#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 2.66 2.04 -5.12 0.00 -1.26 -3.09 105.19 100.43 2joe n GLY 2 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.05 2joe n GLY 2 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2joe n ASP 3 N 2.72 -0.79 -0.40 1.61 5.68 -1.26 -5.02 116.55 119.08 2joe n ASP 3 Ca 0.36 0.20 0.02 0.00 -0.50 0.00 0.00 54.79 54.88 2joe n ASP 3 Cb 0.67 1.01 -0.01 0.00 -1.14 0.00 0.00 41.12 41.65 2joe n ASP 3 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2joe n LYS 4 N -2.75 -1.00 -2.47 0.11 4.01 -1.18 -4.73 118.16 110.16 2joe n LYS 4 Ca 0.00 0.80 -0.41 0.00 -0.51 0.00 0.00 58.31 58.19 2joe n LYS 4 Cb 0.00 -1.06 -0.03 0.00 -0.51 0.00 0.00 35.03 33.43 2joe n LYS 4 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2joe s GLU 5 N -3.87 3.12 -0.11 1.97 2.02 -1.26 -4.38 118.70 116.20 2joe s GLU 5 Ca 0.00 -0.07 -0.10 0.00 0.02 0.00 0.00 54.97 54.81 2joe s GLU 5 Cb 0.00 -4.21 -0.05 0.00 0.10 0.00 0.00 34.13 29.98 2joe s GLU 5 CO 0.00 -2.22 0.23 -1.21 0.02 0.00 0.00 175.26 172.08 2joe s GLU 6 N 5.91 3.78 -0.40 1.61 2.02 -0.86 -4.87 118.70 125.88 2joe s GLU 6 Ca 0.41 0.03 -0.18 0.00 0.02 0.00 0.00 54.97 55.25 2joe s GLU 6 Cb -0.09 -3.26 0.01 0.00 0.10 0.00 0.00 34.13 30.89 2joe s GLU 6 CO 0.17 0.62 0.47 -1.12 0.02 0.00 0.00 175.26 175.41 2joe s SER 7 N -0.64 6.23 -0.25 -0.19 0.01 -1.26 -1.71 113.70 115.89 2joe s SER 7 Ca 0.17 -0.44 -0.02 0.00 1.31 0.00 0.00 55.95 56.96 2joe s SER 7 Cb -0.13 -2.24 0.02 0.00 0.21 0.00 0.00 66.02 63.88 2joe s SER 7 CO 0.06 -0.56 -0.04 -0.75 0.41 0.00 0.00 173.24 172.36 2joe s LYS 8 N 2.28 2.91 0.04 12.44 2.47 -0.34 -4.56 119.74 134.97 2joe s LYS 8 Ca 0.15 -0.94 0.03 0.00 -1.56 0.00 0.00 55.97 53.65 2joe s LYS 8 Cb -0.16 -3.03 -0.04 0.00 -1.46 0.00 0.00 37.83 33.14 2joe s LYS 8 CO 0.14 -0.39 0.03 0.21 0.16 0.00 0.00 175.35 175.50 2joe s LYS 9 N 1.36 2.77 0.03 4.03 2.20 -1.15 -0.25 119.74 128.73 2joe s LYS 9 Ca 0.01 -0.68 0.06 0.00 -0.36 0.00 0.00 55.97 55.01 2joe s LYS 9 Cb -0.16 -2.67 -0.02 0.00 -1.51 0.00 0.00 37.83 33.47 2joe s LYS 9 CO -0.04 0.59 -0.18 -0.59 -0.36 0.00 0.00 175.35 174.77 2joe s PHE 10 N -1.22 1.59 -0.22 4.03 -0.12 0.18 0.38 117.98 122.60 2joe s PHE 10 Ca 0.24 -0.35 -0.04 0.00 -0.05 0.00 0.00 56.93 56.72 2joe s PHE 10 Cb -0.12 -0.96 0.07 0.00 -0.63 0.00 0.00 43.02 41.39 2joe s PHE 10 CO 0.15 0.06 0.09 -1.12 -0.05 0.00 0.00 175.22 174.35 2joe s SER 11 N -1.06 2.95 -0.15 1.98 0.01 -1.06 -0.70 113.70 115.67 2joe s SER 11 Ca 0.06 -0.93 0.02 0.00 1.31 0.00 0.00 55.95 56.40 2joe s SER 11 Cb -0.08 -0.42 0.02 0.00 0.21 0.00 0.00 66.02 65.74 2joe s SER 11 CO 0.01 -0.37 -0.19 0.00 0.41 0.00 0.00 173.24 173.10 2joe s ALA 12 N 2.01 2.14 -0.90 1.44 0.00 -0.83 -4.64 121.76 120.98 2joe s ALA 12 Ca 0.04 -1.05 -0.24 0.00 0.00 0.00 0.00 51.96 50.70 2joe s ALA 12 Cb -0.16 -1.03 0.05 0.00 0.00 0.00 0.00 23.12 21.97 2joe s ALA 12 CO -0.17 -0.17 1.35 1.21 0.00 0.00 0.00 175.76 177.97 2joe s ASN 13 N 1.06 6.38 -1.13 0.00 2.47 -1.26 -2.32 114.94 120.13 2joe s ASN 13 Ca -0.02 -1.12 -0.18 0.00 0.42 0.00 0.00 52.86 51.96 2joe s ASN 13 Cb -0.14 -2.55 0.11 0.00 -1.45 0.00 0.00 41.25 37.22 2joe s ASN 13 CO -0.06 -1.59 1.44 -0.76 -3.72 0.00 0.00 177.10 172.41 2joe s LEU 14 N 5.06 4.45 0.00 3.21 1.02 0.27 -4.39 118.68 128.30 2joe s LEU 14 Ca 0.40 -2.34 0.00 0.00 0.02 0.00 0.00 54.13 52.21 2joe s LEU 14 Cb -0.04 -2.48 0.00 0.00 0.02 0.00 0.00 46.19 43.69 2joe s LEU 14 CO -0.00 -1.07 0.00 0.59 0.02 0.00 0.00 176.35 175.88 2joe n ASN 15 N 7.17 -4.65 0.00 2.29 4.13 -1.26 -2.54 115.26 120.40 2joe n ASN 15 Ca 0.36 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.62 2joe n ASN 15 Cb 0.47 -2.96 0.00 0.00 -1.54 0.00 0.00 39.78 35.75 2joe n ASN 15 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2joe n GLY 16 N 0.06 2.66 3.64 7.41 0.00 -1.26 -5.10 105.19 112.61 2joe n GLY 16 Ca 0.00 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 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 4.70 -0.79 2.61 -4.23 -1.05 -4.62 115.64 112.26 2joe s THR 17 Ca 0.00 1.73 -0.22 0.00 -1.18 0.00 0.00 61.69 62.02 2joe s THR 17 Cb 0.00 -4.26 0.08 0.00 1.34 0.00 0.00 72.50 69.66 2joe s THR 17 CO 0.00 -0.22 1.11 -1.61 -0.54 0.00 0.00 174.62 173.36 2joe s GLU 18 N 3.16 3.31 -0.43 3.99 2.02 -0.34 -0.57 118.70 129.85 2joe s GLU 18 Ca 0.40 -1.04 -0.20 0.00 0.02 0.00 0.00 54.97 54.15 2joe s GLU 18 Cb -0.14 -4.55 0.02 0.00 0.10 0.00 0.00 34.13 29.56 2joe s GLU 18 CO 0.09 -1.90 0.59 0.42 0.02 0.00 0.00 175.26 174.48 2joe s ILE 19 N 4.03 4.90 -0.35 -1.63 1.01 -0.98 -0.33 121.20 127.84 2joe s ILE 19 Ca 0.30 0.02 -0.06 0.00 0.00 0.00 0.00 