#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2joe s GLY 2 N 0.00 -0.20 0.54 3.03 0.00 -1.26 -5.16 107.32 104.27 2joe s GLY 2 Ca 0.00 0.65 -0.16 0.00 0.00 0.00 0.00 44.72 45.22 2joe s GLY 2 CO 0.00 0.48 1.00 -0.35 0.00 0.00 0.00 173.10 174.24 2joe s ASP 3 N -0.54 6.44 -0.86 1.64 2.15 -1.26 -4.96 116.67 119.27 2joe s ASP 3 Ca -0.06 1.59 -0.21 0.00 0.43 0.00 0.00 52.55 54.29 2joe s ASP 3 Cb -0.04 -2.51 0.09 0.00 -0.30 0.00 0.00 42.92 40.16 2joe s ASP 3 CO 0.02 -0.72 1.16 -0.54 -0.17 0.00 0.00 175.17 174.93 2joe s LYS 4 N -4.22 3.43 -0.03 4.34 3.01 -1.26 -4.53 119.74 120.48 2joe s LYS 4 Ca 0.59 -1.25 -0.02 0.00 -1.01 0.00 0.00 55.97 54.28 2joe s LYS 4 Cb -0.11 -4.77 0.01 0.00 -1.01 0.00 0.00 37.83 31.95 2joe s LYS 4 CO 0.35 -1.91 0.04 -1.91 0.51 0.00 0.00 175.35 172.44 2joe n GLU 5 N 7.59 -2.67 -4.36 1.68 2.13 -1.26 -5.06 120.64 118.70 2joe n GLU 5 Ca 0.17 2.19 -0.20 0.00 0.66 0.00 0.00 57.16 59.98 2joe n GLU 5 Cb 0.48 -2.89 -0.13 0.00 0.27 0.00 0.00 31.44 29.17 2joe n GLU 5 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2joe s GLU 6 N -1.13 0.93 -0.18 5.31 2.12 -0.15 -4.96 118.70 120.64 2joe s GLU 6 Ca -0.05 -0.74 -0.13 0.00 0.36 0.00 0.00 54.97 54.40 2joe s GLU 6 Cb 0.00 -0.93 -0.05 0.00 0.26 0.00 0.00 34.13 33.42 2joe s GLU 6 CO 0.14 0.23 0.27 0.45 -0.54 0.00 0.00 175.26 175.81 2joe s SER 7 N -1.10 6.38 -0.42 -1.70 0.15 -1.26 -0.68 113.70 115.07 2joe s SER 7 Ca 0.01 0.44 -0.02 0.00 0.70 0.00 0.00 55.95 57.08 2joe s SER 7 Cb -0.08 -2.17 0.11 0.00 -1.71 0.00 0.00 66.02 62.18 2joe s SER 7 CO 0.01 0.09 0.21 -0.75 1.20 0.00 0.00 173.24 174.00 2joe s LYS 8 N 0.60 2.00 -0.45 5.44 2.47 0.43 -4.69 119.74 125.54 2joe s LYS 8 Ca 0.15 -1.89 -0.18 0.00 -1.56 0.00 0.00 55.97 52.49 2joe s LYS 8 Cb -0.13 -3.56 0.03 0.00 -1.46 0.00 0.00 37.83 32.71 2joe s LYS 8 CO 0.04 -1.07 0.51 0.21 0.16 0.00 0.00 175.35 175.20 2joe s LYS 9 N 1.02 3.13 0.15 4.03 2.20 -1.26 -1.85 119.74 127.15 2joe s LYS 9 Ca 0.09 -0.75 0.09 0.00 -0.36 0.00 0.00 55.97 55.04 2joe s LYS 9 Cb -0.22 -4.00 -0.04 0.00 -1.51 0.00 0.00 37.83 32.05 2joe s LYS 9 CO -0.04 -0.97 -0.14 -0.59 -0.36 0.00 0.00 175.35 173.24 2joe s PHE 10 N 2.34 2.57 -0.13 4.03 -0.12 -0.66 -0.71 117.98 125.29 2joe s PHE 10 Ca 0.14 -0.25 -0.07 0.00 -0.05 0.00 0.00 56.93 56.71 2joe s PHE 10 Cb -0.17 -1.30 0.05 0.00 -0.63 0.00 0.00 43.02 40.96 2joe s PHE 10 CO 0.14 0.46 0.31 0.45 -0.05 0.00 0.00 175.22 176.52 2joe s SER 11 N -2.50 -0.35 -0.21 1.98 0.15 0.02 -0.65 113.70 112.14 2joe s SER 11 Ca 0.21 0.66 0.01 0.00 0.70 0.00 0.00 55.95 57.53 2joe s SER 11 Cb -0.10 0.54 0.05 0.00 -1.71 0.00 0.00 66.02 64.80 2joe s SER 11 CO 0.13 -0.17 -0.07 0.00 1.20 0.00 0.00 173.24 174.32 2joe s ALA 12 N 1.29 1.88 -0.60 5.45 0.00 0.61 -4.08 121.76 126.31 2joe s ALA 12 Ca -0.09 -1.18 -0.26 0.00 0.00 0.00 0.00 51.96 50.42 2joe s ALA 12 Cb -0.10 -1.30 0.04 0.00 0.00 0.00 0.00 23.12 21.76 2joe s ALA 12 CO -0.10 -0.95 1.11 1.21 0.00 0.00 0.00 175.76 177.03 2joe s ASN 13 N 1.45 6.36 0.79 0.00 3.04 -1.26 -1.79 114.94 123.53 2joe s ASN 13 Ca -0.03 -0.17 -0.09 0.00 0.04 0.00 0.00 52.86 52.61 2joe s ASN 13 Cb -0.17 -2.51 0.12 0.00 -1.54 0.00 0.00 41.25 37.15 2joe s ASN 13 CO -0.07 -1.45 1.12 -0.76 -3.04 0.00 0.00 177.10 172.90 2joe s LEU 14 N 4.69 2.80 -0.56 3.21 1.43 0.69 -4.92 118.68 126.02 2joe s LEU 14 Ca 0.37 0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 53.64 2joe s LEU 14 Cb -0.10 -2.62 -0.16 0.00 0.03 0.00 0.00 46.19 43.34 2joe s LEU 14 CO 0.21 -2.03 2.92 0.59 0.23 0.00 0.00 176.35 178.27 2joe n ASN 15 N -3.19 5.59 0.00 2.29 3.02 -1.26 -3.75 115.26 117.96 2joe n ASN 15 Ca 0.12 -2.38 0.00 0.00 -0.03 0.00 0.00 54.58 52.29 2joe n ASN 15 Cb 0.60 -1.27 0.00 0.00 -0.61 0.00 0.00 39.78 38.51 2joe n ASN 15 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2joe n GLY 16 N 3.02 -0.11 3.49 7.41 0.00 -1.26 -5.05 105.19 112.69 2joe n GLY 16 Ca 0.48 0.19 -0.31 0.00 0.00 0.00 0.00 46.02 46.38 2joe n GLY 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2joe s THR 17 N 0.00 2.95 -0.46 2.61 -4.23 -1.25 -3.60 115.64 111.66 2joe s THR 17 Ca 0.00 -1.18 -0.11 0.00 -1.18 0.00 0.00 61.69 59.22 2joe s THR 17 Cb 0.00 -2.27 0.10 0.00 1.34 0.00 0.00 72.50 71.67 2joe s THR 17 CO 0.00 0.30 0.34 -1.61 -0.54 0.00 0.00 174.62 173.10 2joe s GLU 18 N -1.59 2.63 -0.30 3.99 2.02 0.32 -0.22 118.70 125.54 2joe s GLU 18 Ca 0.16 -1.61 -0.13 0.00 0.02 0.00 0.00 54.97 53.41 2joe s GLU 18 Cb -0.11 -3.94 -0.04 0.00 0.10 0.00 0.00 34.13 30.15 2joe s GLU 18 CO 0.07 -1.11 0.28 0.42 0.02 0.00 0.00 175.26 174.93 2joe s ILE 19 N 1.44 5.25 -0.32 -1.63 1.01 -0.74 -0.27 121.20 125.94 2joe s ILE 19 Ca 0.04 0.21 -0.01 0.00 0.00 0.00 0.00 