#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 5.38 1.85 3.03 0.00 -1.26 -4.72 105.19 109.47 2joe n GLY 2 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 0.00 0.00 0.00 1.61 2.03 -1.26 -5.03 116.55 113.90 2joe n ASP 3 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2joe n ASP 3 Cb 0.00 0.32 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 2joe n ASP 3 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2joe n LYS 4 N -2.39 0.00 -3.60 -0.67 5.02 -1.26 -4.87 118.16 110.39 2joe n LYS 4 Ca 0.00 0.02 -0.40 0.00 -2.02 0.00 0.00 58.31 55.90 2joe n LYS 4 Cb 0.00 -0.18 -0.11 0.00 -0.02 0.00 0.00 35.03 34.72 2joe n LYS 4 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2joe s GLU 5 N -0.22 3.01 -0.10 1.97 2.02 -1.26 -4.39 118.70 119.72 2joe s GLU 5 Ca 0.00 -0.96 -0.07 0.00 0.02 0.00 0.00 54.97 53.96 2joe s GLU 5 Cb 0.00 -3.71 -0.04 0.00 0.10 0.00 0.00 34.13 30.48 2joe s GLU 5 CO 0.00 -0.61 0.17 -1.21 0.02 0.00 0.00 175.26 173.62 2joe s GLU 6 N 1.59 3.48 -0.07 1.61 2.02 0.25 -4.84 118.70 122.74 2joe s GLU 6 Ca 0.03 -0.10 -0.03 0.00 0.02 0.00 0.00 54.97 54.88 2joe s GLU 6 Cb -0.18 -3.18 -0.04 0.00 0.10 0.00 0.00 34.13 30.83 2joe s GLU 6 CO 0.07 0.76 0.10 -1.12 0.02 0.00 0.00 175.26 175.09 2joe s SER 7 N -1.15 5.94 -0.07 -0.19 0.01 -1.25 -0.68 113.70 116.31 2joe s SER 7 Ca 0.17 0.29 -0.04 0.00 1.31 0.00 0.00 55.95 57.69 2joe s SER 7 Cb -0.12 -1.81 0.03 0.00 0.21 0.00 0.00 66.02 64.33 2joe s SER 7 CO 0.07 0.35 0.17 -0.75 0.41 0.00 0.00 173.24 173.48 2joe s LYS 8 N -1.31 0.14 -0.17 12.44 2.20 -0.73 -4.76 119.74 127.55 2joe s LYS 8 Ca 0.18 0.37 -0.04 0.00 -0.36 0.00 0.00 55.97 56.12 2joe s LYS 8 Cb -0.12 -0.10 -0.03 0.00 -1.51 0.00 0.00 37.83 36.07 2joe s LYS 8 CO 0.08 -0.13 -0.02 0.21 -0.36 0.00 0.00 175.35 175.13 2joe s LYS 9 N 0.92 3.68 0.06 4.03 2.47 0.12 0.03 119.74 131.05 2joe s LYS 9 Ca -0.07 -0.51 0.06 0.00 -1.56 0.00 0.00 55.97 53.90 2joe s LYS 9 Cb -0.09 -2.97 -0.03 0.00 -1.46 0.00 0.00 37.83 33.29 2joe s LYS 9 CO -0.05 0.20 -0.18 -0.59 0.16 0.00 0.00 175.35 174.89 2joe s PHE 10 N 0.49 1.54 -0.23 4.03 -0.12 -0.40 -1.68 117.98 121.61 2joe s PHE 10 Ca -0.02 -0.39 -0.04 0.00 -0.05 0.00 0.00 56.93 56.42 2joe s PHE 10 Cb -0.14 -0.88 0.09 0.00 -0.63 0.00 0.00 43.02 41.46 2joe s PHE 10 CO 0.02 0.10 0.17 0.45 -0.05 0.00 0.00 175.22 175.92 2joe s SER 11 N -1.46 2.16 -0.21 1.98 0.15 -0.17 -0.65 113.70 115.51 2joe s SER 11 Ca 0.04 -0.64 -0.04 0.00 0.70 0.00 0.00 55.95 56.00 2joe s SER 11 Cb -0.09 0.06 -0.02 0.00 -1.71 0.00 0.00 66.02 64.27 2joe s SER 11 CO 0.02 -0.37 -0.02 0.00 1.20 0.00 0.00 173.24 174.08 2joe s ALA 12 N 2.23 2.92 -0.72 5.45 0.00 -0.47 -4.15 121.76 127.01 2joe s ALA 12 Ca 0.06 -1.09 -0.19 0.00 0.00 0.00 0.00 51.96 50.75 2joe s ALA 12 Cb -0.16 -1.75 0.12 0.00 0.00 0.00 0.00 23.12 21.34 2joe s ALA 12 CO -0.20 -0.31 0.86 1.21 0.00 0.00 0.00 175.76 177.32 2joe s ASN 13 N 1.28 6.38 -0.81 0.00 2.47 -1.26 -1.08 114.94 121.93 2joe s ASN 13 Ca 0.04 -1.71 -0.23 0.00 0.42 0.00 0.00 52.86 51.37 2joe s ASN 13 Cb -0.14 -2.33 0.06 0.00 -1.45 0.00 0.00 41.25 37.39 2joe s ASN 13 CO -0.00 -1.07 1.19 -0.76 -3.72 0.00 0.00 177.10 172.74 2joe s LEU 14 N 2.52 3.93 0.00 3.21 1.02 -0.25 -4.54 118.68 124.57 2joe s LEU 14 Ca 0.19 -1.10 0.00 0.00 0.02 0.00 0.00 54.13 53.24 2joe s LEU 14 Cb -0.16 -2.49 0.00 0.00 0.02 0.00 0.00 46.19 43.56 2joe s LEU 14 CO 0.01 -1.52 0.00 -3.20 0.02 0.00 0.00 176.35 171.66 2joe n ASN 15 N 8.28 0.00 -0.60 2.29 5.15 -1.26 -1.76 115.26 127.36 2joe n ASN 15 Ca 0.11 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 54.06 2joe n ASN 15 Cb 0.48 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.71 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 0.00 0.20 2.95 8.20 0.00 -1.26 -5.02 105.19 110.25 2joe n GLY 16 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 1.96 -0.91 2.61 2.01 -0.72 -2.47 115.64 118.12 2joe s THR 17 Ca 0.00 -2.17 -0.23 0.00 0.31 0.00 0.00 61.69 59.60 2joe s THR 17 Cb 0.00 -2.45 0.07 0.00 0.01 0.00 0.00 72.50 70.13 2joe s THR 17 CO 0.00 -0.63 1.29 -1.61 -0.69 0.00 0.00 174.62 172.98 2joe s GLU 18 N 1.01 3.46 -0.47 4.92 2.02 0.76 -1.10 118.70 129.31 2joe s GLU 18 Ca 0.11 -1.07 -0.21 0.00 0.02 0.00 0.00 54.97 53.82 2joe s GLU 18 Cb -0.19 -4.91 0.03 0.00 0.10 0.00 0.00 34.13 29.16 2joe s GLU 18 CO -0.12 -2.06 0.69 0.42 0.02 0.00 0.00 175.26 174.21 2joe s ILE 19 N 4.50 4.77 -0.42 -1.63 1.01 -0.24 -0.11 121.20 129.07 2joe s ILE 19 Ca 0.38 0.