60.65 60.90 2joe s ILE 19 Cb -0.10 -4.16 0.05 0.00 0.01 0.00 0.00 42.46 38.26 2joe s ILE 19 CO 0.03 -0.54 0.12 0.00 0.00 0.00 0.00 174.94 174.55 2joe s ALA 20 N 2.64 3.06 -0.28 9.38 0.00 -0.46 -1.96 121.76 134.13 2joe s ALA 20 Ca 0.20 -1.83 -0.03 0.00 0.00 0.00 0.00 51.96 50.29 2joe s ALA 20 Cb -0.15 -2.29 0.03 0.00 0.00 0.00 0.00 23.12 20.71 2joe s ALA 20 CO 0.17 -1.39 0.00 0.42 0.00 0.00 0.00 175.76 174.97 2joe s ILE 21 N 1.38 3.26 -0.39 0.00 1.01 0.12 -0.35 121.20 126.22 2joe s ILE 21 Ca -0.01 -1.03 -0.11 0.00 0.00 0.00 0.00 60.65 59.51 2joe s ILE 21 Cb -0.20 -2.72 0.04 0.00 0.01 0.00 0.00 42.46 39.59 2joe s ILE 21 CO 0.02 0.07 0.23 -0.89 0.00 0.00 0.00 174.94 174.37 2joe s THR 22 N 1.36 4.50 -0.25 2.92 2.01 0.83 -0.65 115.64 126.37 2joe s THR 22 Ca -0.01 -1.02 -0.07 0.00 0.31 0.00 0.00 61.69 60.90 2joe s THR 22 Cb -0.18 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 2joe s THR 22 CO -0.01 -0.32 0.07 -0.72 -0.69 0.00 0.00 174.62 172.94 2joe s TYR 23 N 1.52 3.09 -0.24 4.92 1.13 0.66 0.05 117.35 128.48 2joe s TYR 23 Ca 0.02 -0.39 -0.19 0.00 -1.41 0.00 0.00 57.07 55.10 2joe s TYR 23 Cb -0.20 -2.23 -0.03 0.00 -1.10 0.00 0.00 41.96 38.40 2joe s TYR 23 CO 0.05 -0.33 0.54 0.08 -2.51 0.00 0.00 175.55 173.38 2joe s VAL 24 N 1.55 5.06 0.20 -3.49 1.01 0.12 -1.20 120.40 123.65 2joe s VAL 24 Ca 0.06 0.97 0.11 0.00 0.00 0.00 0.00 61.98 63.12 2joe s VAL 24 Cb -0.15 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 2joe s VAL 24 CO 0.04 0.11 -0.22 -0.72 0.00 0.00 0.00 175.10 174.30 2joe s TYR 25 N 2.10 2.34 -0.41 5.22 1.13 -0.69 -1.25 117.35 125.79 2joe s TYR 25 Ca 0.23 -0.34 0.03 0.00 -1.41 0.00 0.00 57.07 55.58 2joe s TYR 25 Cb -0.16 -1.15 0.12 0.00 -1.10 0.00 0.00 41.96 39.67 2joe s TYR 25 CO 0.09 0.51 0.16 0.21 -2.51 0.00 0.00 175.55 174.01 2joe s LYS 26 N -2.72 1.50 7.21 -3.49 2.20 0.81 -2.03 119.74 123.21 2joe s LYS 26 Ca 0.22 -2.03 0.00 0.00 -0.36 0.00 0.00 55.97 53.80 2joe s LYS 26 Cb -0.08 -2.92 0.00 0.00 -1.51 0.00 0.00 37.83 33.32 2joe s LYS 26 CO 0.11 -1.04 0.00 0.41 -0.36 0.00 0.00 175.35 174.47 2joe n GLY 27 N 3.84 2.02 0.02 5.54 0.00 -1.26 -3.09 105.19 112.25 2joe n GLY 27 Ca 0.04 -0.40 0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 9.34 0.65 -4.31 1.61 5.75 -1.26 -4.86 116.55 123.46 2joe n ASP 28 Ca 0.00 -0.35 -0.35 0.00 -0.01 0.00 0.00 54.79 54.09 2joe n ASP 28 Cb 0.00 0.62 -0.14 0.00 -1.03 0.00 0.00 41.12 40.57 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 -3.10 3.36 0.11 0.11 2.20 -1.18 -0.54 119.74 120.71 2joe s LYS 29 Ca 0.07 -0.64 -0.30 0.00 -0.36 0.00 0.00 55.97 54.74 2joe s LYS 29 Cb 0.16 -2.92 -0.06 0.00 -1.51 0.00 0.00 37.83 33.49 2joe s LYS 29 CO 0.78 -0.12 1.10 0.08 -0.36 0.00 0.00 175.35 176.82 2joe s VAL 30 N 1.26 4.11 0.00 4.02 1.01 -1.26 -0.13 120.40 129.41 2joe s VAL 30 Ca 0.03 1.67 0.00 0.00 0.00 0.00 0.00 61.98 63.68 2joe s VAL 30 Cb -0.14 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.17 2joe s VAL 30 CO -0.03 0.22 0.32 0.18 0.00 0.00 0.00 175.10 175.79 2joe n LEU 31 N 3.07 0.63 -3.40 3.92 4.77 -0.38 -4.76 117.00 120.86 2joe n LEU 31 Ca 0.05 -0.78 0.02 0.00 -0.03 0.00 0.00 56.01 55.27 2joe n LEU 31 Cb 0.47 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.53 2joe n LEU 31 CO 0.54 0.16 0.45 -0.75 -1.33 0.00 0.00 177.39 176.45 2joe s LYS 32 N -0.30 0.40 -0.39 3.23 2.20 -0.97 -1.15 119.74 122.76 2joe s LYS 32 Ca 0.00 0.92 -0.05 0.00 -0.36 0.00 0.00 55.97 56.48 2joe s LYS 32 Cb 0.00 0.54 0.09 0.00 -1.51 0.00 0.00 37.83 36.95 2joe s LYS 32 CO 0.00 -0.22 0.17 -1.14 -0.36 0.00 0.00 175.35 173.80 2joe s GLN 33 N 2.70 2.30 -0.63 4.03 0.74 0.80 0.16 119.66 129.76 2joe s GLN 33 Ca 0.00 -1.57 -0.22 0.00 0.05 0.00 0.00 55.36 53.63 2joe s GLN 33 Cb -0.10 -3.55 0.08 0.00 1.10 0.00 0.00 33.01 30.54 2joe s GLN 33 CO -0.18 -0.92 0.88 -1.54 -0.55 0.00 0.00 175.29 172.98 2joe s SER 34 N 1.78 6.19 -0.34 6.67 1.04 0.11 -0.46 113.70 128.68 2joe s SER 34 Ca 0.03 -1.06 -0.10 0.00 0.48 0.00 0.00 55.95 55.31 2joe s SER 34 Cb -0.22 -2.38 0.01 0.00 0.10 0.00 0.00 66.02 63.53 2joe s SER 34 CO -0.01 -1.31 0.16 -0.44 0.98 0.00 0.00 173.24 172.62 2joe s SER 35 N 3.56 5.56 -0.29 7.02 0.01 0.13 -0.12 113.70 129.57 2joe s SER 35 Ca 0.20 -0.76 -0.02 0.00 1.31 0.00 0.00 55.95 56.67 2joe s SER 35 Cb -0.19 -1.99 0.04 0.00 0.21 0.00 0.00 66.02 64.10 2joe s SER 35 CO 0.10 -0.28 -0.01 -0.70 0.41 0.00 0.00 173.24 172.77 2joe s GLU 36 N 1.57 2.54 -0.48 12.44 2.12 0.53 0.23 118.70 137.64 2joe s GLU 36 Ca 0.03 -1.19 -0.22 0.00 0.36 0.00 0.00 54.97 53.95 2joe s GLU 36 Cb -0.18 -3.16 0.03 0.00 0.26 0.00 0.00 34.13 31.08 2joe s GLU 36 CO 0.06 -0.57 0.77 