60.65 60.89 2joe s ILE 19 Cb -0.25 -3.65 0.07 0.00 0.01 0.00 0.00 42.46 38.63 2joe s ILE 19 CO 0.01 0.13 0.03 0.00 0.00 0.00 0.00 174.94 175.12 2joe s ALA 20 N 1.88 2.86 -0.39 9.38 0.00 -0.13 -0.29 121.76 135.09 2joe s ALA 20 Ca 0.10 -2.00 -0.07 0.00 0.00 0.00 0.00 51.96 49.99 2joe s ALA 20 Cb -0.16 -2.00 0.07 0.00 0.00 0.00 0.00 23.12 21.03 2joe s ALA 20 CO 0.11 -1.41 0.19 0.42 0.00 0.00 0.00 175.76 175.07 2joe s ILE 21 N 1.18 3.91 -0.65 0.00 1.01 0.18 -0.29 121.20 126.54 2joe s ILE 21 Ca -0.01 -1.41 -0.11 0.00 0.00 0.00 0.00 60.65 59.12 2joe s ILE 21 Cb -0.20 -3.37 0.17 0.00 0.01 0.00 0.00 42.46 39.06 2joe s ILE 21 CO -0.03 -0.41 0.55 -0.89 0.00 0.00 0.00 174.94 174.16 2joe s THR 22 N 1.37 4.85 -0.20 2.92 2.01 0.13 -1.66 115.64 125.07 2joe s THR 22 Ca 0.02 -2.20 -0.08 0.00 0.31 0.00 0.00 61.69 59.74 2joe s THR 22 Cb -0.22 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 2joe s THR 22 CO 0.01 -0.91 0.07 -0.72 -0.69 0.00 0.00 174.62 172.39 2joe s TYR 23 N 0.70 3.23 -0.19 4.92 1.13 -0.77 -1.04 117.35 125.33 2joe s TYR 23 Ca 0.12 0.02 -0.15 0.00 -1.41 0.00 0.00 57.07 55.65 2joe s TYR 23 Cb -0.20 -2.12 -0.04 0.00 -1.10 0.00 0.00 41.96 38.50 2joe s TYR 23 CO -0.04 0.07 0.35 0.08 -2.51 0.00 0.00 175.55 173.50 2joe s VAL 24 N 0.62 5.25 0.06 -3.49 1.01 0.12 -0.43 120.40 123.54 2joe s VAL 24 Ca 0.04 0.62 0.09 0.00 0.00 0.00 0.00 61.98 62.73 2joe s VAL 24 Cb -0.13 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 2joe s VAL 24 CO 0.01 0.31 -0.23 -0.72 0.00 0.00 0.00 175.10 174.47 2joe s TYR 25 N 0.97 2.41 -0.50 5.22 1.13 0.15 -1.27 117.35 125.45 2joe s TYR 25 Ca 0.18 -0.35 0.02 0.00 -1.41 0.00 0.00 57.07 55.50 2joe s TYR 25 Cb -0.14 -1.39 0.13 0.00 -1.10 0.00 0.00 41.96 39.46 2joe s TYR 25 CO 0.06 0.21 0.26 0.21 -2.51 0.00 0.00 175.55 173.78 2joe s LYS 26 N -1.46 2.02 6.50 -3.49 2.20 0.85 -0.98 119.74 125.39 2joe s LYS 26 Ca 0.13 -2.39 0.00 0.00 -0.36 0.00 0.00 55.97 53.35 2joe s LYS 26 Cb -0.10 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 32.80 2joe s LYS 26 CO 0.04 -1.09 0.00 0.41 -0.36 0.00 0.00 175.35 174.35 2joe n GLY 27 N 3.54 1.98 1.07 5.54 0.00 -1.26 -3.41 105.19 112.65 2joe n GLY 27 Ca 0.05 -0.58 0.12 0.00 0.00 0.00 0.00 46.02 45.60 2joe n GLY 27 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2joe n ASP 28 N 7.41 3.24 -4.21 1.61 5.75 -1.26 -4.90 116.55 124.19 2joe n ASP 28 Ca 0.00 -1.98 -0.30 0.00 -0.01 0.00 0.00 54.79 52.50 2joe n ASP 28 Cb 0.00 -0.17 -0.17 0.00 -1.03 0.00 0.00 41.12 39.75 2joe n ASP 28 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2joe s LYS 29 N -1.65 2.50 0.03 0.11 2.20 -1.22 -3.00 119.74 118.70 2joe s LYS 29 Ca 0.36 -0.81 -0.26 0.00 -0.36 0.00 0.00 55.97 54.90 2joe s LYS 29 Cb 0.22 -2.04 -0.05 0.00 -1.51 0.00 0.00 37.83 34.45 2joe s LYS 29 CO 0.31 0.27 0.79 0.08 -0.36 0.00 0.00 175.35 176.44 2joe s VAL 30 N 0.08 4.77 -0.00 4.02 1.01 -1.26 -0.10 120.40 128.92 2joe s VAL 30 Ca -0.09 1.68 0.00 0.00 0.00 0.00 0.00 61.98 63.57 2joe s VAL 30 Cb -0.15 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 2joe s VAL 30 CO 0.05 0.33 0.01 0.18 0.00 0.00 0.00 175.10 175.66 2joe n LEU 31 N 3.04 0.00 -3.60 3.92 4.77 -0.40 -4.75 117.00 119.99 2joe n LEU 31 Ca -0.01 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.83 2joe n LEU 31 Cb 0.50 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.47 2joe n LEU 31 CO 0.48 0.00 -0.14 -0.75 -1.33 0.00 0.00 177.39 175.65 2joe s LYS 32 N -2.02 0.17 -0.38 3.23 2.20 -0.98 -0.02 119.74 121.94 2joe s LYS 32 Ca -0.00 0.62 -0.07 0.00 -0.36 0.00 0.00 55.97 56.16 2joe s LYS 32 Cb 0.00 -0.31 0.06 0.00 -1.51 0.00 0.00 37.83 36.07 2joe s LYS 32 CO 0.01 -0.39 0.18 -1.14 -0.36 0.00 0.00 175.35 173.65 2joe s GLN 33 N 2.41 2.56 -0.59 4.03 0.74 0.63 0.11 119.66 129.55 2joe s GLN 33 Ca 0.03 -1.36 -0.22 0.00 0.05 0.00 0.00 55.36 53.87 2joe s GLN 33 Cb -0.13 -3.62 0.06 0.00 1.10 0.00 0.00 33.01 30.42 2joe s GLN 33 CO -0.10 -0.83 0.88 -1.12 -0.55 0.00 0.00 175.29 173.57 2joe s SER 34 N 1.75 6.23 -0.43 6.67 0.01 -0.20 -0.16 113.70 127.57 2joe s SER 34 Ca 0.01 -0.81 -0.09 0.00 1.31 0.00 0.00 55.95 56.37 2joe s SER 34 Cb -0.21 -2.39 0.09 0.00 0.21 0.00 0.00 66.02 63.72 2joe s SER 34 CO 0.02 -1.25 0.28 -0.55 0.41 0.00 0.00 173.24 172.15 2joe s SER 35 N 3.24 5.65 -0.37 2.44 0.15 0.11 0.21 113.70 125.14 2joe s SER 35 Ca 0.23 -1.64 -0.04 0.00 0.70 0.00 0.00 55.95 55.21 2joe s SER 35 Cb -0.16 -1.99 0.08 0.00 -1.71 0.00 0.00 66.02 62.24 2joe s SER 35 CO 0.13 -0.58 0.14 -0.70 1.20 0.00 0.00 173.24 173.43 2joe s GLU 36 N 1.40 2.24 -0.39 5.44 2.12 0.60 -1.11 118.70 129.01 2joe s GLU 36 Ca 0.04 -1.56 -0.13 0.00 0.36 0.00 0.00 54.97 53.67 2joe s GLU 36 Cb -0.24 -3.48 0.02 0.00 0.26 0.00 0.00 34.13 30.69 2joe s GLU 36 CO 0.01 -0.89 0.25 0.99 -0.54 0.00 0.00 175.26 175.08 2joe s THR 37 N 1.23 4.95 -0.48 -1.70 2.01 -0.35 -0.95 115.64 120.34 2joe s THR 37 Ca 0.03 -0.72 -0.24 0.00 0.31 0.00 0.00 61.69 61.07 2joe s THR 37 Cb -0.22 -3.74 0.03 0.00 0.01 0.00 0.00 72.50 68.58 2joe s THR 37 CO -0.02 -0.25 0.84 -0.75 -0.69 0.00 0.00 174.62 173.74 2joe s LYS 38 N 1.63 3.39 -0.25 4.92 2.20 0.63 -0.01 119.74 132.24 2joe s LYS 38 Ca 0.04 -0.14 -0.10 0.00 -0.36 0.00 0.00 55.97 55.41 2joe s LYS 38 Cb -0.19 -3.97 -0.05 0.00 -1.51 0.00 0.00 37.83 32.11 2joe s LYS 38 CO 0.08 -1.23 0.16 0.42 -0.36 0.00 0.00 175.35 174.43 2joe s ILE 39 N 3.49 5.26 0.43 5.43 1.01 0.47 -0.53 121.20 136.77 2joe s ILE 39 Ca 0.30 0.15 -0.22 0.00 0.00 0.00 0.00 60.65 60.88 2joe s ILE 39 Cb -0.12 -3.47 -0.09 0.00 0.01 0.00 0.00 42.46 38.78 2joe s ILE 39 CO 0.22 0.31 1.02 -1.10 0.00 0.00 0.00 174.94 175.39 2joe s GLN 40 N 1.35 4.09 0.54 2.79 -1.52 -1.24 -0.21 119.66 125.46 2joe s GLN 40 Ca 0.07 1.38 0.30 0.00 -1.95 0.00 0.00 55.36 55.16 2joe s GLN 40 Cb -0.15 -2.35 1.55 0.00 -0.22 0.00 0.00 33.01 31.84 2joe s GLN 40 CO 0.07 -0.19 2.10 0.74 -0.25 0.00 0.00 175.29 177.76 2joe h PHE 41 N 2.14 0.00 -0.52 0.91 0.04 -1.80 -2.78 116.94 114.92 2joe h PHE 41 Ca -0.49 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.20 2joe h PHE 41 Cb 1.21 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.34 2joe h PHE 41 CO 0.58 0.09 0.01 0.00 -0.60 0.00 0.00 178.31 178.39 2joe h ALA 42 N 1.91 1.03 0.00 2.45 0.00 -1.86 -0.02 119.26 122.77 2joe h ALA 42 Ca -0.00 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 54.45 2joe h ALA 42 Cb 0.31 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2joe h ALA 42 CO 0.01 0.60 -1.10 0.66 0.00 0.00 0.00 179.25 179.43 2joe h SER 43 N 0.82 0.00 0.91 0.00 4.64 -1.81 -3.30 113.55 114.81 2joe h SER 43 Ca 0.16 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.26 2joe h SER 43 Cb 0.48 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.53 2joe h SER 43 CO 0.02 0.75 -1.14 -0.29 -0.87 0.00 0.00 176.83 175.30 2joe h ILE 44 N 0.00 1.34 -0.12 0.95 2.10 -1.46 -3.48 117.51 116.84 2joe h ILE 44 Ca -0.10 -3.04 0.00 0.00 1.08 0.00 0.00 64.86 62.81 2joe h ILE 44 Cb 1.66 2.65 0.00 0.00 -1.09 0.00 0.00 36.82 40.04 2joe h ILE 44 CO 0.08 0.76 0.00 0.61 -1.08 0.00 0.00 178.15 178.52 2joe n GLY 45 N 1.39 1.20 3.53 8.18 0.00 -0.10 -5.09 105.19 114.29 2joe n GLY 45 Ca -0.04 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.12 2.80 -0.16 4.61 0.00 -0.73 -5.00 121.76 121.17 2joe s ALA 46 Ca 0.00 -1.24 0.10 0.00 0.00 0.00 0.00 51.96 50.82 2joe s ALA 46 Cb 0.00 -0.81 -0.16 0.00 0.00 0.00 0.00 23.12 22.15 2joe s ALA 46 CO 0.00 0.61 -0.01 2.41 0.00 0.00 0.00 175.76 178.77 2joe n THR 47 N 1.01 1.02 -4.43 0.00 -1.04 -1.26 -4.52 114.28 105.06 2joe n THR 47 Ca -0.15 -0.56 -0.24 0.00 -2.04 0.00 0.00 64.05 61.06 2joe n THR 47 Cb 0.52 -0.76 -0.08 0.00 -1.82 0.00 0.00 70.33 68.19 2joe n THR 47 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2joe s THR 48 N -2.36 0.32 0.29 12.58 -1.32 -1.26 -5.01 115.64 118.87 2joe s THR 48 Ca -0.12 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 58.37 2joe s THR 48 Cb 0.05 -2.37 0.10 0.00 -1.51 0.00 0.00 72.50 68.77 2joe s THR 48 CO 0.55 0.00 1.77 0.50 -2.21 0.00 0.00 174.62 175.23 2joe h LYS 49 N 1.89 0.60 -0.26 7.08 3.11 -1.97 -3.05 116.57 123.98 2joe h LYS 49 Ca -0.31 -0.18 0.06 0.00 -2.81 0.00 0.00 60.65 57.42 2joe h LYS 49 Cb 1.26 -0.06 -0.06 0.00 -1.00 0.00 0.00 32.23 32.36 2joe h LYS 49 CO 0.47 0.70 -0.17 0.93 -2.81 0.00 0.00 179.45 178.58 2joe h GLU 50 N 0.55 -0.14 -0.54 1.90 5.08 -1.99 0.25 114.58 119.70 2joe h GLU 50 Ca 0.10 0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 2joe h GLU 50 Cb 0.52 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2joe h GLU 50 CO 0.03 -0.10 -0.00 -0.44 -1.00 0.00 0.00 179.01 177.50 2joe h ASP 51 N -0.15 0.93 -0.39 1.42 5.19 -1.97 -1.10 116.42 120.36 2joe h ASP 51 Ca 0.14 -0.31 -0.03 0.00 -0.62 0.00 0.00 57.03 56.22 2joe h ASP 51 Cb 0.36 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.60 2joe h ASP 51 CO -0.35 1.02 0.14 0.00 -3.12 0.00 0.00 179.24 176.93 2joe h ALA 52 N 0.95 0.51 -0.07 3.45 0.00 -1.35 -2.79 119.26 119.96 2joe h ALA 52 Ca 0.15 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2joe h ALA 52 Cb 0.54 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2joe h ALA 52 CO 0.03 0.13 0.03 0.00 0.00 0.00 0.00 179.25 179.44 2joe h ALA 53 N 0.98 0.09 0.00 0.00 0.00 -0.33 0.25 119.26 120.25 2joe h ALA 53 Ca 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2joe h ALA 53 Cb 