#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 1.97 3.59 -5.12 0.00 -1.26 -5.09 105.19 99.28 2joe n GLY 2 Ca 0.00 -1.43 -0.09 0.00 0.00 0.00 0.00 46.02 44.50 2joe n GLY 2 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2joe s ASP 3 N -3.19 -0.03 0.06 1.61 -4.77 -1.26 -5.10 116.67 103.99 2joe s ASP 3 Ca 0.29 -0.97 0.05 0.00 -3.30 0.00 0.00 52.55 48.63 2joe s ASP 3 Cb 0.45 0.60 -0.03 0.00 -1.09 0.00 0.00 42.92 42.85 2joe s ASP 3 CO 0.01 -1.16 -0.15 -0.54 0.70 0.00 0.00 175.17 174.03 2joe s LYS 4 N -3.92 0.94 -0.70 2.11 1.02 -1.26 -5.05 119.74 112.88 2joe s LYS 4 Ca 0.23 -0.87 -0.25 0.00 0.02 0.00 0.00 55.97 55.10 2joe s LYS 4 Cb -0.01 -0.97 0.05 0.00 -0.52 0.00 0.00 37.83 36.38 2joe s LYS 4 CO 0.10 0.23 1.13 -1.21 -0.92 0.00 0.00 175.35 174.68 2joe s GLU 5 N -1.41 3.17 -0.22 1.68 2.02 -1.26 -3.96 118.70 118.71 2joe s GLU 5 Ca 0.01 -0.49 -0.13 0.00 0.02 0.00 0.00 54.97 54.38 2joe s GLU 5 Cb -0.09 -4.19 -0.04 0.00 0.10 0.00 0.00 34.13 29.90 2joe s GLU 5 CO 0.02 -1.97 0.27 -1.21 0.02 0.00 0.00 175.26 172.39 2joe s GLU 6 N 4.93 4.11 -0.15 1.61 2.02 -0.29 -4.90 118.70 126.03 2joe s GLU 6 Ca 0.29 -0.05 -0.06 0.00 0.02 0.00 0.00 54.97 55.17 2joe s GLU 6 Cb -0.12 -3.54 -0.04 0.00 0.10 0.00 0.00 34.13 30.53 2joe s GLU 6 CO 0.13 0.01 0.07 0.45 0.02 0.00 0.00 175.26 175.94 2joe s SER 7 N 1.06 5.74 -0.22 -0.19 0.15 -1.26 0.12 113.70 119.10 2joe s SER 7 Ca 0.13 0.17 0.01 0.00 0.70 0.00 0.00 55.95 56.96 2joe s SER 7 Cb -0.14 -1.90 0.05 0.00 -1.71 0.00 0.00 66.02 62.32 2joe s SER 7 CO 0.06 0.26 -0.07 -0.75 1.20 0.00 0.00 173.24 173.94 2joe s LYS 8 N -0.12 1.73 -0.31 5.44 2.20 0.26 -4.87 119.74 124.08 2joe s LYS 8 Ca 0.07 -0.92 -0.12 0.00 -0.36 0.00 0.00 55.97 54.65 2joe s LYS 8 Cb -0.12 -2.50 -0.03 0.00 -1.51 0.00 0.00 37.83 33.66 2joe s LYS 8 CO 0.01 -0.54 0.21 0.21 -0.36 0.00 0.00 175.35 174.88 2joe s LYS 9 N 1.41 3.73 0.15 4.03 2.20 -1.26 -1.34 119.74 128.66 2joe s LYS 9 Ca -0.04 -0.48 0.10 0.00 -0.36 0.00 0.00 55.97 55.19 2joe s LYS 9 Cb -0.18 -3.72 -0.04 0.00 -1.51 0.00 0.00 37.83 32.38 2joe s LYS 9 CO -0.07 -0.30 -0.17 -0.59 -0.36 0.00 0.00 175.35 173.86 2joe s PHE 10 N 1.74 2.50 -0.14 4.03 -0.12 -0.71 -0.26 117.98 125.02 2joe s PHE 10 Ca 0.07 -0.28 -0.05 0.00 -0.05 0.00 0.00 56.93 56.62 2joe s PHE 10 Cb -0.17 -1.28 0.07 0.00 -0.63 0.00 0.00 43.02 41.02 2joe s PHE 10 CO 0.11 0.45 0.27 0.45 -0.05 0.00 0.00 175.22 176.44 2joe s SER 11 N -2.46 0.44 0.05 1.98 0.15 -0.65 -0.97 113.70 112.25 2joe s SER 11 Ca 0.20 0.51 0.07 0.00 0.70 0.00 0.00 55.95 57.43 2joe s SER 11 Cb -0.09 0.70 -0.03 0.00 -1.71 0.00 0.00 66.02 64.89 2joe s SER 11 CO 0.11 -0.25 -0.19 0.00 1.20 0.00 0.00 173.24 174.11 2joe s ALA 12 N 2.42 