0.99 -0.54 0.00 0.00 175.26 175.96 2joe s THR 37 N 1.28 4.66 -0.49 -1.70 2.01 0.34 -1.35 115.64 120.39 2joe s THR 37 Ca -0.04 0.20 -0.24 0.00 0.31 0.00 0.00 61.69 61.93 2joe s THR 37 Cb -0.19 -4.34 0.03 0.00 0.01 0.00 0.00 72.50 68.01 2joe s THR 37 CO -0.01 -0.79 0.87 -0.75 -0.69 0.00 0.00 174.62 173.24 2joe s LYS 38 N 3.24 3.40 -0.13 4.92 2.20 0.55 -0.79 119.74 133.13 2joe s LYS 38 Ca 0.26 -0.13 -0.03 0.00 -0.36 0.00 0.00 55.97 55.71 2joe s LYS 38 Cb -0.14 -3.98 -0.03 0.00 -1.51 0.00 0.00 37.83 32.17 2joe s LYS 38 CO 0.20 -1.27 -0.02 0.42 -0.36 0.00 0.00 175.35 174.32 2joe s ILE 39 N 3.60 4.11 -0.01 5.43 1.01 0.33 -1.20 121.20 134.48 2joe s ILE 39 Ca 0.31 -0.30 -0.14 0.00 0.00 0.00 0.00 60.65 60.52 2joe s ILE 39 Cb -0.12 -2.78 -0.06 0.00 0.01 0.00 0.00 42.46 39.52 2joe s ILE 39 CO 0.22 0.53 0.40 -1.10 0.00 0.00 0.00 174.94 174.99 2joe s GLN 40 N -0.07 3.91 0.45 2.79 -1.52 -1.26 -0.19 119.66 123.77 2joe s GLN 40 Ca 0.03 0.39 0.12 0.00 -1.95 0.00 0.00 55.36 53.94 2joe s GLN 40 Cb -0.13 -3.23 1.02 0.00 -0.22 0.00 0.00 33.01 30.46 2joe s GLN 40 CO 0.02 0.68 2.07 0.74 -0.25 0.00 0.00 175.29 178.55 2joe h PHE 41 N 4.78 0.23 0.00 0.91 -1.00 -1.74 0.33 116.94 120.45 2joe h PHE 41 Ca -0.51 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.26 2joe h PHE 41 Cb 1.22 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 40.70 2joe h PHE 41 CO 0.71 0.19 0.00 0.00 -1.61 0.00 0.00 178.31 177.60 2joe h ALA 42 N 1.84 1.00 0.10 2.45 0.00 -1.82 -0.23 119.26 122.60 2joe h ALA 42 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.66 2joe h ALA 42 Cb 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2joe h ALA 42 CO -0.01 0.00 -1.67 1.03 0.00 0.00 0.00 179.25 178.60 2joe h SER 43 N 0.00 0.33 1.80 0.00 0.87 -1.35 -3.36 113.55 111.84 2joe h SER 43 Ca 0.00 -0.83 0.00 0.00 -1.23 0.00 0.00 61.79 59.73 2joe h SER 43 Cb 0.45 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2joe h SER 43 CO 0.00 1.72 0.00 -0.29 -0.53 0.00 0.00 176.83 177.73 2joe h ILE 44 N -0.26 0.00 -0.75 2.23 2.10 -1.34 -3.47 117.51 116.01 2joe h ILE 44 Ca -0.37 -0.85 0.00 0.00 1.08 0.00 0.00 64.86 64.72 2joe h ILE 44 Cb 1.81 1.84 0.00 0.00 -1.09 0.00 0.00 36.82 39.38 2joe h ILE 44 CO 0.02 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 177.70 2joe n GLY 45 N 1.04 0.86 3.44 8.18 0.00 -0.24 -5.04 105.19 113.43 2joe n GLY 45 Ca 0.04 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.75 3.26 -0.74 4.61 0.00 -0.36 -4.94 121.76 120.84 2joe s ALA 46 Ca 0.00 -1.35 0.25 0.00 0.00 0.00 0.00 51.96 50.87 2joe s ALA 46 Cb 0.00 -2.34 0.64 0.00 0.00 0.00 0.00 23.12 21.42 2joe s ALA 46 CO 0.00 -0.84 1.58 0.25 0.00 0.00 0.00 175.76 176.75 2joe n THR 47 N 4.97 0.40 -4.01 0.00 -2.24 -1.26 -4.62 114.28 107.52 2joe n THR 47 Ca -0.14 -0.23 -0.12 0.00 -2.27 0.00 0.00 64.05 61.28 2joe n THR 47 Cb 0.49 -0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.37 2joe n THR 47 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2joe s THR 48 N -3.11 0.00 0.27 4.28 -1.32 -1.26 -5.06 115.64 109.44 2joe s THR 48 Ca 0.09 -1.42 0.00 0.00 -1.21 0.00 0.00 61.69 59.15 2joe s THR 48 Cb 0.14 -2.58 0.07 0.00 -1.51 0.00 0.00 72.50 68.62 2joe s THR 48 CO 0.65 0.00 1.72 0.11 -2.21 0.00 0.00 174.62 174.88 2joe h LYS 49 N 2.12 0.59 -0.67 7.08 1.57 -1.91 -2.78 116.57 122.57 2joe h LYS 49 Ca -0.28 -0.21 0.01 0.00 -1.87 0.00 0.00 60.65 58.29 2joe h LYS 49 Cb 1.24 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 2joe h LYS 49 CO 0.38 0.75 0.44 0.93 -0.57 0.00 0.00 179.45 181.38 2joe h GLU 50 N 0.53 0.88 -0.69 3.15 3.07 -1.99 -0.09 114.58 119.44 2joe h GLU 50 Ca 0.08 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 2joe h GLU 50 Cb 0.63 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.31 2joe h GLU 50 CO 0.04 0.59 0.44 -0.44 -1.40 0.00 0.00 179.01 178.24 2joe h ASP 51 N 0.90 0.81 0.18 1.42 5.19 -1.90 0.46 116.42 123.49 2joe h ASP 51 Ca 0.24 -0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.61 2joe h ASP 51 Cb -0.09 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.21 2joe h ASP 51 CO -0.05 0.60 -0.09 0.00 -3.12 0.00 0.00 179.24 176.59 2joe h ALA 52 N 1.54 -0.25 -0.32 3.45 0.00 -1.25 -3.25 119.26 119.19 2joe h ALA 52 Ca 0.25 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2joe h ALA 52 Cb -0.07 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2joe h ALA 52 CO -0.05 -0.39 0.16 0.00 0.00 0.00 0.00 179.25 178.97 2joe h ALA 53 N -0.09 0.41 0.00 0.00 0.00 -0.81 0.12 119.26 118.89 2joe h ALA 53 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2joe h ALA 53 Cb 0.51 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2joe h