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2joe h ALA 53 CO -0.01 -0.35 0.00 1.63 0.00 0.00 0.00 179.25 180.52 2joe n LYS 54 N -4.98 0.07 -0.13 0.00 5.02 -0.43 -0.03 118.16 117.68 2joe n LYS 54 Ca -0.06 0.49 -0.22 0.00 -2.02 0.00 0.00 58.31 56.50 2joe n LYS 54 Cb 0.09 -1.68 -0.11 0.00 -0.02 0.00 0.00 35.03 33.30 2joe n LYS 54 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2joe n THR 55 N -1.82 1.52 0.00 -0.18 -1.04 -0.82 -4.69 114.28 107.25 2joe n THR 55 Ca 0.00 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.05 61.38 2joe n THR 55 Cb 0.07 -1.61 -0.14 0.00 -1.82 0.00 0.00 70.33 66.83 2joe n THR 55 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2joe h LEU 56 N -0.36 0.19 -0.21 -4.42 3.38 0.27 -3.29 115.31 110.86 2joe h LEU 56 Ca -0.61 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 57.04 2joe h LEU 56 Cb 1.80 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 42.44 2joe h LEU 56 CO -0.20 1.32 -0.07 -0.33 0.09 0.00 0.00 178.44 179.25 2joe h GLU 57 N 0.03 -0.03 0.00 1.13 4.39 -0.66 0.30 114.58 119.75 2joe h GLU 57 Ca -0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.40 2joe h GLU 57 Cb 2.01 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.67 2joe h GLU 57 CO 0.10 -0.02 0.00 -0.35 -1.16 0.00 0.00 179.01 177.58 2joe n PRO 58 N -5.22 0.08 0.07 2.33 -0.04 -1.26 -2.01 135.00 128.95 2joe n PRO 58 Ca -0.02 0.30 -0.23 0.00 -0.04 0.00 0.00 63.50 63.51 2joe n PRO 58 Cb 0.14 -1.64 -0.15 0.00 -0.04 0.00 0.00 33.50 31.81 2joe n PRO 58 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2joe h LEU 59 N 0.00 0.60 -1.06 1.53 6.46 -0.89 -3.26 115.31 118.69 2joe h LEU 59 Ca 0.00 -0.92 -0.08 0.00 -0.12 0.00 0.00 57.88 56.76 2joe h LEU 59 Cb 0.32 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 2joe h LEU 59 CO 0.00 1.71 -0.38 0.77 -0.62 0.00 0.00 178.44 179.92 2joe h SER 60 N -0.02 0.00 0.39 1.25 4.64 -0.45 -2.40 113.55 116.97 2joe h SER 60 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 2joe h SER 60 Cb 2.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.09 2joe h SER 60 CO 0.17 0.38 0.00 0.00 -0.87 0.00 0.00 176.83 176.50 2joe n ALA 61 N -2.33 1.53 0.14 5.18 0.00 -0.85 -1.70 120.51 122.48 2joe n ALA 61 Ca -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 53.44 53.39 2joe n ALA 61 Cb 0.48 -1.19 0.26 0.00 0.00 0.00 0.00 19.45 19.00 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 0.10 0.14 0.00 1.57 -1.47 -3.26 116.57 113.66 2joe h LYS 62 Ca 0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2joe h LYS 62 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2joe h LYS 62 CO 0.00 0.53 -0.07 1.88 -0.57 0.00 0.00 179.45 181.22 2joe h TYR 63 N 0.08 -0.18 -2.25 -1.35 -1.99 -1.51 -3.47 116.97 106.30 2joe h TYR 63 Ca 0.00 -0.00 0.25 0.00 2.00 0.00 0.00 58.73 60.98 2joe h TYR 63 Cb 0.83 0.06 -0.06 0.00 2.00 0.00 0.00 36.73 39.56 2joe h TYR 63 CO 0.01 0.06 -0.33 1.63 -0.00 0.00 0.00 178.16 179.53 2joe n LYS 64 N -4.89 -1.82 -2.25 4.88 5.02 -1.21 -4.23 118.16 113.66 2joe n LYS 64 Ca -0.04 1.20 -0.43 0.00 -2.02 0.00 0.00 58.31 57.02 2joe n LYS 64 Cb 0.16 -2.22 0.00 0.00 -0.02 0.00 0.00 35.03 32.95 2joe n LYS 64 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2joe n ASN 65 N -3.19 4.78 0.30 4.39 0.23 -1.26 -4.72 115.26 115.80 2joe n ASN 65 Ca 0.01 -3.02 -0.12 0.00 -0.53 0.00 0.00 54.58 50.91 2joe n ASN 65 Cb 0.41 -1.55 -0.06 0.00 -2.08 0.00 0.00 39.78 36.50 2joe n ASN 65 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 2joe h ILE 66 N 3.99 0.00 0.00 1.53 2.04 -1.85 -3.48 117.51 119.73 2joe h ILE 66 Ca 0.44 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 66.00 2joe h ILE 66 Cb 0.67 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 2joe h ILE 66 CO 1.65 0.00 0.00 0.00 0.00 0.00 0.00 178.15 179.80 2joe n ALA 67 N -2.63 0.89 -1.73 1.87 0.00 -1.26 -4.98 120.51 112.67 2joe n ALA 67 Ca -0.10 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.29 2joe n ALA 67 Cb 0.32 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.91 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 0.05 5.56 3.42 0.00 0.00 -1.26 -4.95 105.19 108.01 2joe n GLY 68 Ca 0.00 -1.77 -0.44 0.00 0.00 0.00 0.00 46.02 43.81 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 -3.71 4.60 -0.25 1.61 -7.23 -1.24 -1.50 120.40 112.68 2joe s VAL 69 Ca 0.43 -0.79 -0.16 0.00 -1.81 0.00 0.00 61.98 59.65 2joe s VAL 69 Cb 0.39 -4.60 -0.03 0.00 0.56 0.00 0.00 36.38 32.69 2joe s VAL 69 CO -0.03 -1.31 0.42 -1.61 -0.31 0.00 0.00 175.10 172.26 2joe s GLU 70 N 3.26 4.07 -0.60 4.82 2.02 0.64 -4.70 118.70 128.21 2joe s GLU 70 Ca 0.18 0.16 -0.07 0.00 0.02 0.00 0.00 54.97 55.27 2joe s GLU 70 Cb -0.19 -3.63 0.16 0.00 0.10 0.00 