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.96 2joe s ILE 19 Cb -0.04 -4.27 0.06 0.00 0.01 0.00 0.00 42.46 38.22 2joe s ILE 19 CO -0.03 -0.71 0.29 0.00 0.00 0.00 0.00 174.94 174.49 2joe s ALA 20 N 2.95 3.37 -0.16 9.38 0.00 -0.04 -1.37 121.76 135.89 2joe s ALA 20 Ca 0.23 -2.03 -0.03 0.00 0.00 0.00 0.00 51.96 50.13 2joe s ALA 20 Cb -0.15 -2.76 -0.02 0.00 0.00 0.00 0.00 23.12 20.19 2joe s ALA 20 CO 0.18 -1.61 -0.06 0.42 0.00 0.00 0.00 175.76 174.69 2joe s ILE 21 N 1.52 3.63 -0.25 0.00 1.01 0.17 -0.29 121.20 127.00 2joe s ILE 21 Ca 0.03 -0.45 -0.04 0.00 0.00 0.00 0.00 60.65 60.20 2joe s ILE 21 Cb -0.22 -2.59 0.01 0.00 0.01 0.00 0.00 42.46 39.67 2joe s ILE 21 CO 0.05 0.49 -0.02 -0.89 0.00 0.00 0.00 174.94 174.57 2joe s THR 22 N 0.51 3.35 0.35 2.92 2.01 0.68 -1.27 115.64 124.19 2joe s THR 22 Ca -0.05 -0.73 -0.22 0.00 0.31 0.00 0.00 61.69 61.00 2joe s THR 22 Cb -0.15 -2.64 -0.10 0.00 0.01 0.00 0.00 72.50 69.62 2joe s THR 22 CO 0.03 0.25 0.90 -0.31 -0.69 0.00 0.00 174.62 174.80 2joe s TYR 23 N 1.43 3.51 -0.42 4.92 1.51 0.10 -0.53 117.35 127.88 2joe s TYR 23 Ca 0.03 1.61 0.04 0.00 -1.01 0.00 0.00 57.07 57.74 2joe s TYR 23 Cb -0.16 -2.82 0.11 0.00 -0.11 0.00 0.00 41.96 38.99 2joe s TYR 23 CO -0.02 0.10 0.15 0.08 -1.11 0.00 0.00 175.55 174.74 2joe s VAL 24 N -1.85 2.44 -0.08 0.71 1.01 0.10 -1.77 120.40 120.96 2joe s VAL 24 Ca 0.54 -2.79 -0.00 0.00 0.00 0.00 0.00 61.98 59.73 2joe s VAL 24 Cb -0.14 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 2joe s VAL 24 CO 0.19 -0.69 -0.05 -0.72 0.00 0.00 0.00 175.10 173.82 2joe s TYR 25 N 0.36 2.99 -0.42 5.22 1.13 0.14 -1.64 117.35 125.13 2joe s TYR 25 Ca 0.14 0.01 -0.02 0.00 -1.41 0.00 0.00 57.07 55.78 2joe s TYR 25 Cb -0.22 -1.76 0.11 0.00 -1.10 0.00 0.00 41.96 39.00 2joe s TYR 25 CO -0.04 0.31 0.21 0.21 -2.51 0.00 0.00 175.55 173.73 2joe s LYS 26 N -0.67 2.01 7.21 -3.49 2.20 0.19 -0.59 119.74 126.60 2joe s LYS 26 Ca 0.10 -1.88 0.00 0.00 -0.36 0.00 0.00 55.97 53.83 2joe s LYS 26 Cb -0.11 -3.57 0.00 0.00 -1.51 0.00 0.00 37.83 32.64 2joe s LYS 26 CO 0.02 -1.07 0.00 0.41 -0.36 0.00 0.00 175.35 174.35 2joe n GLY 27 N 4.48 2.29 1.34 5.54 0.00 -1.26 -2.50 105.19 115.08 2joe n GLY 27 Ca -0.01 -0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 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 9.58 2.80 -3.91 1.61 2.03 -1.26 -4.85 116.55 122.55 2joe n ASP 28 Ca 0.00 -3.78 -0.30 0.00 0.52 0.00 0.00 54.79 51.23 2joe n ASP 28 Cb 0.00 -0.66 -0.16 0.00 -0.72 0.00 0.00 41.12 39.59 2joe n ASP 28 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2joe s LYS 29 N -3.29 1.49 -0.87 -0.67 1.02 -1.04 -0.11 119.74 116.26 2joe s LYS 29 Ca 0.47 -0.89 -0.25 0.00 0.02 0.00 0.00 55.97 55.32 2joe s LYS 29 Cb 0.42 -2.50 0.04 0.00 -0.52 0.00 0.00 37.83 35.27 2joe s LYS 29 CO 0.01 -0.59 1.36 0.08 -0.92 0.00 0.00 175.35 175.28 2joe s VAL 30 N 1.47 3.83 -1.14 3.17 1.01 -1.26 0.56 120.40 128.03 2joe s VAL 30 Ca -0.05 -0.17 0.25 0.00 0.00 0.00 0.00 61.98 62.01 2joe s VAL 30 Cb -0.18 -4.98 0.02 0.00 0.00 0.00 0.00 36.38 31.24 2joe s VAL 30 CO -0.07 -1.89 1.38 0.18 0.00 0.00 0.00 175.10 174.70 2joe n LEU 31 N 9.11 0.67 -3.72 3.92 4.77 -0.66 -4.74 117.00 126.35 2joe n LEU 31 Ca 0.17 -0.11 -0.12 0.00 -0.03 0.00 0.00 56.01 55.93 2joe n LEU 31 Cb 0.50 -0.20 -0.10 0.00 -2.33 0.00 0.00 43.42 41.29 2joe n LEU 31 CO 0.68 0.15 0.09 -0.54 -1.33 0.00 0.00 177.39 176.45 2joe s LYS 32 N -2.91 0.46 -0.14 3.23 1.02 -1.01 -0.15 119.74 120.24 2joe s LYS 32 Ca 0.13 0.67 0.00 0.00 0.02 0.00 0.00 55.97 56.79 2joe s LYS 32 Cb 0.18 0.15 0.02 0.00 -0.52 0.00 0.00 37.83 37.66 2joe s LYS 32 CO 0.69 -0.10 -0.12 -1.14 -0.92 0.00 0.00 175.35 173.76 2joe s GLN 33 N 0.65 2.08 -0.54 1.68 0.74 0.67 0.03 119.66 124.98 2joe s GLN 33 Ca -0.03 -0.49 -0.13 0.00 0.05 0.00 0.00 55.36 54.75 2joe s GLN 33 Cb -0.05 -1.99 0.13 0.00 1.10 0.00 0.00 33.01 32.21 2joe s GLN 33 CO -0.04 -0.26 0.47 -1.12 -0.55 0.00 0.00 175.29 173.79 2joe s SER 34 N 1.54 6.07 -0.30 6.67 0.01 0.31 -0.03 113.70 127.98 2joe s SER 34 Ca 0.05 -1.92 -0.10 0.00 1.31 0.00 0.00 55.95 55.29 2joe s SER 34 Cb -0.13 -2.14 -0.02 0.00 0.21 0.00 0.00 66.02 63.94 2joe s SER 34 CO -0.10 -0.78 0.15 -0.44 0.41 0.00 0.00 173.24 172.49 2joe s SER 35 N 3.15 5.61 -0.32 2.44 0.01 0.63 -0.23 113.70 124.98 2joe s SER 35 Ca 0.05 -0.37 -0.01 0.00 1.31 0.00 0.00 55.95 56.93 2joe s SER 35 Cb -0.27 -2.02 0.07 0.00 0.21 0.00 0.00 66.02 64.00 2joe s SER 35 CO 0.01 -0.15 0.04 -1.61 0.41 0.00 0.00 173.24 171.94 2joe s GLU 36 N 1.65 2.24 -0.40 12.44 2.02 0.60 -0.48 118.70 136.78 2joe s GLU 36 Ca 0.05 -1.44 -0.21 0.00 0.02 0.00 0.00 54.97 53.39 2joe s GLU 36 Cb -0.17 -3.24 0.01 0.00 0.10 0.00 0.00 34.13 30.84 2joe s GLU 36 CO 0.07 -0.74 0.69 0.99 0.02 0.00 0.00 