ALA 53 CO 0.04 -0.04 0.01 1.57 0.00 0.00 0.00 179.25 180.83 2joe h LYS 54 N 0.38 0.00 0.01 0.00 2.10 -1.03 0.24 116.57 118.27 2joe h LYS 54 Ca 0.11 0.00 -0.40 0.00 -2.00 0.00 0.00 60.65 58.36 2joe h LYS 54 Cb 0.10 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.36 2joe h LYS 54 CO -0.02 0.00 -2.44 2.41 -2.00 0.00 0.00 179.45 177.41 2joe n THR 55 N -2.95 1.52 0.03 0.07 -1.04 -0.88 -4.58 114.28 106.45 2joe n THR 55 Ca -0.03 -0.54 -0.10 0.00 -2.04 0.00 0.00 64.05 61.34 2joe n THR 55 Cb 0.07 -1.53 -0.13 0.00 -1.82 0.00 0.00 70.33 66.92 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 -0.17 0.10 0.09 -4.42 3.38 -0.14 -3.33 115.31 110.82 2joe h LEU 56 Ca -0.59 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.24 2joe h LEU 56 Cb 1.86 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.58 2joe h LEU 56 CO -0.13 1.12 -0.04 -0.33 0.09 0.00 0.00 178.44 179.15 2joe h GLU 57 N 0.02 -0.11 0.00 1.13 5.08 -0.76 0.57 114.58 120.51 2joe h GLU 57 Ca -0.18 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2joe h GLU 57 Cb 1.93 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.20 2joe h GLU 57 CO 0.12 -0.06 0.00 -0.35 -1.00 0.00 0.00 179.01 177.72 2joe n PRO 58 N -5.13 0.14 -0.09 2.33 -0.04 -1.26 -0.57 135.00 130.39 2joe n PRO 58 Ca -0.08 0.53 -0.17 0.00 -0.04 0.00 0.00 63.50 63.74 2joe n PRO 58 Cb 0.08 -1.88 -0.11 0.00 -0.04 0.00 0.00 33.50 31.55 2joe n PRO 58 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2joe h LEU 59 N 0.00 0.00 -0.90 1.53 4.07 -1.41 -3.35 115.31 115.26 2joe h LEU 59 Ca 0.00 -0.70 0.00 0.00 0.08 0.00 0.00 57.88 57.26 2joe h LEU 59 Cb 0.15 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.89 2joe h LEU 59 CO 0.00 1.20 0.00 0.77 -1.08 0.00 0.00 178.44 179.33 2joe h SER 60 N -1.00 0.00 0.06 -0.43 4.64 -0.59 -2.26 113.55 113.97 2joe h SER 60 Ca -0.16 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2joe h SER 60 Cb 1.08 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2joe h SER 60 CO -0.10 0.00 -0.00 0.00 -0.87 0.00 0.00 176.83 175.86 2joe h ALA 61 N 2.20 1.10 0.00 5.18 0.00 -0.96 0.85 119.26 127.63 2joe h ALA 61 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2joe h ALA 61 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2joe h ALA 61 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 2joe n LYS 62 N -3.23 0.38 -0.43 0.00 5.02 -0.85 -2.05 118.16 116.99 2joe n LYS 62 Ca -0.03 0.06 0.06 0.00 -2.02 0.00 0.00 58.31 56.39 2joe n LYS 62 Cb 0.09 -1.50 0.21 0.00 -0.02 0.00 0.00 35.03 33.81 2joe n LYS 62 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2joe n TYR 63 N -1.25 0.68 0.71 2.13 4.01 0.29 -4.46 117.16 119.27 2joe n TYR 63 Ca 0.12 -1.09 0.08 0.00 -0.16 0.00 0.00 57.90 56.85 2joe n TYR 63 Cb 0.17 -0.30 -0.02 0.00 -0.31 0.00 0.00 39.34 38.88 2joe n TYR 63 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2joe n LYS 64 N -0.91 1.74 -0.07 -0.72 4.76 -0.87 -4.58 118.16 117.51 2joe n LYS 64 Ca 0.22 -0.67 0.01 0.00 -2.87 0.00 0.00 58.31 55.00 2joe n LYS 64 Cb 0.85 -1.26 0.01 0.00 -1.84 0.00 0.00 35.03 32.78 2joe n LYS 64 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2joe n ASN 65 N -0.33 0.63 0.00 4.39 6.94 -1.26 -4.97 115.26 120.67 2joe n ASN 65 Ca 0.06 -1.50 0.00 0.00 -0.02 0.00 0.00 54.58 53.12 2joe n ASN 65 Cb 0.32 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.69 2joe n ASN 65 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 2joe n ILE 66 N -0.21 0.00 -1.37 1.53 5.41 -1.26 -5.01 119.36 118.46 2joe n ILE 66 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.76 2joe n ILE 66 Cb 0.47 -0.30 0.00 0.00 -0.71 0.00 0.00 39.64 39.10 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 -3.00 0.00 -0.81 -1.39 0.00 -1.26 -4.62 120.51 109.43 2joe n ALA 67 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 2joe n ALA 67 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 4.63 2.81 3.54 0.00 0.00 -1.26 -4.86 105.19 110.05 2joe n GLY 68 Ca 0.00 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 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 1.92 4.95 0.10 1.61 -7.23 -1.26 -3.48 120.40 116.99 2joe s VAL 69 Ca 0.50 0.25 -0.05 0.00 -1.81 0.00 0.00 61.98 60.88 2joe s VAL 69 Cb 0.21 -4.06 -0.05 0.00 0.56 0.00 0.00 36.38 33.03 2joe s VAL 69 CO -0.01 -0.37 0.33 -1.61 -0.31 0.00 0.00 175.10 173.13 2joe s GLU 70 N 2.55 3.59 0.05 4.82 2.02 -0.13 -4.68 118.70 126.92 2joe s GLU 70 Ca 0.20 -0.13 0.02 0.00 0.02 0.00 0.00 54.97 55.08 2joe s GLU 70 Cb -0.15 -2.94 -0.03 0.00 0.10 0.00 0.00 34.13 31.11 2joe s GLU 70 CO 0.15 0.54 -0.07 -1.83 0.02 0.00 0.00 175.26 174.07 2joe s GLU 71 N -2.39 0.57 -0.29 1.61 