0.00 34.13 30.57 2joe s GLU 70 CO 0.06 -0.24 0.45 -1.83 0.02 0.00 0.00 175.26 173.72 2joe s GLU 71 N 1.97 2.67 -0.31 1.61 4.04 -1.26 -1.16 118.70 126.26 2joe s GLU 71 Ca 0.18 -2.24 -0.08 0.00 0.04 0.00 0.00 54.97 52.87 2joe s GLU 71 Cb -0.15 -3.90 0.01 0.00 0.02 0.00 0.00 34.13 30.10 2joe s GLU 71 CO 0.09 -1.19 0.11 0.21 -1.84 0.00 0.00 175.26 172.64 2joe s LYS 72 N 0.49 3.12 -0.42 -4.83 2.47 -0.57 -4.99 119.74 115.01 2joe s LYS 72 Ca 0.13 -0.85 -0.17 0.00 -1.56 0.00 0.00 55.97 53.53 2joe s LYS 72 Cb -0.20 -3.46 0.02 0.00 -1.46 0.00 0.00 37.83 32.73 2joe s LYS 72 CO -0.04 -0.46 0.39 -0.51 0.16 0.00 0.00 175.35 174.89 2joe s LEU 73 N 1.53 4.94 -0.37 5.43 1.43 -1.26 -0.11 118.68 130.27 2joe s LEU 73 Ca 0.03 -0.75 -0.13 0.00 -1.03 0.00 0.00 54.13 52.26 2joe s LEU 73 Cb -0.17 -2.32 0.01 0.00 0.03 0.00 0.00 46.19 43.74 2joe s LEU 73 CO 0.04 -0.54 0.24 0.42 0.23 0.00 0.00 176.35 176.74 2joe s THR 74 N 1.99 4.98 -0.54 5.49 -4.23 -0.33 -4.93 115.64 118.07 2joe s THR 74 Ca 0.10 -0.59 -0.18 0.00 -1.18 0.00 0.00 61.69 59.84 2joe s THR 74 Cb -0.18 -3.69 0.08 0.00 1.34 0.00 0.00 72.50 70.05 2joe s THR 74 CO 0.12 -0.17 0.62 -0.31 -0.54 0.00 0.00 174.62 174.35 2joe s TYR 75 N 1.64 3.06 -0.88 3.99 1.51 -1.26 -0.33 117.35 125.08 2joe s TYR 75 Ca 0.04 -0.78 0.01 0.00 -1.01 0.00 0.00 57.07 55.33 2joe s TYR 75 Cb -0.18 -3.70 0.33 0.00 -0.11 0.00 0.00 41.96 38.30 2joe s TYR 75 CO 0.09 -1.11 1.57 0.25 -1.11 0.00 0.00 175.55 175.24 2joe n THR 76 N 5.53 5.06 0.00 -0.71 -2.24 0.22 -4.93 114.28 117.21 2joe n THR 76 Ca -0.09 -5.77 0.00 0.00 -2.27 0.00 0.00 64.05 55.92 2joe n THR 76 Cb 0.44 -1.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.18 2joe n THR 76 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2joe n ASP 77 N -0.15 0.00 -0.00 3.42 -0.08 -1.26 -3.55 116.55 114.93 2joe n ASP 77 Ca 0.43 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.73 2joe n ASP 77 Cb 0.30 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.73 2joe n ASP 77 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2joe n THR 78 N 0.00 0.00 -3.84 5.18 -1.04 -1.26 -4.82 114.28 108.49 2joe n THR 78 Ca 0.00 -0.26 -0.11 0.00 -2.04 0.00 0.00 64.05 61.64 2joe n THR 78 Cb 0.00 0.71 -0.09 0.00 -1.82 0.00 0.00 70.33 69.14 2joe n THR 78 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 2joe s TYR 79 N -1.92 0.02 -0.18 -1.42 1.13 -1.23 -2.78 117.35 110.96 2joe s TYR 79 Ca 0.00 -0.15 -0.00 0.00 -1.41 0.00 0.00 57.07 55.51 2joe s TYR 79 Cb 0.04 -0.02 0.01 0.00 -1.10 0.00 0.00 41.96 40.89 2joe s TYR 79 CO 0.23 -0.38 -0.15 0.00 -2.51 0.00 0.00 175.55 172.75 2joe s ALA 80 N -2.00 2.48 -0.23 9.51 0.00 0.71 -0.61 121.76 131.62 2joe s ALA 80 Ca -0.09 -1.15 -0.08 0.00 0.00 0.00 0.00 51.96 50.63 2joe s ALA 80 Cb -0.04 -1.30 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 2joe s ALA 80 CO -0.01 -0.26 0.09 -1.14 0.00 0.00 0.00 175.76 174.44 2joe s GLN 81 N 1.18 3.83 -0.94 0.00 0.74 0.55 -0.40 119.66 124.61 2joe s GLN 81 Ca 0.02 -0.40 -0.22 0.00 0.05 0.00 0.00 55.36 54.81 2joe s GLN 81 Cb -0.14 -3.36 0.08 0.00 1.10 0.00 0.00 33.01 30.69 2joe s GLN 81 CO -0.06 -0.04 1.28 -1.21 -0.55 0.00 0.00 175.29 174.71 2joe s GLU 82 N 1.24 3.53 -1.01 1.67 2.02 0.98 -1.19 118.70 125.94 2joe s GLU 82 Ca 0.05 -1.29 -0.23 0.00 0.02 0.00 0.00 54.97 53.52 2joe s GLU 82 Cb -0.14 -5.04 0.04 0.00 0.10 0.00 0.00 34.13 29.09 2joe s GLU 82 CO 0.04 -2.01 1.51 -0.80 0.02 0.00 0.00 175.26 174.02 2joe s ASN 83 N 4.30 6.35 -0.17 -0.19 -0.87 0.85 -1.21 114.94 123.99 2joe s ASN 83 Ca 0.39 -1.38 -0.07 0.00 -1.57 0.00 0.00 52.86 50.23 2joe s ASN 83 Cb -0.04 -2.57 -0.04 0.00 -0.02 0.00 0.00 41.25 38.59 2joe s ASN 83 CO -0.07 -1.65 0.05 -0.69 -2.57 0.00 0.00 177.10 172.17 2joe s VAL 84 N 5.56 4.66 -0.23 1.60 1.01 -0.26 -1.52 120.40 131.21 2joe s VAL 84 Ca 0.49 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.40 2joe s VAL 84 Cb -0.01 -3.08 0.05 0.00 0.00 0.00 0.00 36.38 33.34 2joe s VAL 84 CO -0.09 0.48 -0.11 -0.89 0.00 0.00 0.00 175.10 174.49 2joe s THR 85 N 0.24 1.91 -0.51 3.92 2.01 -0.31 0.10 115.64 123.00 2joe s THR 85 Ca 0.03 -1.32 -0.08 0.00 0.31 0.00 0.00 61.69 60.63 2joe s THR 85 Cb -0.12 -2.00 0.13 0.00 0.01 0.00 0.00 72.50 70.51 2joe s THR 85 CO 0.01 0.08 0.38 -0.63 -0.69 0.00 0.00 174.62 173.77 2joe s ILE 86 N 1.25 4.17 -0.33 1.82 1.01 0.78 -0.26 121.20 129.63 2joe s ILE 86 Ca -0.05 -2.01 -0.29 0.00 0.00 0.00 0.00 60.65 58.31 2joe s ILE 86 Cb -0.18 -3.74 -0.01 0.00 0.01 0.00 0.00 42.46 38.54 2joe s ILE 86 CO -0.07 -0.80 1.63 -1.81 0.00 0.00 0.00 174.94 173.89 2joe s ASP 87 N 2.32 6.15 -0.01 3.58 1.01 -0.56 -0.27 116.67 128.89 2joe s ASP 87 Ca 0.08 1.21 0.05 0.00 0.71 0.00 0.00 