175.26 176.29 2joe s THR 37 N 1.19 4.80 -0.61 3.63 2.01 -0.32 -0.86 115.64 125.48 2joe s THR 37 Ca -0.01 0.46 -0.16 0.00 0.31 0.00 0.00 61.69 62.29 2joe s THR 37 Cb -0.20 -4.18 0.15 0.00 0.01 0.00 0.00 72.50 68.28 2joe s THR 37 CO -0.03 -0.49 0.56 -0.75 -0.69 0.00 0.00 174.62 173.23 2joe s LYS 38 N 2.91 3.13 -0.16 4.92 2.20 0.84 0.04 119.74 133.62 2joe s LYS 38 Ca 0.26 -1.87 -0.17 0.00 -0.36 0.00 0.00 55.97 53.83 2joe s LYS 38 Cb -0.14 -4.33 -0.04 0.00 -1.51 0.00 0.00 37.83 31.81 2joe s LYS 38 CO 0.18 -1.33 0.42 0.42 -0.36 0.00 0.00 175.35 174.69 2joe s ILE 39 N 1.30 5.21 -0.05 5.43 1.09 0.71 -0.17 121.20 134.72 2joe s ILE 39 Ca 0.07 0.81 -0.20 0.00 -1.10 0.00 0.00 60.65 60.23 2joe s ILE 39 Cb -0.25 -3.76 -0.05 0.00 -1.06 0.00 0.00 42.46 37.34 2joe s ILE 39 CO 0.00 0.30 0.55 -1.10 -0.10 0.00 0.00 174.94 174.60 2joe s GLN 40 N 0.87 4.30 0.40 2.79 -1.52 -1.03 -1.12 119.66 124.35 2joe s GLN 40 Ca 0.22 0.64 0.08 0.00 -1.95 0.00 0.00 55.36 54.35 2joe s GLN 40 Cb -0.15 -3.37 0.84 0.00 -0.22 0.00 0.00 33.01 30.11 2joe s GLN 40 CO 0.08 0.30 2.01 0.74 -0.25 0.00 0.00 175.29 178.17 2joe h PHE 41 N 6.01 0.42 0.00 0.91 -1.00 -1.72 -0.53 116.94 121.03 2joe h PHE 41 Ca -0.44 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.32 2joe h PHE 41 Cb 1.20 -0.13 -0.00 0.00 3.61 0.00 0.00 35.95 40.62 2joe h PHE 41 CO 0.65 0.34 -0.05 0.00 -1.61 0.00 0.00 178.31 177.64 2joe h ALA 42 N 1.70 1.15 0.07 2.45 0.00 -1.82 0.08 119.26 122.91 2joe h ALA 42 Ca 0.11 -0.05 -0.33 0.00 0.00 0.00 0.00 54.91 54.64 2joe h ALA 42 Cb 0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2joe h ALA 42 CO -0.01 0.07 -1.84 0.43 0.00 0.00 0.00 179.25 177.90 2joe n SER 43 N -3.37 2.03 0.20 0.00 7.64 -0.26 -4.15 113.62 115.71 2joe n SER 43 Ca -0.02 0.26 0.06 0.00 1.01 0.00 0.00 58.87 60.18 2joe n SER 43 Cb 0.20 -0.86 0.38 0.00 -1.01 0.00 0.00 64.21 62.91 2joe n SER 43 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 2joe h ILE 44 N -0.31 0.89 0.00 0.44 2.10 -1.28 -3.47 117.51 115.88 2joe h ILE 44 Ca -0.43 -1.39 0.00 0.00 1.08 0.00 0.00 64.86 64.13 2joe h ILE 44 Cb 1.79 1.84 0.00 0.00 -1.09 0.00 0.00 36.82 39.36 2joe h ILE 44 CO -0.04 0.34 0.00 0.61 -1.08 0.00 0.00 178.15 177.98 2joe n GLY 45 N 0.06 1.17 3.66 8.18 0.00 -0.08 -5.08 105.19 113.11 2joe n GLY 45 Ca -0.01 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.00 3.49 -0.12 4.61 0.00 -0.63 -5.00 121.76 122.11 2joe s ALA 46 Ca 0.00 -0.73 -0.23 0.00 0.00 0.00 0.00 51.96 50.99 2joe s ALA 46 Cb 0.00 -2.00 -0.27 0.00 0.00 0.00 0.00 23.12 20.85 2joe s ALA 46 CO 0.00 0.16 0.67 1.15 0.00 0.00 0.00 175.76 177.74 2joe h THR 47 N 4.82 1.43 -2.63 0.00 2.02 -1.90 -3.40 112.91 113.24 2joe h THR 47 Ca -0.38 -2.38 -0.57 0.00 0.77 0.00 0.00 66.41 63.85 2joe h THR 47 Cb 1.16 3.02 -0.08 0.00 -1.74 0.00 0.00 68.15 70.52 2joe h THR 47 CO 0.72 0.61 -0.58 -0.89 0.37 0.00 0.00 175.52 175.75 2joe s THR 48 N -2.35 4.26 0.24 3.16 2.01 -1.26 -5.00 115.64 116.70 2joe s THR 48 Ca -0.19 -1.25 -0.05 0.00 0.31 0.00 0.00 61.69 60.50 2joe s THR 48 Cb 0.01 -3.20 0.20 0.00 0.01 0.00 0.00 72.50 69.52 2joe s THR 48 CO 0.73 -0.16 1.75 0.50 -0.69 0.00 0.00 174.62 176.74 2joe h LYS 49 N 2.29 0.48 0.00 4.92 3.64 -1.92 -0.21 116.57 125.77 2joe h LYS 49 Ca -0.47 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 58.81 2joe h LYS 49 Cb 1.21 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 2joe h LYS 49 CO 0.61 0.32 -0.33 0.93 -2.27 0.00 0.00 179.45 178.72 2joe h GLU 50 N 0.50 0.00 -0.00 1.90 4.39 -1.97 -1.89 114.58 117.50 2joe h GLU 50 Ca 0.39 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.96 2joe h GLU 50 Cb 0.54 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 2joe h GLU 50 CO -0.36 0.33 -0.64 0.22 -1.16 0.00 0.00 179.01 177.40 2joe h ASP 51 N 0.00 0.02 0.57 1.42 3.58 -1.46 -2.53 116.42 118.02 2joe h ASP 51 Ca -0.00 -0.01 -0.27 0.00 0.42 0.00 0.00 57.03 57.16 2joe h ASP 51 Cb 0.64 -0.01 0.01 0.00 1.72 0.00 0.00 39.33 41.69 2joe h ASP 51 CO 0.04 0.66 -1.23 0.00 -2.88 0.00 0.00 179.24 175.83 2joe h ALA 52 N 1.34 0.10 -0.87 -0.78 0.00 -0.96 -3.31 119.26 114.79 2joe h ALA 52 Ca -0.01 -0.86 0.04 0.00 0.00 0.00 0.00 54.91 54.08 2joe h ALA 52 Cb 1.14 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 2joe h ALA 52 CO 0.08 0.93 0.55 0.00 0.00 0.00 0.00 179.25 180.82 2joe h ALA 53 N 0.57 1.16 0.00 0.00 0.00 -1.09 -0.83 119.26 119.07 2joe h ALA 53 Ca -0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2joe h ALA 53 Cb 1.94 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2joe h ALA 53 CO 0.21 0.36 0.11 0.87 0.00 0.00 0.00 179.25 180.80 2joe h LYS 