4.04 -1.26 0.13 118.70 121.11 2joe s GLU 71 Ca 0.37 -0.86 -0.02 0.00 0.04 0.00 0.00 54.97 54.50 2joe s GLU 71 Cb -0.13 -0.24 0.12 0.00 0.02 0.00 0.00 34.13 33.91 2joe s GLU 71 CO 0.23 0.03 0.23 0.15 -1.84 0.00 0.00 175.26 174.05 2joe s LYS 72 N -2.01 0.27 -0.74 -4.83 1.02 0.66 -5.00 119.74 109.10 2joe s LYS 72 Ca -0.06 -0.30 -0.26 0.00 0.02 0.00 0.00 55.97 55.36 2joe s LYS 72 Cb -0.07 -0.86 0.03 0.00 -0.52 0.00 0.00 37.83 36.41 2joe s LYS 72 CO -0.01 -1.03 1.25 -0.51 -0.92 0.00 0.00 175.35 174.14 2joe s LEU 73 N 2.26 3.30 -0.32 3.17 1.43 -1.26 -1.76 118.68 125.50 2joe s LEU 73 Ca 0.09 -0.53 -0.03 0.00 -1.03 0.00 0.00 54.13 52.63 2joe s LEU 73 Cb -0.15 -2.55 0.05 0.00 0.03 0.00 0.00 46.19 43.58 2joe s LEU 73 CO -0.35 -1.79 0.04 -0.89 0.23 0.00 0.00 176.35 173.59 2joe s THR 74 N 5.55 3.15 -0.21 5.49 2.01 0.18 -4.92 115.64 126.89 2joe s THR 74 Ca 0.34 -1.42 -0.02 0.00 0.31 0.00 0.00 61.69 60.89 2joe s THR 74 Cb -0.09 -2.85 -0.00 0.00 0.01 0.00 0.00 72.50 69.58 2joe s THR 74 CO 0.14 -0.19 -0.09 -0.72 -0.69 0.00 0.00 174.62 173.07 2joe s TYR 75 N 1.26 2.91 -0.01 4.92 -0.85 -1.26 0.22 117.35 124.53 2joe s TYR 75 Ca -0.03 -1.14 -0.21 0.00 -0.52 0.00 0.00 57.07 55.16 2joe s TYR 75 Cb -0.20 -2.05 -0.13 0.00 0.38 0.00 0.00 41.96 39.96 2joe s TYR 75 CO -0.01 -0.62 0.92 1.15 -1.52 0.00 0.00 175.55 175.47 2joe h THR 76 N 5.78 0.21 0.00 -3.49 2.02 -1.88 -3.49 112.91 112.07 2joe h THR 76 Ca -0.43 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.20 2joe h THR 76 Cb 1.15 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 2joe h THR 76 CO 0.61 0.04 0.00 -0.67 0.37 0.00 0.00 175.52 175.88 2joe n ASP 77 N -5.20 0.00 0.04 4.18 2.03 -1.26 -4.96 116.55 111.37 2joe n ASP 77 Ca -0.09 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.33 2joe n ASP 77 Cb 0.28 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.60 2joe n ASP 77 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2joe n THR 78 N 0.00 0.24 -3.86 5.18 -2.24 -1.26 -4.83 114.28 107.51 2joe n THR 78 Ca 0.00 -0.48 -0.09 0.00 -2.27 0.00 0.00 64.05 61.21 2joe n THR 78 Cb 0.00 -0.08 -0.08 0.00 -2.10 0.00 0.00 70.33 68.07 2joe n THR 78 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2joe s TYR 79 N -3.42 0.12 -0.05 4.78 1.13 -1.26 -2.15 117.35 116.50 2joe s TYR 79 Ca -0.04 -0.48 0.07 0.00 -1.41 0.00 0.00 57.07 55.21 2joe s TYR 79 Cb 0.12 -0.05 -0.01 0.00 -1.10 0.00 0.00 41.96 40.92 2joe s TYR 79 CO 0.85 -0.50 -0.25 0.00 -2.51 0.00 0.00 175.55 173.15 2joe s ALA 80 N -3.37 2.17 -0.35 9.51 0.00 0.73 -2.32 121.76 128.13 2joe s ALA 80 Ca 0.01 -1.07 -0.10 0.00 0.00 0.00 0.00 51.96 50.81 2joe s ALA 80 Cb 0.03 -0.65 0.02 0.00 0.00 0.00 0.00 23.12 22.52 2joe s ALA 80 CO -0.08 0.45 0.17 -0.65 0.00 0.00 0.00 175.76 175.65 2joe s GLN 81 N -0.29 3.00 -1.12 0.00 -0.21 0.13 -0.51 119.66 120.65 2joe s GLN 81 Ca 0.00 -0.96 -0.14 0.00 0.02 0.00 0.00 55.36 54.29 2joe s GLN 81 Cb -0.13 -3.64 0.18 0.00 1.00 0.00 0.00 33.01 30.43 2joe s GLN 81 CO 0.02 -0.59 1.30 -2.00 -2.12 0.00 0.00 175.29 171.90 2joe s GLU 82 N 1.56 3.99 -0.55 2.91 2.12 0.03 -0.64 118.70 128.13 2joe s GLU 82 Ca 0.03 -2.52 -0.26 0.00 0.36 0.00 0.00 54.97 52.57 2joe s GLU 82 Cb -0.18 -4.93 0.03 0.00 0.26 0.00 0.00 34.13 29.31 2joe s GLU 82 CO 0.06 -1.67 1.06 1.21 -0.54 0.00 0.00 175.26 175.38 2joe s ASN 83 N 2.73 6.43 -0.30 -1.70 3.84 -0.72 -0.50 114.94 124.71 2joe s ASN 83 Ca 0.38 -0.03 -0.02 0.00 0.21 0.00 0.00 52.86 53.40 2joe s ASN 83 Cb -0.05 -2.50 0.05 0.00 -0.55 0.00 0.00 41.25 38.21 2joe s ASN 83 CO -0.03 -1.31 0.01 -0.69 -2.79 0.00 0.00 177.10 172.28 2joe s VAL 84 N 4.38 3.01 -0.54 -5.21 1.01 0.14 -0.25 120.40 122.95 2joe s VAL 84 Ca 0.38 -1.40 -0.18 0.00 0.00 0.00 0.00 61.98 60.78 2joe s VAL 84 Cb -0.10 -2.74 0.09 0.00 0.00 0.00 0.00 36.38 33.63 2joe s VAL 84 CO 0.24 -0.12 0.61 -0.89 0.00 0.00 0.00 175.10 174.94 2joe s THR 85 N 1.25 4.94 -0.54 3.92 2.01 0.12 0.19 115.64 127.53 2joe s THR 85 Ca -0.05 -0.87 -0.19 0.00 0.31 0.00 0.00 61.69 60.90 2joe s THR 85 Cb -0.20 -4.35 0.08 0.00 0.01 0.00 0.00 72.50 68.04 2joe s THR 85 CO -0.01 -0.91 0.64 -0.63 -0.69 0.00 0.00 174.62 173.03 2joe s ILE 86 N 2.41 4.88 -0.11 1.82 1.01 0.39 -0.96 121.20 130.64 2joe s ILE 86 Ca 0.11 -0.76 -0.30 0.00 0.00 0.00 0.00 60.65 59.70 2joe s ILE 86 Cb -0.23 -4.37 -0.02 0.00 0.01 0.00 0.00 42.46 37.85 2joe s ILE 86 CO 0.08 -0.93 1.27 -0.62 0.00 0.00 0.00 174.94 174.74 2joe s ASP 87 N 3.10 6.96 -0.14 3.58 -1.08 -1.23 -0.14 116.67 127.73 2joe s ASP 87 Ca 0.13 1.79 0.16 0.00 -0.52 0.00 0.00 52.55 54.11 2joe s ASP 87 Cb -0.22 -2.55 0.72 0.00 -1.46 0.00 0.00 42.92 39.42 2joe s ASP 87 CO 0.09 -0.71 