52.55 54.60 2joe s ASP 87 Cb -0.24 -2.53 0.15 0.00 1.01 0.00 0.00 42.92 41.31 2joe s ASP 87 CO -0.02 -1.52 1.07 0.23 0.21 0.00 0.00 175.17 175.14 2joe n MET 88 N 8.15 1.44 0.07 8.23 2.81 0.97 -3.45 117.12 135.33 2joe n MET 88 Ca 0.20 -0.59 0.13 0.00 -1.81 0.00 0.00 57.70 55.63 2joe n MET 88 Cb 0.47 -1.20 0.43 0.00 -0.71 0.00 0.00 33.22 32.21 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 -0.00 0.18 -2.70 0.03 1.02 -1.20 -4.04 120.64 113.92 2joe n GLU 89 Ca 0.05 0.13 -0.03 0.00 -0.02 0.00 0.00 57.16 57.30 2joe n GLU 89 Cb 0.18 -1.70 0.11 0.00 -0.02 0.00 0.00 31.44 30.01 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 -2.00 1.40 -1.93 3.49 4.81 -1.22 -5.08 118.16 117.62 2joe n LYS 90 Ca 0.06 -1.81 -0.40 0.00 -0.87 0.00 0.00 58.31 55.28 2joe n LYS 90 Cb 0.40 -0.09 -0.03 0.00 0.02 0.00 0.00 35.03 35.34 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 -0.71 3.33 -0.86 3.15 -7.23 -1.24 -4.58 120.40 112.25 2joe s VAL 91 Ca 0.15 0.27 -0.24 0.00 -1.81 0.00 0.00 61.98 60.35 2joe s VAL 91 Cb 0.42 -3.63 0.05 0.00 0.56 0.00 0.00 36.38 33.77 2joe s VAL 91 CO -0.10 -0.53 1.31 -0.62 -0.31 0.00 0.00 175.10 174.85 2joe s ASP 92 N 7.98 6.33 0.00 4.85 2.15 -1.26 -4.83 116.67 131.89 2joe s ASP 92 Ca 0.78 -1.00 0.15 0.00 0.43 0.00 0.00 52.55 52.91 2joe s ASP 92 Cb -0.18 -2.54 0.87 0.00 -0.30 0.00 0.00 42.92 40.76 2joe s ASP 92 CO 0.27 -1.62 1.32 0.49 -0.17 0.00 0.00 175.17 175.46 2joe n PHE 93 N 8.86 0.00 0.03 -5.34 3.72 -1.26 -0.81 117.46 122.66 2joe n PHE 93 Ca 0.16 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.36 2joe n PHE 93 Cb 0.50 -0.04 -0.14 0.00 -0.94 0.00 0.00 39.48 38.85 2joe n PHE 93 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2joe h LYS 94 N 0.00 0.27 0.08 -1.08 1.57 -1.99 -2.10 116.57 113.33 2joe h LYS 94 Ca 0.00 -0.47 -0.27 0.00 -1.87 0.00 0.00 60.65 58.04 2joe h LYS 94 Cb 0.02 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2joe h LYS 94 CO 0.00 1.15 -1.35 0.00 -0.57 0.00 0.00 179.45 178.67 2joe h ALA 95 N 0.27 0.29 0.00 3.86 0.00 -1.86 -3.22 119.26 118.61 2joe h ALA 95 Ca -0.35 -1.04 0.00 0.00 0.00 0.00 0.00 54.91 53.52 2joe h ALA 95 Cb 2.05 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.97 2joe h ALA 95 CO 0.13 1.17 0.00 -0.11 0.00 0.00 0.00 179.25 180.44 2joe n LEU 96 N -3.41 0.00 0.30 0.00 0.00 0.01 -3.02 117.00 110.88 2joe n LEU 96 Ca -0.11 0.36 0.16 0.00 0.00 0.00 0.00 56.01 56.42 2joe n LEU 96 Cb 1.02 -0.36 0.95 0.00 0.00 0.00 0.00 43.42 45.03 2joe n LEU 96 CO 0.50 -0.14 1.13 -0.61 0.00 0.00 0.00 177.39 178.28 2joe h GLN 97 N 0.00 0.00 -0.01 1.96 4.15 -1.39 0.12 115.11 119.94 2joe h GLN 97 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2joe h GLN 97 Cb 0.22 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.91 2joe h GLN 97 CO 0.00 0.00 -0.08 0.41 -1.93 0.00 0.00 178.83 177.23 2joe n GLY 98 N -1.30 -0.28 0.00 2.39 0.00 -1.17 -4.93 105.19 99.91 2joe n GLY 98 Ca -0.03 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2joe n GLY 98 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2joe n ILE 99 N -0.19 0.00 0.03 -0.61 -5.35 0.42 -5.10 119.36 108.56 2joe n ILE 99 Ca 0.17 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.65 2joe n ILE 99 Cb 0.33 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.23 2joe n ILE 99 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2joe n SER 100 N 0.00 -0.50 0.00 7.28 3.41 -1.25 -4.95 113.62 117.61 2joe n SER 100 Ca 0.00 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 2joe n SER 100 Cb 0.00 0.78 0.00 0.00 -0.26 0.00 0.00 64.21 64.73 2joe n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2joe n GLY 101 N -1.08 2.32 3.44 5.00 0.00 -1.26 -4.91 105.19 108.70 2joe n GLY 101 Ca 0.00 -0.30 -0.44 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.86 5.11 -0.02 -0.61 1.01 -1.26 -4.87 121.20 119.69 2joe s ILE 102 Ca 0.00 -2.46 0.00 0.00 0.00 0.00 0.00 60.65 58.19 2joe s ILE 102 Cb 0.00 -4.82 0.00 0.00 0.01 0.00 0.00 42.46 37.65 2joe s ILE 102 CO 0.00 -1.51 0.95 0.59 0.00 0.00 0.00 174.94 174.97 2joe n ASN 103 N 5.43 2.84 -0.09 3.58 3.02 -1.26 -3.42 115.26 125.35 2joe n ASN 103 Ca 0.31 -1.92 -0.14 0.00 -0.03 0.00 0.00 54.58 52.80 2joe n ASN 103 Cb 0.44 -0.48 -0.07 0.00 -0.61 0.00 0.00 39.78 39.07 2joe n ASN 103 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2joe n VAL 104 N 0.51 1.48 -3.46 2.41 0.31 -1.26 -4.94 118.33 113.38 2joe n VAL 104 Ca 0.00 0.08 -0.07 0.00 -0.01 0.00 0.00 64.34 64.34 2joe n VAL 104 Cb 0.47 -2.21 -0.08 0.00 -0.91 0.00 0.00 33.84 31.12 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 -6.33 -0.15 0.45 4.52 0.01 -1.22 -5.00 113.70 105.98 2joe s SER 105 Ca -0.22 0.62 0.22 0.00 