54 N 1.04 0.00 0.02 0.00 1.57 -1.54 0.15 116.57 117.80 2joe h LYS 54 Ca 0.36 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.74 2joe h LYS 54 Cb 0.07 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.32 2joe h LYS 54 CO -0.14 0.00 -2.38 2.41 -0.57 0.00 0.00 179.45 178.77 2joe n THR 55 N -2.83 1.54 0.11 -0.16 -1.04 -0.42 -4.65 114.28 106.83 2joe n THR 55 Ca -0.02 -0.51 -0.18 0.00 -2.04 0.00 0.00 64.05 61.30 2joe n THR 55 Cb 0.17 -1.60 -0.14 0.00 -1.82 0.00 0.00 70.33 66.94 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 -0.29 0.54 -0.18 -4.42 3.38 -0.58 -3.34 115.31 110.42 2joe h LEU 56 Ca -0.58 -0.57 0.05 0.00 0.09 0.00 0.00 57.88 56.87 2joe h LEU 56 Cb 1.82 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 42.33 2joe h LEU 56 CO -0.16 1.44 -0.26 -0.33 0.09 0.00 0.00 178.44 179.22 2joe h GLU 57 N 0.10 -0.29 -0.95 1.13 4.39 -0.98 -0.40 114.58 117.59 2joe h GLU 57 Ca -0.16 0.02 0.17 0.00 0.34 0.00 0.00 59.36 59.73 2joe h GLU 57 Cb 2.00 0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 30.63 2joe h GLU 57 CO 0.22 -0.19 0.60 -1.35 -1.16 0.00 0.00 179.01 177.13 2joe h PRO 58 N -0.30 0.68 0.20 2.33 0.11 -1.80 -3.10 132.00 130.13 2joe h PRO 58 Ca 0.12 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 2joe h PRO 58 Cb 0.48 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.44 2joe h PRO 58 CO -0.35 0.45 -0.10 -0.07 -0.21 0.00 0.00 178.00 177.72 2joe h LEU 59 N 0.70 -0.23 -1.52 2.35 4.07 -1.21 -3.17 115.31 116.29 2joe h LEU 59 Ca 0.50 -0.29 -0.05 0.00 0.08 0.00 0.00 57.88 58.12 2joe h LEU 59 Cb 0.84 0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.63 2joe h LEU 59 CO -0.26 0.22 -0.24 0.77 -1.08 0.00 0.00 178.44 177.85 2joe h SER 60 N -0.76 0.00 0.01 -0.43 4.64 -1.49 -2.15 113.55 113.38 2joe h SER 60 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2joe h SER 60 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2joe h SER 60 CO 0.05 0.24 0.00 0.00 -0.87 0.00 0.00 176.83 176.25 2joe n ALA 61 N -2.47 1.92 1.61 5.18 0.00 -1.17 -0.80 120.51 124.77 2joe n ALA 61 Ca -0.02 -0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.49 2joe n ALA 61 Cb 0.30 -1.19 0.61 0.00 0.00 0.00 0.00 19.45 19.17 2joe n ALA 61 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2joe n LYS 62 N -1.02 1.49 -0.00 0.00 5.02 -0.81 -3.85 118.16 118.99 2joe n LYS 62 Ca 0.09 -0.72 0.04 0.00 -2.02 0.00 0.00 58.31 55.70 2joe n LYS 62 Cb 0.04 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.52 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 -0.12 0.00 -1.58 2.13 4.01 0.02 -4.94 117.16 116.67 2joe n TYR 63 Ca 0.20 0.00 -0.51 0.00 -0.16 0.00 0.00 57.90 57.42 2joe n TYR 63 Cb 0.28 -0.15 -0.06 0.00 -0.31 0.00 0.00 39.34 39.10 2joe n TYR 63 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 2joe n LYS 64 N -1.66 1.44 -2.36 -0.72 -0.00 -1.25 -2.02 118.16 111.59 2joe n LYS 64 Ca -0.01 0.47 -0.15 0.00 -0.00 0.00 0.00 58.31 58.62 2joe n LYS 64 Cb 0.19 -2.46 -0.00 0.00 -0.00 0.00 0.00 35.03 32.76 2joe n LYS 64 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2joe n ASN 65 N 8.04 -4.60 0.08 -5.58 4.13 -1.26 -4.88 115.26 111.18 2joe n ASN 65 Ca 0.32 -0.04 -0.07 0.00 1.68 0.00 0.00 54.58 56.47 2joe n ASN 65 Cb 0.23 -3.70 0.06 0.00 -1.54 0.00 0.00 39.78 34.84 2joe n ASN 65 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 2joe h ILE 66 N -0.15 1.41 0.00 2.41 2.04 -1.72 -3.49 117.51 118.01 2joe h ILE 66 Ca -0.36 -2.19 0.00 0.00 1.00 0.00 0.00 64.86 63.31 2joe h ILE 66 Cb 1.26 2.15 0.00 0.00 -0.74 0.00 0.00 36.82 39.49 2joe h ILE 66 CO 0.42 0.65 0.00 0.00 0.00 0.00 0.00 178.15 179.22 2joe n ALA 67 N -2.48 0.00 -0.81 1.87 0.00 -1.26 -4.36 120.51 113.48 2joe n ALA 67 Ca -0.03 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.24 2joe n ALA 67 Cb 0.69 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.06 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 0.00 2.88 3.41 0.00 0.00 -1.26 -4.83 105.19 105.38 2joe n GLY 68 Ca 0.00 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.72 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 2.13 3.67 -0.24 1.61 -7.23 -1.25 -1.49 120.40 117.61 2joe s VAL 69 Ca 0.49 -0.41 -0.02 0.00 -1.81 0.00 0.00 61.98 60.23 2joe s VAL 69 Cb 0.19 -2.64 0.02 0.00 0.56 0.00 0.00 36.38 34.51 2joe s VAL 69 CO -0.02 0.45 -0.07 -1.61 -0.31 0.00 0.00 175.10 173.54 2joe s GLU 70 N 0.94 2.90 -0.20 4.82 2.02 0.56 -4.35 118.70 125.40 2joe s GLU 70 Ca 0.00 -0.93 -0.17 0.00 0.02 0.00 0.00 54.97 53.89 2joe s GLU 70 Cb -0.15 -2.94 -0.04 0.00 0.10 0.00 0.00 34.13 31.10 2joe s GLU 70 CO 0.01 -0.36 0.45 -1.83 0.02 0.00 