1.62 0.23 0.52 0.00 0.00 175.17 176.92 2joe n MET 88 N 6.07 3.92 0.00 4.34 2.81 -0.30 -3.52 117.12 130.44 2joe n MET 88 Ca 0.13 -2.82 0.11 0.00 -1.81 0.00 0.00 57.70 53.31 2joe n MET 88 Cb 0.45 -1.97 -0.15 0.00 -0.71 0.00 0.00 33.22 30.84 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 0.96 0.65 -0.86 0.03 1.02 -1.22 -4.29 120.64 116.93 2joe n GLU 89 Ca 0.25 -0.16 0.05 0.00 -0.02 0.00 0.00 57.16 57.28 2joe n GLU 89 Cb 0.94 -1.55 0.09 0.00 -0.02 0.00 0.00 31.44 30.90 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 -2.30 0.66 -1.73 3.49 4.81 -1.26 -5.10 118.16 116.74 2joe n LYS 90 Ca -0.03 -2.30 -0.42 0.00 -0.87 0.00 0.00 58.31 54.68 2joe n LYS 90 Cb 0.57 -0.78 -0.00 0.00 0.02 0.00 0.00 35.03 34.83 2joe n LYS 90 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 2joe n VAL 91 N -0.35 1.96 -3.68 3.15 0.24 -1.23 -4.36 118.33 114.06 2joe n VAL 91 Ca 0.10 -0.49 -0.38 0.00 -2.04 0.00 0.00 64.34 61.53 2joe n VAL 91 Cb 0.86 -1.72 -0.10 0.00 -1.47 0.00 0.00 33.84 31.41 2joe n VAL 91 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2joe s ASP 92 N -0.22 5.44 0.00 -1.34 2.15 -1.26 -4.93 116.67 116.52 2joe s ASP 92 Ca 0.55 -2.08 0.26 0.00 0.43 0.00 0.00 52.55 51.72 2joe s ASP 92 Cb -0.54 -1.90 1.50 0.00 -0.30 0.00 0.00 42.92 41.68 2joe s ASP 92 CO 0.62 -0.58 1.91 0.49 -0.17 0.00 0.00 175.17 177.44 2joe n PHE 93 N 4.60 0.00 0.02 -5.34 3.72 -1.26 -1.93 117.46 117.27 2joe n PHE 93 Ca -0.03 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.24 2joe n PHE 93 Cb 0.41 -0.07 -0.09 0.00 -0.94 0.00 0.00 39.48 38.78 2joe n PHE 93 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2joe h LYS 94 N 0.00 -0.09 -0.21 -1.08 3.64 -1.94 0.26 116.57 117.15 2joe h LYS 94 Ca 0.00 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 2joe h LYS 94 Cb 0.06 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2joe h LYS 94 CO 0.00 0.37 -0.31 0.00 -2.27 0.00 0.00 179.45 177.23 2joe h ALA 95 N 0.26 0.32 0.00 5.00 0.00 -1.90 -2.96 119.26 119.98 2joe h ALA 95 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2joe h ALA 95 Cb 0.50 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2joe h ALA 95 CO 0.02 0.35 0.00 1.28 0.00 0.00 0.00 179.25 180.90 2joe n LEU 96 N -4.32 0.00 -0.20 0.00 4.77 -0.81 -2.33 117.00 114.11 2joe n LEU 96 Ca -0.05 0.46 -0.05 0.00 -0.03 0.00 0.00 56.01 56.33 2joe n LEU 96 Cb 0.48 -0.46 0.04 0.00 -2.33 0.00 0.00 43.42 41.16 2joe n LEU 96 CO 0.44 -0.27 1.11 -0.61 -1.33 0.00 0.00 177.39 176.73 2joe h GLN 97 N 0.00 0.74 0.00 3.23 4.15 -0.75 -0.80 115.11 121.67 2joe h GLN 97 Ca 0.00 -0.04 -0.24 0.00 0.77 0.00 0.00 58.65 59.13 2joe h GLN 97 Cb 0.19 -0.17 -0.04 0.00 0.21 0.00 0.00 27.48 27.67 2joe h GLN 97 CO 0.00 0.49 -1.99 0.41 -1.93 0.00 0.00 178.83 175.80 2joe n GLY 98 N -1.26 -1.05 0.02 2.39 0.00 -1.05 -4.30 105.19 99.94 2joe n GLY 98 Ca 0.05 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 45.92 2joe n GLY 98 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2joe n ILE 99 N -2.73 0.12 -1.80 -0.61 5.41 -0.98 -4.77 119.36 113.99 2joe n ILE 99 Ca -0.20 -0.07 -0.35 0.00 1.00 0.00 0.00 62.75 63.13 2joe n ILE 99 Cb 0.96 -0.23 -0.03 0.00 -0.71 0.00 0.00 39.64 39.63 2joe n ILE 99 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2joe s SER 100 N -3.36 4.80 0.00 4.38 1.04 -0.31 -4.75 113.70 115.50 2joe s SER 100 Ca 0.12 0.55 0.15 0.00 0.48 0.00 0.00 55.95 57.25 2joe s SER 100 Cb 0.17 -2.52 0.52 0.00 0.10 0.00 0.00 66.02 64.29 2joe s SER 100 CO 0.62 -2.73 1.39 0.61 0.98 0.00 0.00 173.24 174.10 2joe n GLY 101 N 6.00 0.30 2.42 7.32 0.00 -1.26 -4.50 105.19 115.46 2joe n GLY 101 Ca 0.31 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 2joe n GLY 101 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2joe n ILE 102 N 0.30 4.25 -2.31 -0.61 5.41 -1.26 -4.84 119.36 120.30 2joe n ILE 102 Ca 0.13 -2.86 -0.43 0.00 1.00 0.00 0.00 62.75 60.60 2joe n ILE 102 Cb 0.28 -2.56 0.00 0.00 -0.71 0.00 0.00 39.64 36.65 2joe n ILE 102 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 2joe n ASN 103 N 3.88 4.88 -0.09 4.38 5.15 -1.26 -4.27 115.26 127.94 2joe n ASN 103 Ca 0.72 -3.04 -0.16 0.00 -0.60 0.00 0.00 54.58 51.50 2joe n ASN 103 Cb 0.26 -1.53 -0.09 0.00 -0.53 0.00 0.00 39.78 37.89 2joe n ASN 103 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 2joe h VAL 104 N 3.96 0.77 -2.41 3.44 2.07 -1.93 -3.45 116.25 118.70 2joe h VAL 104 Ca 0.42 -1.87 -0.41 0.00 0.82 0.00 0.00 66.70 65.66 2joe h VAL 104 Cb 0.67 1.75 -0.36 0.00 -1.52 0.00 0.00 31.29 31.83 2joe h VAL 104 CO 1.62 0.26 -0.69 -0.94 0.02 0.00 0.00 177.57 177.84 2joe s SER 105 N -6.46 2.39 0.43 0.57 1.04 -1.26 -5.05 