1.31 0.00 0.00 55.95 57.88 2joe s SER 105 Cb 0.04 1.35 1.06 0.00 0.21 0.00 0.00 66.02 68.68 2joe s SER 105 CO 0.41 -0.27 1.91 0.00 0.41 0.00 0.00 173.24 175.71 2joe h ALA 106 N 8.16 1.20 -0.25 1.44 0.00 -1.93 -2.60 119.26 125.28 2joe h ALA 106 Ca -0.18 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.57 2joe h ALA 106 Cb 1.14 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 2joe h ALA 106 CO 0.21 0.29 -0.12 1.49 0.00 0.00 0.00 179.25 181.12 2joe h GLU 107 N 0.00 -0.09 0.00 0.00 4.57 -1.95 -1.94 114.58 115.17 2joe h GLU 107 Ca -0.00 0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.11 2joe h GLU 107 Cb 0.58 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.18 2joe h GLU 107 CO 0.03 -0.06 -0.36 0.22 -1.18 0.00 0.00 179.01 177.66 2joe h ASP 108 N -0.09 0.00 0.25 1.04 3.58 -1.89 -2.22 116.42 117.09 2joe h ASP 108 Ca 0.13 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 2joe h ASP 108 Cb 0.29 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.34 2joe h ASP 108 CO -0.31 0.36 -0.12 0.00 -2.88 0.00 0.00 179.24 176.30 2joe h ALA 109 N 1.64 -0.33 0.00 -0.78 0.00 -1.22 -2.87 119.26 115.69 2joe h ALA 109 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2joe h ALA 109 Cb 0.80 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2joe h ALA 109 CO 0.05 -0.50 0.00 0.36 0.00 0.00 0.00 179.25 179.16 2joe n LYS 110 N -5.08 0.38 0.07 0.00 2.85 -0.78 -1.67 118.16 113.94 2joe n LYS 110 Ca -0.09 0.07 0.13 0.00 -1.05 0.00 0.00 58.31 57.36 2joe n LYS 110 Cb 0.25 -1.50 0.37 0.00 -0.65 0.00 0.00 35.03 33.51 2joe n LYS 110 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2joe n LYS 111 N -1.23 0.21 -0.35 -1.58 4.81 -0.84 -5.00 118.16 114.18 2joe n LYS 111 Ca 0.12 0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.69 2joe n LYS 111 Cb 0.16 -1.70 0.00 0.00 0.02 0.00 0.00 35.03 33.50 2joe n LYS 111 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2joe n GLY 112 N 1.36 -0.45 3.65 3.14 0.00 -0.67 -4.99 105.19 107.22 2joe n GLY 112 Ca 0.05 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 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 4.12 0.49 -0.61 -1.09 -1.26 -4.97 121.20 117.89 2joe s ILE 113 Ca 0.00 1.32 0.06 0.00 -2.23 0.00 0.00 60.65 59.80 2joe s ILE 113 Cb 0.00 -3.99 0.06 0.00 -1.58 0.00 0.00 42.46 36.95 2joe s ILE 113 CO 0.00 -0.27 0.50 0.35 -1.23 0.00 0.00 174.94 174.29 2joe n THR 114 N 5.80 0.00 -0.01 2.92 -2.24 -1.26 -4.74 114.28 114.75 2joe n THR 114 Ca 0.15 -1.81 -0.17 0.00 -2.27 0.00 0.00 64.05 59.94 2joe n THR 114 Cb 0.45 -0.29 -0.10 0.00 -2.10 0.00 0.00 70.33 68.30 2joe n THR 114 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 2joe h MET 115 N 0.00 0.54 -0.11 -0.78 4.05 -1.88 -2.75 114.93 113.99 2joe h MET 115 Ca -0.28 -0.50 0.00 0.00 -0.28 0.00 0.00 59.70 58.64 2joe h MET 115 Cb 1.10 0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 32.02 2joe h MET 115 CO 0.42 1.13 0.07 0.00 0.23 0.00 0.00 176.91 178.77 2joe h ALA 116 N 0.41 1.94 0.64 0.39 0.00 -1.97 -2.07 119.26 118.60 2joe h ALA 116 Ca -0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2joe h ALA 116 Cb 1.32 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.07 2joe h ALA 116 CO 0.13 0.05 -0.31 1.96 0.00 0.00 0.00 179.25 181.09 2joe h GLN 117 N 0.14 -0.83 -0.91 0.00 4.20 -1.94 -2.50 115.11 113.27 2joe h GLN 117 Ca 0.04 0.06 0.21 0.00 0.06 0.00 0.00 58.65 59.02 2joe h GLN 117 Cb 0.00 0.19 -0.17 0.00 0.30 0.00 0.00 27.48 27.80 2joe h GLN 117 CO -0.01 -0.55 -0.11 0.52 -0.67 0.00 0.00 178.83 178.01 2joe h MET 118 N -1.07 0.02 0.66 1.46 2.86 -1.16 0.47 114.93 118.17 2joe h MET 118 Ca -0.09 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 2joe h MET 118 Cb 0.66 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.31 2joe h MET 118 CO 0.14 0.01 -0.43 0.93 1.06 0.00 0.00 176.91 178.63 2joe h GLU 119 N 0.02 -0.99 0.00 1.72 4.39 -1.41 0.93 114.58 119.25 2joe h GLU 119 Ca 0.48 0.07 -0.06 0.00 0.34 0.00 0.00 59.36 60.19 2joe h GLU 119 Cb 0.85 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 2joe h GLU 119 CO -0.89 -0.66 -0.28 -0.07 -1.16 0.00 0.00 179.01 175.95 2joe h LEU 120 N -1.03 0.00 0.24 1.33 4.07 -0.91 -1.96 115.31 117.05 2joe h LEU 120 Ca -0.09 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.54 2joe h LEU 120 Cb 0.83 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.60 2joe h LEU 120 CO 0.08 0.28 -1.46 0.58 -1.08 0.00 0.00 178.44 176.84 2joe h VAL 121 N 0.00 1.26 -0.33 1.22 2.07 -0.04 0.57 116.25 121.01 2joe h VAL 121 Ca -0.00 -2.66 -0.08 0.00 0.82 0.00 0.00 66.70 64.77 2joe h VAL 121 Cb 0.85 3.03 -0.02 0.00 -1.52 0.00 0.00 31.29 33.63 2joe h VAL 121 CO 0.04 0.81 -0.14 0.24 0.02 0.00 