0.00 175.26 173.55 2joe s GLU 71 N 1.33 4.19 -0.36 1.61 -1.05 -1.26 -1.25 118.70 121.91 2joe s GLU 71 Ca 0.01 0.30 0.01 0.00 -0.15 0.00 0.00 54.97 55.14 2joe s GLU 71 Cb -0.16 -3.54 0.11 0.00 -0.44 0.00 0.00 34.13 30.10 2joe s GLU 71 CO -0.05 -0.08 0.15 0.15 0.95 0.00 0.00 175.26 176.38 2joe s LYS 72 N 1.42 0.95 -0.56 -4.83 1.02 -0.58 -5.01 119.74 112.14 2joe s LYS 72 Ca 0.21 -1.45 -0.26 0.00 0.02 0.00 0.00 55.97 54.50 2joe s LYS 72 Cb -0.15 -2.16 0.04 0.00 -0.52 0.00 0.00 37.83 35.04 2joe s LYS 72 CO 0.09 -1.05 1.05 -0.51 -0.92 0.00 0.00 175.35 174.01 2joe s LEU 73 N 1.12 3.81 -0.36 3.17 1.43 -1.26 -0.25 118.68 126.34 2joe s LEU 73 Ca 0.13 -0.15 -0.09 0.00 -1.03 0.00 0.00 54.13 52.99 2joe s LEU 73 Cb -0.20 -2.98 0.03 0.00 0.03 0.00 0.00 46.19 43.08 2joe s LEU 73 CO -0.14 -1.34 0.16 0.42 0.23 0.00 0.00 176.35 175.68 2joe s THR 74 N 4.40 4.23 -0.15 5.49 -4.23 0.16 -4.97 115.64 120.58 2joe s THR 74 Ca 0.36 -0.99 -0.09 0.00 -1.18 0.00 0.00 61.69 59.79 2joe s THR 74 Cb -0.10 -3.38 -0.05 0.00 1.34 0.00 0.00 72.50 70.31 2joe s THR 74 CO 0.22 -0.22 0.17 -0.31 -0.54 0.00 0.00 174.62 173.94 2joe s TYR 75 N 1.49 3.52 0.00 3.99 1.51 -1.26 -0.61 117.35 125.98 2joe s TYR 75 Ca 0.00 0.49 0.00 0.00 -1.01 0.00 0.00 57.07 56.55 2joe s TYR 75 Cb -0.19 -2.09 0.00 0.00 -0.11 0.00 0.00 41.96 39.56 2joe s TYR 75 CO 0.05 0.50 0.00 0.25 -1.11 0.00 0.00 175.55 175.24 2joe n THR 76 N 2.75 0.00 0.00 -0.71 -2.24 -0.79 -5.03 114.28 108.26 2joe n THR 76 Ca -0.17 0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2joe n THR 76 Cb 0.53 -1.10 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 2joe n THR 76 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2joe n ASP 77 N -1.77 0.00 -0.02 3.42 5.68 -1.26 -4.95 116.55 117.65 2joe n ASP 77 Ca 0.00 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.30 2joe n ASP 77 Cb 0.00 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 39.90 2joe n ASP 77 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 2joe n THR 78 N -0.56 0.27 -4.07 2.12 -1.04 -1.26 -4.45 114.28 105.29 2joe n THR 78 Ca 0.00 -0.32 -0.10 0.00 -2.04 0.00 0.00 64.05 61.59 2joe n THR 78 Cb 0.00 -0.13 -0.08 0.00 -1.82 0.00 0.00 70.33 68.29 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 -2.57 0.69 -0.00 -1.42 1.13 -1.26 -2.11 117.35 111.81 2joe s TYR 79 Ca -0.04 -1.03 0.02 0.00 -1.41 0.00 0.00 57.07 54.60 2joe s TYR 79 Cb 0.06 -0.27 -0.01 0.00 -1.10 0.00 0.00 41.96 40.64 2joe s TYR 79 CO 0.44 -0.66 -0.06 0.00 -2.51 0.00 0.00 175.55 172.77 2joe s ALA 80 N -4.03 0.46 -0.17 9.51 0.00 -0.28 -1.89 121.76 125.36 2joe s ALA 80 Ca 0.24 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.94 2joe s ALA 80 Cb 0.05 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.07 2joe s ALA 80 CO 0.03 0.11 -0.16 -0.65 0.00 0.00 0.00 175.76 175.09 2joe s GLN 81 N -0.19 3.14 -0.96 0.00 -0.21 0.22 -0.20 119.66 121.45 2joe s GLN 81 Ca 0.02 -0.77 -0.21 0.00 0.02 0.00 0.00 55.36 54.42 2joe s GLN 81 Cb -0.02 -2.65 0.09 0.00 1.00 0.00 0.00 33.01 31.43 2joe s GLN 81 CO -0.00 -0.10 1.27 -1.21 -2.12 0.00 0.00 175.29 173.14 2joe s GLU 82 N 1.08 3.57 -0.89 2.91 2.02 0.11 -0.66 118.70 126.83 2joe s GLU 82 Ca -0.00 -1.41 -0.25 0.00 0.02 0.00 0.00 54.97 53.33 2joe s GLU 82 Cb -0.14 -5.09 0.03 0.00 0.10 0.00 0.00 34.13 29.03 2joe s GLU 82 CO -0.05 -1.98 1.44 -0.80 0.02 0.00 0.00 175.26 173.89 2joe s ASN 83 N 4.26 6.22 -0.15 -0.19 -0.87 0.66 -1.18 114.94 123.69 2joe s ASN 83 Ca 0.39 -0.94 -0.02 0.00 -1.57 0.00 0.00 52.86 50.71 2joe s ASN 83 Cb -0.03 -2.56 -0.02 0.00 -0.02 0.00 0.00 41.25 38.62 2joe s ASN 83 CO -0.09 -1.76 -0.08 -0.69 -2.57 0.00 0.00 177.10 171.92 2joe s VAL 84 N 5.80 3.48 -0.31 1.60 1.01 0.37 -1.53 120.40 130.81 2joe s VAL 84 Ca 0.45 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.87 2joe s VAL 84 Cb -0.04 -2.51 0.03 0.00 0.00 0.00 0.00 36.38 33.87 2joe s VAL 84 CO 0.01 0.50 0.06 -0.89 0.00 0.00 0.00 175.10 174.78 2joe s THR 85 N 0.48 3.57 -0.36 3.92 2.01 -0.38 -0.27 115.64 124.62 2joe s THR 85 Ca -0.06 -1.09 -0.06 0.00 0.31 0.00 0.00 61.69 60.80 2joe s THR 85 Cb -0.15 -2.97 0.06 0.00 0.01 0.00 0.00 72.50 69.44 2joe s THR 85 CO 0.04 -0.08 0.13 -0.63 -0.69 0.00 0.00 174.62 173.39 2joe s ILE 86 N 1.38 3.68 0.05 1.82 1.01 0.96 -0.32 121.20 129.79 2joe s ILE 86 Ca -0.01 -1.35 -0.31 0.00 0.00 0.00 0.00 60.65 58.98 2joe s ILE 86 Cb -0.19 -3.18 -0.07 0.00 0.01 0.00 0.00 42.46 39.03 2joe s ILE 86 CO 0.01 -0.30 1.43 -0.62 0.00 0.00 0.00 174.94 175.46 2joe s ASP 87 N 1.58 6.81 -0.14 3.58 2.15 -0.56 -0.23 116.67 129.86 2joe s ASP 87 Ca 0.00 2.24 0.16 0.00 0.43 0.00 0.00 