113.70 105.37 2joe s SER 105 Ca -0.23 -0.95 0.20 0.00 0.48 0.00 0.00 55.95 55.45 2joe s SER 105 Cb 0.04 0.17 1.15 0.00 0.10 0.00 0.00 66.02 67.47 2joe s SER 105 CO 0.49 -0.41 1.84 0.00 0.98 0.00 0.00 173.24 176.14 2joe h ALA 106 N 8.32 2.31 0.00 5.32 0.00 -1.87 0.18 119.26 133.53 2joe h ALA 106 Ca -0.16 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2joe h ALA 106 Cb 1.05 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2joe h ALA 106 CO 0.37 -0.63 -0.04 0.93 0.00 0.00 0.00 179.25 179.89 2joe h GLU 107 N 0.35 0.00 -0.42 0.00 3.07 -1.96 -2.22 114.58 113.39 2joe h GLU 107 Ca 0.50 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.33 2joe h GLU 107 Cb 1.35 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.24 2joe h GLU 107 CO -0.18 0.04 0.16 -0.44 -1.40 0.00 0.00 179.01 177.19 2joe h ASP 108 N 0.00 0.59 0.21 1.42 5.19 -1.02 -1.46 116.42 121.36 2joe h ASP 108 Ca -0.00 -0.18 -0.17 0.00 -0.62 0.00 0.00 57.03 56.07 2joe h ASP 108 Cb 0.09 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 2joe h ASP 108 CO 0.00 0.61 -0.64 0.00 -3.12 0.00 0.00 179.24 176.10 2joe h ALA 109 N 1.01 0.70 0.00 3.45 0.00 -1.53 -1.36 119.26 121.52 2joe h ALA 109 Ca 0.14 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2joe h ALA 109 Cb 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2joe h ALA 109 CO -0.01 0.73 0.00 0.87 0.00 0.00 0.00 179.25 180.84 2joe h LYS 110 N 0.30 0.00 0.00 0.00 1.57 -1.30 -3.22 116.57 113.91 2joe h LYS 110 Ca -0.01 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.60 2joe h LYS 110 Cb 1.18 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 2joe h LYS 110 CO 0.11 0.00 -1.02 -0.22 -0.57 0.00 0.00 179.45 177.75 2joe h LYS 111 N 0.00 0.00 0.00 3.15 3.64 -1.06 -3.49 116.57 118.81 2joe h LYS 111 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2joe h LYS 111 Cb 0.60 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2joe h LYS 111 CO 0.00 0.75 0.00 0.41 -2.27 0.00 0.00 179.45 178.34 2joe n GLY 112 N 1.49 2.91 3.68 5.01 0.00 -0.53 -5.11 105.19 112.63 2joe n GLY 112 Ca -0.25 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 4.86 0.30 -0.61 -1.09 -1.26 -4.85 121.20 118.56 2joe s ILE 113 Ca 0.00 1.72 0.02 0.00 -2.23 0.00 0.00 60.65 60.16 2joe s ILE 113 Cb 0.00 -4.17 -0.01 0.00 -1.58 0.00 0.00 42.46 36.70 2joe s ILE 113 CO 0.00 0.03 0.07 0.35 -1.23 0.00 0.00 174.94 174.15 2joe n THR 114 N 4.67 0.00 -0.02 2.92 -2.24 -1.26 -4.42 114.28 113.93 2joe n THR 114 Ca 0.05 -1.64 -0.12 0.00 -2.27 0.00 0.00 64.05 60.07 2joe n THR 114 Cb 0.49 0.50 -0.07 0.00 -2.10 0.00 0.00 70.33 69.15 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 0.16 -0.60 -0.78 4.05 -1.15 -0.89 114.93 115.71 2joe h MET 115 Ca -0.24 -0.04 0.10 0.00 -0.28 0.00 0.00 59.70 59.24 2joe h MET 115 Cb 0.85 -0.02 -0.08 0.00 -0.80 0.00 0.00 31.60 31.55 2joe h MET 115 CO 0.39 0.39 0.18 0.00 0.23 0.00 0.00 176.91 178.10 2joe h ALA 116 N 0.76 0.75 0.28 0.39 0.00 -1.96 0.13 119.26 119.62 2joe h ALA 116 Ca 0.03 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2joe h ALA 116 Cb 0.31 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2joe h ALA 116 CO 0.00 -0.25 -0.16 1.96 0.00 0.00 0.00 179.25 180.80 2joe h GLN 117 N 0.33 -0.39 -0.78 0.00 7.50 -1.90 -2.36 115.11 117.51 2joe h GLN 117 Ca 0.31 0.03 0.14 0.00 0.50 0.00 0.00 58.65 59.63 2joe h GLN 117 Cb 0.43 0.09 -0.05 0.00 0.05 0.00 0.00 27.48 27.99 2joe h GLN 117 CO -0.35 -0.26 0.52 1.98 -1.50 0.00 0.00 178.83 179.21 2joe h MET 118 N -0.41 0.47 0.61 1.46 4.05 -0.90 0.42 114.93 120.63 2joe h MET 118 Ca -0.04 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.32 2joe h MET 118 Cb 0.32 -0.11 0.01 0.00 -0.80 0.00 0.00 31.60 31.02 2joe h MET 118 CO 0.05 0.31 -0.29 0.93 0.23 0.00 0.00 176.91 178.14 2joe h GLU 119 N 0.48 -0.79 -0.54 0.39 4.39 -0.73 0.16 114.58 117.95 2joe h GLU 119 Ca 0.38 0.05 -0.03 0.00 0.34 0.00 0.00 59.36 60.11 2joe h GLU 119 Cb 0.80 0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.60 2joe h GLU 119 CO -0.14 -0.53 0.23 -0.07 -1.16 0.00 0.00 179.01 177.34 2joe h LEU 120 N -0.82 0.69 -0.01 1.33 3.38 -0.82 -2.29 115.31 116.78 2joe h LEU 120 Ca -0.08 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 2joe h LEU 120 Cb 0.63 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2joe h LEU 120 CO 0.14 0.62 -0.22 0.58 0.09 0.00 0.00 178.44 179.65 2joe h VAL 121 N 0.76 1.53 -0.12 1.22 2.07 -0.19 -1.60 116.25 119.93 2joe h VAL 121 Ca 0.19 -1.86 -0.14 0.00 0.82 0.00 0.00 66.70 65.70 2joe h VAL 121 Cb 0.13 2.