0.00 177.57 178.53 2joe h MET 122 N 0.09 0.57 -0.02 1.57 2.86 -0.76 -2.74 114.93 116.50 2joe h MET 122 Ca -0.26 -0.18 -0.14 0.00 -2.06 0.00 0.00 59.70 57.06 2joe h MET 122 Cb 2.12 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 33.71 2joe h MET 122 CO 0.26 0.70 -0.62 -0.22 1.06 0.00 0.00 176.91 178.08 2joe h LYS 123 N 0.52 0.09 -0.71 1.72 3.64 -1.33 -0.68 116.57 119.82 2joe h LYS 123 Ca 0.09 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 2joe h LYS 123 Cb 0.55 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 2joe h LYS 123 CO 0.04 0.68 0.19 0.00 -2.27 0.00 0.00 179.45 178.08 2joe h ALA 124 N 1.30 1.00 0.00 5.00 0.00 -0.57 -2.33 119.26 123.66 2joe h ALA 124 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2joe h ALA 124 Cb 1.12 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2joe h ALA 124 CO 0.09 0.66 -0.38 0.00 0.00 0.00 0.00 179.25 179.62 2joe h ALA 125 N 1.14 0.79 -2.31 0.00 0.00 -1.48 -3.48 119.26 113.91 2joe h ALA 125 Ca 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 2joe h ALA 125 Cb 0.34 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.15 2joe h ALA 125 CO -0.00 0.00 -0.07 0.41 0.00 0.00 0.00 179.25 179.59 2joe n GLY 126 N 1.22 0.38 3.89 0.00 0.00 -0.71 -5.06 105.19 104.91 2joe n GLY 126 Ca 0.03 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.03 1.54 -0.18 1.61 0.08 -0.34 -5.03 117.98 112.62 2joe s PHE 127 Ca 0.00 0.36 -0.01 0.00 0.12 0.00 0.00 56.93 57.40 2joe s PHE 127 Cb -0.00 -4.01 -0.00 0.00 -0.57 0.00 0.00 43.02 38.44 2joe s PHE 127 CO 0.07 -2.75 -0.12 0.21 -0.10 0.00 0.00 175.22 172.53 2joe s LYS 128 N -5.82 3.26 -0.08 0.44 2.20 -1.26 -4.93 119.74 113.56 2joe s LYS 128 Ca 0.73 -0.71 -0.27 0.00 -0.36 0.00 0.00 55.97 55.36 2joe s LYS 128 Cb -0.05 -2.76 -0.02 0.00 -1.51 0.00 0.00 37.83 33.49 2joe s LYS 128 CO 0.53 -0.08 0.88 -1.21 -0.36 0.00 0.00 175.35 175.11 2joe s GLU 129 N 1.08 4.44 -0.15 4.03 2.02 -1.26 -0.80 118.70 128.06 2joe s GLU 129 Ca 0.00 1.17 -0.15 0.00 0.02 0.00 0.00 54.97 56.01 2joe s GLU 129 Cb -0.15 -3.50 -0.24 0.00 0.10 0.00 0.00 34.13 30.34 2joe s GLU 129 CO -0.03 -0.14 0.38 0.28 0.02 0.00 0.00 175.26 175.77 2joe h VAL 130 N 4.94 0.87 -4.94 2.63 2.07 -1.24 -3.47 116.25 117.12 2joe h VAL 130 Ca -0.36 -2.30 0.01 0.00 0.82 0.00 0.00 66.70 64.86 2joe h VAL 130 Cb 1.18 2.49 -0.10 0.00 -1.52 0.00 0.00 31.29 33.34 2joe h VAL 130 CO 0.79 0.63 -1.45 1.17 0.02 0.00 0.00 177.57 178.73 2joe n LYS 131 N -3.97 -4.82 0.00 1.57 4.81 0.11 -4.87 118.16 110.99 2joe n LYS 131 Ca -0.29 3.58 0.15 0.00 -0.87 0.00 0.00 58.31 60.88 2joe n LYS 131 Cb 0.87 -5.00 0.84 0.00 0.02 0.00 0.00 35.03 31.76 2joe n LYS 131 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 2joe n LEU 132 N 1.77 0.12 -3.55 3.14 -0.00 -1.26 -4.43 117.00 112.80 2joe n LEU 132 Ca -0.32 0.05 -0.41 0.00 -0.00 0.00 0.00 56.01 55.34 2joe n LEU 132 Cb 0.49 -0.10 -0.01 0.00 -0.00 0.00 0.00 43.42 43.80 2joe n LEU 132 CO 0.30 0.02 2.97 1.21 -0.00 0.00 0.00 177.39 181.88 2joe n GLU 133 N -1.01 3.28 -0.11 1.47 0.00 -1.26 -3.02 120.64 119.99 2joe n GLU 133 Ca 0.20 -2.48 0.00 0.00 0.00 0.00 0.00 57.16 54.88 2joe n GLU 133 Cb 0.17 -3.05 0.00 0.00 0.00 0.00 0.00 31.44 28.56 2joe n GLU 133 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 2joe n HIS 134 N 4.85 0.00 -3.68 4.31 -0.00 -1.26 -4.99 115.22 114.45 2joe n HIS 134 Ca 0.63 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 58.52 2joe n HIS 134 Cb 0.32 0.04 -0.13 0.00 -0.12 0.00 0.00 29.99 30.10 2joe n HIS 134 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2joe s HIS 135 N 0.00 1.86 0.12 1.57 3.76 -1.17 -5.10 115.29 116.34 2joe s HIS 135 Ca 0.00 -2.37 -0.31 0.00 -0.15 0.00 0.00 55.06 52.23 2joe s HIS 135 Cb 0.00 -1.76 -0.10 0.00 1.11 0.00 0.00 32.58 31.82 2joe s HIS 135 CO 0.00 -0.78 1.83 -1.01 -0.85 0.00 0.00 174.74 173.93 2joe s HIS 136 N 0.34 2.13 -0.01 1.40 3.76 -1.26 -4.90 115.29 116.74 2joe s HIS 136 Ca 0.19 -0.03 -0.30 0.00 -0.15 0.00 0.00 55.06 54.76 2joe s HIS 136 Cb -0.22 -4.18 -0.07 0.00 1.11 0.00 0.00 32.58 29.22 2joe s HIS 136 CO -0.01 -4.89 1.74 -1.58 -0.85 0.00 0.00 174.74 169.15 2joe s HIS 137 N 2.77 1.85 -0.23 1.40 5.04 -1.26 -4.00 115.29 120.86 2joe s HIS 137 Ca 0.81 0.03 -0.05 0.00 -1.54 0.00 0.00 55.06 54.31 2joe s HIS 137 Cb -0.46 -4.01 0.02 0.00 0.04 0.00 0.00 32.58 28.17 2joe s HIS 137 CO 0.36 -4.33 0.11 1.58 -2.34 0.00 0.00 174.74 170.13 2joe n HIS 138 N 7.02 -3.90 -0.92 3.88 -0.00 -1.26 -5.29 115.22 114.75 2joe n HIS 138 Ca 0.18 1.99 0.00 0.00 -0.00 0.00 0.00 57.72 59.89 2joe n HIS 138 Cb 0.42 -3.79 0.00 0.00 -0.00 0.00 0.00 29.99 26.62 2joe n HIS 138 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92