52.55 55.37 2joe s ASP 87 Cb -0.21 -2.57 0.58 0.00 -0.30 0.00 0.00 42.92 40.42 2joe s ASP 87 CO 0.01 -0.72 1.49 0.23 -0.17 0.00 0.00 175.17 176.02 2joe n MET 88 N 4.88 3.41 -0.06 4.34 2.81 0.79 -3.48 117.12 129.82 2joe n MET 88 Ca 0.13 -2.77 -0.14 0.00 -1.81 0.00 0.00 57.70 53.11 2joe n MET 88 Cb 0.43 -1.82 -0.14 0.00 -0.71 0.00 0.00 33.22 30.97 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 0.18 0.68 -0.39 0.03 1.02 -1.02 -4.35 120.64 116.79 2joe n GLU 89 Ca 0.22 0.18 0.07 0.00 -0.02 0.00 0.00 57.16 57.60 2joe n GLU 89 Cb 0.86 -1.64 0.21 0.00 -0.02 0.00 0.00 31.44 30.85 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 -3.13 2.08 -1.47 3.49 0.00 -1.26 -5.01 118.16 112.85 2joe n LYS 90 Ca -0.31 -2.85 -0.50 0.00 0.00 0.00 0.00 58.31 54.65 2joe n LYS 90 Cb 1.06 -1.71 -0.06 0.00 0.00 0.00 0.00 35.03 34.32 2joe n LYS 90 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 2joe n VAL 91 N -0.98 0.22 -2.59 3.15 0.24 -1.23 -4.70 118.33 112.45 2joe n VAL 91 Ca 0.21 -0.29 -0.41 0.00 -2.04 0.00 0.00 64.34 61.81 2joe n VAL 91 Cb 0.82 -1.78 -0.03 0.00 -1.47 0.00 0.00 33.84 31.38 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 7.38 6.54 0.35 -1.34 2.15 -1.26 -4.78 116.67 125.71 2joe s ASP 92 Ca 1.08 -1.57 0.26 0.00 0.43 0.00 0.00 52.55 52.74 2joe s ASP 92 Cb -0.78 -2.56 1.22 0.00 -0.30 0.00 0.00 42.92 40.51 2joe s ASP 92 CO 0.47 -1.45 1.79 -0.26 -0.17 0.00 0.00 175.17 175.55 2joe h PHE 93 N 9.56 0.00 -0.12 -5.34 0.04 -1.95 0.14 116.94 119.26 2joe h PHE 93 Ca 0.21 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.97 2joe h PHE 93 Cb 1.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.15 2joe h PHE 93 CO 1.28 0.00 0.00 -0.22 -0.60 0.00 0.00 178.31 178.77 2joe h LYS 94 N 0.00 0.21 -0.02 1.51 3.11 -2.00 -0.74 116.57 118.64 2joe h LYS 94 Ca 0.00 -0.06 -0.17 0.00 -2.81 0.00 0.00 60.65 57.61 2joe h LYS 94 Cb 0.22 -0.02 0.01 0.00 -1.00 0.00 0.00 32.23 31.45 2joe h LYS 94 CO 0.00 0.44 -0.65 0.00 -2.81 0.00 0.00 179.45 176.44 2joe h ALA 95 N 0.76 0.10 0.00 5.00 0.00 -1.83 -3.25 119.26 120.04 2joe h ALA 95 Ca 0.03 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2joe h ALA 95 Cb 0.35 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2joe h ALA 95 CO 0.01 0.41 0.00 -0.07 0.00 0.00 0.00 179.25 179.59 2joe h LEU 96 N 0.01 0.00 -2.74 0.00 3.38 -0.99 -1.01 115.31 113.96 2joe h LEU 96 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2joe h LEU 96 Cb 1.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.09 2joe h LEU 96 CO 0.13 0.00 0.03 -0.61 0.09 0.00 0.00 178.44 178.08 2joe h GLN 97 N 0.00 0.00 -0.02 1.13 4.15 -1.16 0.20 115.11 119.41 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 0.02 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.71 2joe h GLN 97 CO 0.00 0.00 -0.19 0.41 -1.93 0.00 0.00 178.83 177.12 2joe n GLY 98 N -1.18 0.02 0.00 2.39 0.00 -0.38 -4.82 105.19 101.22 2joe n GLY 98 Ca -0.03 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 0.11 0.00 0.00 -0.61 -0.00 0.58 -5.03 119.36 114.41 2joe n ILE 99 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.89 2joe n ILE 99 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.07 2joe n ILE 99 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 2joe n SER 100 N 0.00 0.00 0.00 4.38 7.64 -0.46 -4.69 113.62 120.49 2joe n SER 100 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2joe n SER 100 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2joe n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2joe n GLY 101 N 0.00 0.70 3.73 0.23 0.00 -1.26 -5.05 105.19 103.54 2joe n GLY 101 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.72 5.27 -1.07 -0.61 1.01 -1.26 -5.02 121.20 116.79 2joe s ILE 102 Ca 0.00 0.14 -0.22 0.00 0.00 0.00 0.00 60.65 60.56 2joe s ILE 102 Cb 0.00 -3.38 0.03 0.00 0.01 0.00 0.00 42.46 39.12 2joe s ILE 102 CO 0.00 0.47 1.62 0.20 0.00 0.00 0.00 174.94 177.23 2joe s ASN 103 N 0.18 6.26 0.26 3.58 -0.87 -1.26 -4.89 114.94 118.20 2joe s ASN 103 Ca 0.08 -1.55 -0.08 0.00 -1.57 0.00 0.00 52.86 49.74 2joe s ASN 103 Cb -0.11 -2.57 -0.01 0.00 -0.02 0.00 0.00 41.25 38.53 2joe s ASN 103 CO -0.01 -1.73 0.41 0.54 -2.57 0.00 0.00 177.10 173.74 2joe s VAL 104 N 6.02 0.00 0.70 1.60 0.11 -1.26 -4.94 120.40 122.62 2joe s VAL 104 Ca 0.53 -1.57 -0.02 0.00 -2.93 0.00 0.00 61.98 58.00 2joe s VAL 104 Cb -0.00 -2.36 0.11 0.00 -1.53 0.00 0.00 36.38 32.59 2joe s VAL 104 CO -0.03 0.00 0.97 -0.94 -3.33 0.00 0.00 175.10 171.77 2joe s SER 105 N -3.09 4.50 0.24 3.54 1.04 -1.26 -5.01 113.70 113.65 2joe s SER 105 Ca 0.27 -0.21 0.17 0.00 0.48 0.00 0.00 55.95 56.67 2joe s SER 105 Cb 0.01 -0.27 0.04 0.00 0.10 0.00 0.00 66.02 65.90 2joe s SER 105 CO 0.12 -1.75 1.28 0.00 0.98 0.00 0.00 173.24 173.87 2joe h ALA 106 N -0.47 0.69 -0.02 5.32 0.00 -2.01 -3.19 119.26 119.58 2joe h ALA 106 Ca -0.38 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.06 2joe h ALA 106 Cb 1.