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 2joe h VAL 121 CO -0.02 0.51 -0.54 0.24 0.02 0.00 0.00 177.57 177.78 2joe h MET 122 N -0.49 0.34 0.00 1.57 2.86 -0.65 -2.10 114.93 116.46 2joe h MET 122 Ca -0.02 -0.21 -0.09 0.00 -2.06 0.00 0.00 59.70 57.32 2joe h MET 122 Cb 0.95 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 2joe h MET 122 CO 0.04 0.79 -0.43 0.87 1.06 0.00 0.00 176.91 179.25 2joe h LYS 123 N 0.26 0.00 0.00 1.72 1.57 -1.48 -1.56 116.57 117.09 2joe h LYS 123 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 2joe h LYS 123 Cb 1.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 2joe h LYS 123 CO 0.09 0.43 -0.28 0.00 -0.57 0.00 0.00 179.45 179.12 2joe h ALA 124 N 1.57 1.00 -0.00 3.86 0.00 -0.68 -2.52 119.26 122.49 2joe h ALA 124 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2joe h ALA 124 Cb 0.89 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2joe h ALA 124 CO 0.06 0.35 -0.20 0.00 0.00 0.00 0.00 179.25 179.45 2joe n ALA 125 N -2.25 2.94 -1.98 0.00 0.00 -0.85 -4.92 120.51 113.45 2joe n ALA 125 Ca 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 53.44 53.12 2joe n ALA 125 Cb 0.47 -1.26 -0.00 0.00 0.00 0.00 0.00 19.45 18.66 2joe n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2joe n GLY 126 N 1.35 0.29 3.82 0.00 0.00 -0.95 -5.03 105.19 104.67 2joe n GLY 126 Ca 0.12 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.11 3.54 -0.30 1.61 0.08 -0.62 -5.04 117.98 115.14 2joe s PHE 127 Ca 0.00 1.47 -0.12 0.00 0.12 0.00 0.00 56.93 58.40 2joe s PHE 127 Cb 0.00 -2.70 -0.04 0.00 -0.57 0.00 0.00 43.02 39.71 2joe s PHE 127 CO 0.00 0.19 0.22 0.21 -0.10 0.00 0.00 175.22 175.73 2joe s LYS 128 N -2.40 3.81 -0.80 0.44 2.20 -1.26 -4.63 119.74 117.09 2joe s LYS 128 Ca 0.50 -0.41 -0.26 0.00 -0.36 0.00 0.00 55.97 55.45 2joe s LYS 128 Cb -0.14 -3.71 0.02 0.00 -1.51 0.00 0.00 37.83 32.49 2joe s LYS 128 CO 0.20 -0.27 1.47 -1.83 -0.36 0.00 0.00 175.35 174.56 2joe s GLU 129 N 1.77 3.14 -0.48 4.03 1.03 -1.26 -2.56 118.70 124.37 2joe s GLU 129 Ca 0.07 -0.33 -0.27 0.00 0.03 0.00 0.00 54.97 54.47 2joe s GLU 129 Cb -0.16 -4.59 -0.02 0.00 -0.80 0.00 0.00 34.13 28.56 2joe s GLU 129 CO 0.11 -2.36 1.83 0.08 -1.33 0.00 0.00 175.26 173.58 2joe s VAL 130 N 6.46 3.43 -0.38 1.83 1.01 0.16 -4.90 120.40 128.01 2joe s VAL 130 Ca 0.46 0.36 -0.26 0.00 0.00 0.00 0.00 61.98 62.54 2joe s VAL 130 Cb -0.07 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.53 2joe s VAL 130 CO 0.08 -0.66 0.92 -0.54 0.00 0.00 0.00 175.10 174.91 2joe s LYS 131 N 6.37 3.80 0.00 2.72 1.02 -1.26 -2.94 119.74 129.45 2joe s LYS 131 Ca 0.73 0.51 0.22 0.00 0.02 0.00 0.00 55.97 57.46 2joe s LYS 131 Cb -0.17 -3.82 0.51 0.00 -0.52 0.00 0.00 37.83 33.83 2joe s LYS 131 CO 0.27 -0.98 1.45 1.47 -0.92 0.00 0.00 175.35 176.63 2joe n LEU 132 N 6.82 3.35 -0.05 3.17 -0.00 -1.26 -4.26 117.00 124.78 2joe n LEU 132 Ca 0.07 -1.51 -0.13 0.00 -0.00 0.00 0.00 56.01 54.43 2joe n LEU 132 Cb 0.48 -0.30 -0.07 0.00 -0.00 0.00 0.00 43.42 43.53 2joe n LEU 132 CO 0.59 0.76 0.58 1.05 -0.00 0.00 0.00 177.39 180.37 2joe h GLU 133 N 4.12 0.34 -6.35 1.47 -0.00 -1.90 -3.48 114.58 108.79 2joe h GLU 133 Ca 0.00 -0.19 -0.45 0.00 -0.00 0.00 0.00 59.36 58.72 2joe h GLU 133 Cb 0.92 0.01 0.06 0.00 -0.00 0.00 0.00 28.75 29.74 2joe h GLU 133 CO 0.00 0.76 -0.93 1.58 -0.00 0.00 0.00 179.01 180.42 2joe n HIS 134 N -4.55 -1.86 -1.65 2.06 -0.00 -1.26 -4.80 115.22 103.16 2joe n HIS 134 Ca -0.06 0.42 -0.48 0.00 0.46 0.00 0.00 57.72 58.06 2joe n HIS 134 Cb 0.38 -3.31 -0.05 0.00 -0.12 0.00 0.00 29.99 26.89 2joe n HIS 134 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2joe n HIS 135 N -4.17 2.05 -1.81 1.57 1.44 -1.26 -4.92 115.22 108.12 2joe n HIS 135 Ca -0.10 0.38 -0.30 0.00 -2.01 0.00 0.00 57.72 55.69 2joe n HIS 135 Cb 0.59 -2.48 0.04 0.00 0.12 0.00 0.00 29.99 28.26 2joe n HIS 135 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2joe s HIS 136 N 0.75 3.32 -1.15 -1.40 3.76 -1.26 -4.91 115.29 114.40 2joe s HIS 136 Ca 0.80 1.16 -0.23 0.00 -0.15 0.00 0.00 55.06 56.64 2joe s HIS 136 Cb -0.76 -2.97 -0.08 0.00 1.11 0.00 0.00 32.58 29.88 2joe s HIS 136 CO 0.41 -1.14 1.94 -3.38 -0.85 0.00 0.00 174.74 171.72 2joe s HIS 137 N -3.26 1.92 0.27 1.40 -3.43 -1.26 -4.94 115.29 105.99 2joe s HIS 137 Ca 0.58 0.51 -0.29 0.00 -0.80 0.00 0.00 55.06 55.06 2joe s HIS 137 Cb -0.12 -4.00 -0.09 0.00 -1.43 0.00 0.00 32.58 26.94 2joe s HIS 137 CO 0.53 -1.27 1.25 -3.38 -2.00 0.00 0.00 174.74 169.87 2joe s HIS 138 N 10.99 3.27 0.00 0.38 -3.43 -1.26 -5.36 115.29 119.88 2joe s HIS 138 Ca 0.69 1.43 0.00 0.00 -0.80 0.00 0.00 55.06 56.37 2joe s HIS 138 Cb -0.02 -3.54 0.00 0.00 -1.43 0.00 0.00 32.58 27.59 2joe s HIS 138 CO 0.11 -1.49 0.00 -2.39 -2.00 0.00 0.00 174.74 168.97