 0.00 175.26 175.40 2joe s HIS 134 N -3.25 2.12 -0.13 1.61 3.76 -1.26 -4.81 115.29 113.34 2joe s HIS 134 Ca 0.31 0.64 0.20 0.00 -0.15 0.00 0.00 55.06 56.07 2joe s HIS 134 Cb 0.07 -4.24 -0.20 0.00 1.11 0.00 0.00 32.58 29.31 2joe s HIS 134 CO 0.15 -2.35 0.63 0.72 -0.85 0.00 0.00 174.74 173.03 2joe n HIS 135 N 9.70 0.46 -3.16 1.40 8.25 -1.26 -4.67 115.22 125.94 2joe n HIS 135 Ca 0.19 0.14 -0.46 0.00 -0.26 0.00 0.00 57.72 57.33 2joe n HIS 135 Cb 0.48 -0.82 -0.03 0.00 1.12 0.00 0.00 29.99 30.74 2joe n HIS 135 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2joe s HIS 136 N -3.18 3.40 -0.30 4.41 3.76 -1.26 -4.96 115.29 117.16 2joe s HIS 136 Ca -0.05 -1.60 -0.02 0.00 -0.15 0.00 0.00 55.06 53.24 2joe s HIS 136 Cb 0.10 -4.01 0.12 0.00 1.11 0.00 0.00 32.58 29.91 2joe s HIS 136 CO 0.85 -1.21 0.24 -1.58 -0.85 0.00 0.00 174.74 172.18 2joe s HIS 137 N 1.47 -0.12 0.28 1.40 5.04 -1.26 -5.12 115.29 116.97 2joe s HIS 137 Ca 0.21 -0.52 -0.04 0.00 -1.54 0.00 0.00 55.06 53.17 2joe s HIS 137 Cb -0.11 -0.64 -0.01 0.00 0.04 0.00 0.00 32.58 31.86 2joe s HIS 137 CO -0.06 -0.89 0.37 -3.38 -2.34 0.00 0.00 174.74 168.44 2joe s HIS 138 N 2.17 0.93 -2.71 3.88 -3.43 -1.26 -5.23 115.29 109.65 2joe s HIS 138 Ca 0.10 -1.17 0.26 0.00 -0.80 0.00 0.00 55.06 53.45 2joe s HIS 138 Cb -0.15 -0.17 0.69 0.00 -1.43 0.00 0.00 32.58 31.52 2joe s HIS 138 CO -0.32 -0.94 1.54 1.58 -2.00 0.00 0.00 174.74 174.60