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2joe h ALA 106 CO 0.44 0.58 0.00 0.39 0.00 0.00 0.00 179.25 180.66 2joe n GLU 107 N -3.09 1.08 0.02 0.00 4.71 -1.26 -2.52 120.64 119.58 2joe n GLU 107 Ca -0.01 -0.07 0.00 0.00 -0.01 0.00 0.00 57.16 57.07 2joe n GLU 107 Cb 0.72 -1.34 0.00 0.00 -1.01 0.00 0.00 31.44 29.82 2joe n GLU 107 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2joe n ASP 108 N -0.15 0.20 0.16 1.62 -0.08 -1.22 -4.59 116.55 112.49 2joe n ASP 108 Ca 0.01 0.07 -0.14 0.00 -1.51 0.00 0.00 54.79 53.22 2joe n ASP 108 Cb 0.18 -0.03 -0.07 0.00 2.34 0.00 0.00 41.12 43.54 2joe n ASP 108 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2joe h ALA 109 N 0.00 -0.34 -0.09 -1.67 0.00 -1.68 -2.19 119.26 113.29 2joe h ALA 109 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2joe h ALA 109 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2joe h ALA 109 CO 0.00 -0.69 0.00 1.63 0.00 0.00 0.00 179.25 180.19 2joe n LYS 110 N -5.25 1.38 -0.08 0.00 5.02 -1.05 -3.34 118.16 114.85 2joe n LYS 110 Ca -0.09 -0.57 -0.12 0.00 -2.02 0.00 0.00 58.31 55.51 2joe n LYS 110 Cb 0.17 -1.35 -0.15 0.00 -0.02 0.00 0.00 35.03 33.68 2joe n LYS 110 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2joe n LYS 111 N -0.21 0.68 0.00 1.97 3.00 -0.97 -5.00 118.16 117.63 2joe n LYS 111 Ca 0.15 0.10 0.00 0.00 -0.00 0.00 0.00 58.31 58.56 2joe n LYS 111 Cb 0.20 -1.59 0.00 0.00 0.00 0.00 0.00 35.03 33.64 2joe n LYS 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2joe n GLY 112 N 1.80 3.27 3.77 3.14 0.00 -0.87 -5.02 105.19 111.28 2joe n GLY 112 Ca -0.31 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 44.70 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 4.60 0.11 -0.61 -1.09 -1.26 -4.87 121.20 118.08 2joe s ILE 113 Ca 0.00 1.58 0.01 0.00 -2.23 0.00 0.00 60.65 60.01 2joe s ILE 113 Cb 0.00 -4.09 -0.00 0.00 -1.58 0.00 0.00 42.46 36.79 2joe s ILE 113 CO 0.00 0.45 0.03 0.35 -1.23 0.00 0.00 174.94 174.54 2joe n THR 114 N 2.21 0.00 -0.02 2.92 -2.24 -1.26 -4.43 114.28 111.46 2joe n THR 114 Ca -0.05 -0.61 -0.16 0.00 -2.27 0.00 0.00 64.05 60.96 2joe n THR 114 Cb 0.50 0.19 -0.13 0.00 -2.10 0.00 0.00 70.33 68.78 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 0.15 0.00 -0.78 4.05 -0.84 -3.16 114.93 114.35 2joe h MET 115 Ca -0.09 -0.22 -0.02 0.00 -0.28 0.00 0.00 59.70 59.09 2joe h MET 115 Cb 0.32 0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.19 2joe h MET 115 CO 0.15 1.06 -0.08 0.00 0.23 0.00 0.00 176.91 178.26 2joe h ALA 116 N 0.10 1.58 -0.54 0.39 0.00 -1.95 -1.14 119.26 117.70 2joe h ALA 116 Ca -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2joe h ALA 116 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2joe h ALA 116 CO 0.06 0.10 0.00 0.94 0.00 0.00 0.00 179.25 180.35 2joe n GLN 117 N -4.03 0.00 0.03 0.00 -0.06 -1.23 -1.23 117.38 110.87 2joe n GLN 117 Ca -0.03 0.54 0.17 0.00 -2.00 0.00 0.00 57.00 55.68 2joe n GLN 117 Cb 0.17 -1.41 0.65 0.00 -4.06 0.00 0.00 30.24 25.58 2joe n GLN 117 CO 0.00 0.00 0.00 0.52 -0.20 0.00 0.00 177.06 177.38 2joe h MET 118 N 0.00 0.07 0.65 3.69 2.86 -1.47 0.43 114.93 121.16 2joe h MET 118 Ca 0.00 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2joe h MET 118 Cb 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.65 2joe h MET 118 CO 0.00 0.05 -0.35 0.93 1.06 0.00 0.00 176.91 178.60 2joe h GLU 119 N 0.07 -0.89 -0.76 1.72 4.39 -1.11 0.29 114.58 118.30 2joe h GLU 119 Ca 0.21 0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.95 2joe h GLU 119 Cb 0.75 0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 29.56 2joe h GLU 119 CO -0.02 -0.59 0.39 -0.07 -1.16 0.00 0.00 179.01 177.56 2joe h LEU 120 N -0.92 0.98 0.04 1.33 3.38 -0.49 -2.55 115.31 117.07 2joe h LEU 120 Ca -0.09 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 2joe h LEU 120 Cb 0.72 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.23 2joe h LEU 120 CO 0.12 0.82 -0.27 0.58 0.09 0.00 0.00 178.44 179.79 2joe h VAL 121 N 1.06 1.68 -0.08 1.22 2.07 -0.18 -1.59 116.25 120.43 2joe h VAL 121 Ca 0.26 -2.34 -0.15 0.00 0.82 0.00 0.00 66.70 65.28 2joe h VAL 121 Cb 0.09 3.26 -0.01 0.00 -1.52 0.00 0.00 31.29 33.10 2joe h VAL 121 CO -0.04 0.63 -0.62 0.24 0.02 0.00 0.00 177.57 177.80 2joe h MET 122 N -0.75 0.30 0.00 1.57 2.86 -0.50 -2.11 114.93 116.30 2joe h MET 122 Ca -0.05 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.36 2joe h MET 122 Cb 1.18 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.87 2joe h MET 122 CO 0.05 0.83 -0.11 0.87 1.06 0.00 0.00 176.91 179.61 2joe h LYS 123 N 0.22 0.00 -0.11 1.72 1.57 -1.53 -2.68 116.57 115.76 2joe h LYS 123 Ca -0.01 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 2joe h LYS 123 Cb 1.