1.62 -0.28 5.45 0.00 -0.59 -4.48 121.76 125.91 2joe s ALA 12 Ca 0.02 -1.04 -0.11 0.00 0.00 0.00 0.00 51.96 50.83 2joe s ALA 12 Cb -0.12 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.66 2joe s ALA 12 CO -0.09 0.34 0.19 1.21 0.00 0.00 0.00 175.76 177.41 2joe s ASN 13 N -1.31 6.02 -0.06 0.00 3.84 -1.26 -0.34 114.94 121.84 2joe s ASN 13 Ca 0.06 -0.00 -0.07 0.00 0.21 0.00 0.00 52.86 53.05 2joe s ASN 13 Cb -0.09 -2.12 0.02 0.00 -0.55 0.00 0.00 41.25 38.51 2joe s ASN 13 CO 0.02 -0.04 0.19 -1.48 -2.79 0.00 0.00 177.10 173.00 2joe s LEU 14 N 1.72 1.29 0.00 3.21 0.05 -0.21 -4.84 118.68 119.90 2joe s LEU 14 Ca 0.07 0.26 0.00 0.00 0.05 0.00 0.00 54.13 54.51 2joe s LEU 14 Cb -0.16 0.71 0.00 0.00 -2.05 0.00 0.00 46.19 44.69 2joe s LEU 14 CO 0.11 -0.15 0.00 -3.20 -0.55 0.00 0.00 176.35 172.56 2joe n ASN 15 N 2.59 0.00 0.00 1.48 5.15 -1.26 -0.75 115.26 122.47 2joe n ASN 15 Ca -0.15 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.83 2joe n ASN 15 Cb 0.58 -0.63 0.00 0.00 -0.53 0.00 0.00 39.78 39.20 2joe n ASN 15 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2joe n GLY 16 N -1.87 0.97 3.65 8.20 0.00 -1.26 -4.94 105.19 109.94 2joe n GLY 16 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2joe n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2joe s THR 17 N -2.00 4.20 -0.49 2.61 2.01 0.07 -4.52 115.64 117.51 2joe s THR 17 Ca 0.00 -0.29 -0.19 0.00 0.31 0.00 0.00 61.69 61.52 2joe s THR 17 Cb 0.00 -2.77 0.05 0.00 0.01 0.00 0.00 72.50 69.79 2joe s THR 17 CO 0.00 0.59 0.60 -1.61 -0.69 0.00 0.00 174.62 173.51 2joe s GLU 18 N -0.72 3.14 -0.55 4.92 2.02 -0.64 -1.04 118.70 125.83 2joe s GLU 18 Ca 0.11 -0.81 -0.21 0.00 0.02 0.00 0.00 54.97 54.08 2joe s GLU 18 Cb -0.12 -4.06 0.06 0.00 0.10 0.00 0.00 34.13 30.11 2joe s GLU 18 CO 0.02 -1.14 0.78 0.42 0.02 0.00 0.00 175.26 175.36 2joe s ILE 19 N 2.58 4.64 -0.56 -1.63 1.01 0.54 0.01 121.20 127.79 2joe s ILE 19 Ca 0.16 -0.26 -0.06 0.00 0.00 0.00 0.00 60.65 60.49 2joe s ILE 19 Cb -0.18 -4.44 0.15 0.00 0.01 0.00 0.00 42.46 37.99 2joe s ILE 19 CO 0.13 -1.02 0.40 0.00 0.00 0.00 0.00 174.94 174.46 2joe s ALA 20 N 3.25 3.50 -0.31 9.38 0.00 -0.42 -1.54 121.76 135.62 2joe s ALA 20 Ca 0.21 -2.92 -0.17 0.00 0.00 0.00 0.00 51.96 49.07 2joe s ALA 20 Cb -0.17 -2.75 -0.02 0.00 0.00 0.00 0.00 23.12 20.18 2joe s ALA 20 CO 0.14 -2.01 0.48 0.42 0.00 0.00 0.00 175.76 174.79 2joe s ILE 21 N 0.60 5.06 -0.73 0.00 1.01 -0.14 -2.30 121.20 124.71 2joe s ILE 21 Ca 0.12 0.50 -0.08 0.00 0.00 0.00 0.00 60.65 61.18 2joe s ILE 21 Cb -0.21 -3.88 0.19 0.00 0.01 0.00 0.00 42.46 38.57 2joe s ILE 21 CO -0.03 -0.08 0.60 -0.89 0.00 0.00 0.00 174.94 174.54 2joe s THR 22 N 2.30 4.66 -0.18 2.92 2.01 0.10 -1.74 115.64 125.72 2joe s THR 22 Ca 0.18 -2.72 -0.10 0.00 0.31 0.00 0.00 61.69 59.36 2joe s THR 22 Cb -0.16 -3.94 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 2joe s THR 22 CO 0.12 -0.95 0.15 -0.72 -0.69 0.00 0.00 174.62 172.53 2joe s TYR 23 N 0.04 3.46 -0.30 4.92 1.13 -0.45 -1.15 117.35 125.00 2joe s TYR 23 Ca 0.17 0.41 -0.13 0.00 -1.41 0.00 0.00 57.07 56.12 2joe s TYR 23 Cb -0.15 -2.14 -0.04 0.00 -1.10 0.00 0.00 41.96 38.54 2joe s TYR 23 CO -0.06 0.38 0.25 0.08 -2.51 0.00 0.00 175.55 173.70 2joe s VAL 24 N 0.06 5.26 -0.11 -3.49 1.01 0.15 -0.57 120.40 122.71 2joe s VAL 24 Ca 0.11 0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.20 2joe s VAL 24 Cb -0.11 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 2joe s VAL 24 CO 0.00 0.13 -0.05 -0.72 0.00 0.00 0.00 175.10 174.46 2joe s TYR 25 N 1.84 3.00 -0.35 5.22 1.13 0.12 -1.59 117.35 126.70 2joe s TYR 25 Ca 0.09 -0.14 -0.02 0.00 -1.41 0.00 0.00 57.07 55.59 2joe s TYR 25 Cb -0.16 -1.84 0.08 0.00 -1.10 0.00 0.00 41.96 38.94 2joe s TYR 25 CO 0.11 0.15 0.10 0.21 -2.51 0.00 0.00 175.55 173.61 2joe s LYS 26 N -0.23 2.14 5.87 -3.49 2.20 -0.16 -1.13 119.74 124.94 2joe s LYS 26 Ca 0.04 -1.57 0.00 0.00 -0.36 0.00 0.00 55.97 54.07 2joe s LYS 26 Cb -0.13 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.83 2joe s LYS 26 CO 0.02 -0.85 0.00 0.41 -0.36 0.00 0.00 175.35 174.57 2joe n GLY 27 N 4.57 1.81 0.05 5.54 0.00 -1.25 -3.59 105.19 112.32 2joe n GLY 27 Ca -0.07 -0.52 0.05 0.00 0.00 0.00 0.00 46.02 45.48 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 7.63 0.64 -4.50 1.61 5.75 -1.26 -4.98 116.55 121.44 2joe n ASP 28 Ca 0.00 -0.82 -0.33 0.00 -0.01 0.00 0.00 54.79 53.63 2joe n ASP 28 Cb 0.00 0.89 -0.12 0.00 -1.03 0.00 0.00 41.12 40.86 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 -1.85 3.08 -0.26 0.11 2.20 -1.24 -1.96 119.74 119.82 2joe s LYS 29 Ca 0.05 -0.59 -0.29 0.00 -0.36 0.00 0.00 55.97 54.78 2joe s LYS 29 Cb 0.08 -2.65 0.01 0.00 -1.51 0.00 0.00 37.83 33.76 2joe s LYS 29 CO 0.39 0.46 1.11 0.08 -0.36 0.00 0.00 175.35 177.03 2joe s VAL 30 N -0.26 4.50 -1.05 4.02 1.01 -1.26 -0.99 120.40 126.38 2joe s VAL 30 Ca 0.03 1.78 0.11 0.00 0.00 0.00 0.00 61.98 63.89 2joe s VAL 30 Cb -0.13 -4.29 0.02 0.00 0.00 0.00 0.00 36.38 31.98 2joe s VAL 30 CO 0.03 -0.32 0.69 0.18 0.00 0.00 0.00 175.10 175.68 2joe n LEU 31 N 6.70 1.39 -3.68 3.92 4.77 -0.62 -4.71 117.00 124.77 2joe n LEU 31 Ca 0.13 -0.82 -0.10 0.00 -0.03 0.00 0.00 56.01 55.19 2joe n LEU 31 Cb 0.46 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.46 2joe n LEU 31 CO 0.56 0.27 0.19 -0.54 -1.33 0.00 0.00 177.39 176.54 2joe s LYS 32 N -1.28 0.55 -0.30 3.23 1.02 -0.90 -0.50 119.74 121.57 2joe s