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 2joe h LYS 123 CO 0.10 0.11 -0.54 0.00 -0.57 0.00 0.00 179.45 178.54 2joe h ALA 124 N 1.89 0.87 0.00 3.86 0.00 -0.90 -2.79 119.26 122.20 2joe h ALA 124 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2joe h ALA 124 Cb 0.94 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2joe h ALA 124 CO 0.01 0.69 0.00 0.00 0.00 0.00 0.00 179.25 179.95 2joe h ALA 125 N 1.18 1.00 -0.87 0.00 0.00 -1.06 -3.47 119.26 116.04 2joe h ALA 125 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2joe h ALA 125 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2joe h ALA 125 CO 0.09 0.00 -0.02 0.41 0.00 0.00 0.00 179.25 179.72 2joe n GLY 126 N 0.16 0.73 3.86 0.00 0.00 -1.05 -5.05 105.19 103.83 2joe n GLY 126 Ca 0.02 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.72 3.38 -0.60 1.61 0.08 -1.09 -5.00 117.98 113.63 2joe s PHE 127 Ca 0.02 1.22 -0.20 0.00 0.12 0.00 0.00 56.93 58.08 2joe s PHE 127 Cb -0.01 -2.89 0.08 0.00 -0.57 0.00 0.00 43.02 39.63 2joe s PHE 127 CO 0.02 -1.03 0.80 0.21 -0.10 0.00 0.00 175.22 175.11 2joe s LYS 128 N -5.21 3.09 -0.12 0.44 2.20 -1.26 -4.87 119.74 114.00 2joe s LYS 128 Ca 0.57 -1.04 -0.24 0.00 -0.36 0.00 0.00 55.97 54.90 2joe s LYS 128 Cb -0.12 -4.22 -0.03 0.00 -1.51 0.00 0.00 37.83 31.95 2joe s LYS 128 CO 0.53 -1.60 0.75 -2.00 -0.36 0.00 0.00 175.35 172.68 2joe s GLU 129 N 3.23 4.35 -0.00 4.03 -6.30 -1.26 -0.99 118.70 121.75 2joe s GLU 129 Ca 0.17 0.92 0.02 0.00 -2.50 0.00 0.00 54.97 53.58 2joe s GLU 129 Cb -0.20 -3.52 -0.04 0.00 0.00 0.00 0.00 34.13 30.37 2joe s GLU 129 CO 0.09 -0.14 0.05 0.28 0.02 0.00 0.00 175.26 175.56 2joe n VAL 130 N 4.29 0.01 0.00 3.70 0.31 -0.98 -4.97 118.33 120.69 2joe n VAL 130 Ca 0.01 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 2joe n VAL 130 Cb 0.50 0.35 0.00 0.00 -0.91 0.00 0.00 33.84 33.78 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 -1.62 0.00 0.00 5.55 4.01 -0.68 -4.68 118.16 120.74 2joe n LYS 131 Ca -0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 2joe n LYS 131 Cb 0.10 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.62 2joe n LYS 131 CO 0.00 0.00 0.00 1.47 -1.11 0.00 0.00 177.40 177.76 2joe n LEU 132 N 0.00 0.00 0.06 -0.35 -0.00 -1.26 0.13 117.00 115.58 2joe n LEU 132 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.88 2joe n LEU 132 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 2joe n LEU 132 CO 0.00 0.00 0.20 -0.08 -0.00 0.00 0.00 177.39 177.51 2joe h GLU 133 N 0.00 0.42 -0.28 1.47 4.81 -1.91 -3.09 114.58 116.00 2joe h GLU 133 Ca 0.00 -0.43 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2joe h GLU 133 Cb 0.00 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.50 2joe h GLU 133 CO 0.00 1.09 0.00 1.58 -0.73 0.00 0.00 179.01 180.95 2joe n HIS 134 N -3.76 0.00 -2.19 0.92 -0.00 -1.26 -4.82 115.22 104.10 2joe n HIS 134 Ca -0.06 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.69 2joe n HIS 134 Cb 0.82 -0.03 -0.03 0.00 -0.12 0.00 0.00 29.99 30.63 2joe n HIS 134 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2joe s HIS 135 N -1.69 2.64 -0.13 1.57 -3.43 -1.17 -4.88 115.29 108.20 2joe s HIS 135 Ca 0.00 0.69 0.18 0.00 -0.80 0.00 0.00 55.06 55.13 2joe s HIS 135 Cb 0.00 -3.71 -0.24 0.00 -1.43 0.00 0.00 32.58 27.20 2joe s HIS 135 CO 0.00 -2.70 0.39 0.72 -2.00 0.00 0.00 174.74 171.15 2joe n HIS 136 N 5.97 0.34 -4.01 0.38 8.25 -1.26 -4.91 115.22 119.97 2joe n HIS 136 Ca 0.14 0.12 -0.36 0.00 -0.26 0.00 0.00 57.72 57.35 2joe n HIS 136 Cb 0.43 -0.94 -0.07 0.00 1.12 0.00 0.00 29.99 30.53 2joe n HIS 136 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2joe s HIS 137 N -2.81 3.47 0.20 4.41 5.65 -1.26 -5.10 115.29 119.85 2joe s HIS 137 Ca -0.07 0.42 -0.09 0.00 0.25 0.00 0.00 55.06 55.57 2joe s HIS 137 Cb 0.08 -1.91 -0.07 0.00 -1.18 0.00 0.00 32.58 29.51 2joe s HIS 137 CO 0.84 0.64 0.51 -1.01 -0.65 0.00 0.00 174.74 175.08 2joe s HIS 138 N -0.93 3.46 0.00 3.88 0.09 -1.26 -5.17 115.29 115.35 2joe s HIS 138 Ca 0.14 0.83 0.00 0.00 -0.00 0.00 0.00 55.06 56.03 2joe s HIS 138 Cb -0.12 -2.22 0.00 0.00 -0.00 0.00 0.00 32.58 30.24 2joe s HIS 138 CO 0.03 0.32 0.35 0.72 -0.00 0.00 0.00 174.74 176.16