LYS 32 Ca 0.10 0.93 0.02 0.00 0.02 0.00 0.00 55.97 57.03 2joe s LYS 32 Cb 0.09 0.10 0.08 0.00 -0.52 0.00 0.00 37.83 37.58 2joe s LYS 32 CO 0.23 -0.14 0.02 -1.14 -0.92 0.00 0.00 175.35 173.40 2joe s GLN 33 N 1.26 1.42 -0.93 1.68 0.74 0.68 0.30 119.66 124.81 2joe s GLN 33 Ca -0.08 -1.40 -0.21 0.00 0.05 0.00 0.00 55.36 53.73 2joe s GLN 33 Cb -0.06 -2.73 0.09 0.00 1.10 0.00 0.00 33.01 31.41 2joe s GLN 33 CO -0.13 -0.82 1.23 -1.12 -0.55 0.00 0.00 175.29 173.91 2joe s SER 34 N 1.22 6.52 -0.44 6.67 0.01 -0.30 -0.23 113.70 127.15 2joe s SER 34 Ca 0.04 -1.68 -0.17 0.00 1.31 0.00 0.00 55.95 55.45 2joe s SER 34 Cb -0.19 -2.47 0.03 0.00 0.21 0.00 0.00 66.02 63.61 2joe s SER 34 CO -0.11 -1.29 0.44 -0.55 0.41 0.00 0.00 173.24 172.14 2joe s SER 35 N 4.13 6.18 -0.20 2.44 0.15 0.14 0.03 113.70 126.57 2joe s SER 35 Ca 0.37 -0.83 0.01 0.00 0.70 0.00 0.00 55.95 56.19 2joe s SER 35 Cb -0.04 -2.22 0.04 0.00 -1.71 0.00 0.00 66.02 62.08 2joe s SER 35 CO -0.07 -0.62 -0.14 -0.70 1.20 0.00 0.00 173.24 172.91 2joe s GLU 36 N 2.08 2.37 -0.28 5.44 2.12 -0.97 -0.19 118.70 129.26 2joe s GLU 36 Ca 0.10 -0.89 -0.13 0.00 0.36 0.00 0.00 54.97 54.41 2joe s GLU 36 Cb -0.19 -2.50 -0.04 0.00 0.26 0.00 0.00 34.13 31.66 2joe s GLU 36 CO 0.12 -0.37 0.29 0.95 -0.54 0.00 0.00 175.26 175.71 2joe s THR 37 N 1.33 5.23 -0.78 -1.70 -4.23 -0.59 -1.30 115.64 113.61 2joe s THR 37 Ca -0.00 0.33 -0.24 0.00 -1.18 0.00 0.00 61.69 60.60 2joe s THR 37 Cb -0.16 -3.64 0.06 0.00 1.34 0.00 0.00 72.50 70.10 2joe s THR 37 CO -0.09 0.17 1.18 -0.75 -0.54 0.00 0.00 174.62 174.59 2joe s LYS 38 N 1.93 3.27 -0.48 3.99 2.20 0.10 -0.91 119.74 129.84 2joe s LYS 38 Ca 0.11 -0.74 -0.15 0.00 -0.36 0.00 0.00 55.97 54.84 2joe s LYS 38 Cb -0.16 -4.46 0.09 0.00 -1.51 0.00 0.00 37.83 31.79 2joe s LYS 38 CO 0.11 -2.01 0.41 0.42 -0.36 0.00 0.00 175.35 173.91 2joe s ILE 39 N 4.74 5.11 0.52 5.43 1.01 0.66 -1.62 121.20 137.06 2joe s ILE 39 Ca 0.32 -1.21 -0.22 0.00 0.00 0.00 0.00 60.65 59.55 2joe s ILE 39 Cb -0.09 -4.12 -0.06 0.00 0.01 0.00 0.00 42.46 38.20 2joe s ILE 39 CO 0.07 -0.64 1.25 -1.10 0.00 0.00 0.00 174.94 174.52 2joe s GLN 40 N 1.61 3.35 0.61 2.79 1.11 -1.26 -0.29 119.66 127.57 2joe s GLN 40 Ca 0.04 1.97 0.35 0.00 0.01 0.00 0.00 55.36 57.73 2joe s GLN 40 Cb -0.25 -2.25 1.99 0.00 -1.01 0.00 0.00 33.01 31.49 2joe s GLN 40 CO 0.05 -0.94 2.27 0.74 0.01 0.00 0.00 175.29 177.42 2joe h PHE 41 N 1.57 0.00 0.00 0.91 0.04 -1.70 0.13 116.94 117.89 2joe h PHE 41 Ca -0.50 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.27 2joe h PHE 41 Cb 1.28 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.43 2joe h PHE 41 CO 0.49 0.01 0.00 0.00 -0.60 0.00 0.00 178.31 178.21 2joe h ALA 42 N 1.99 1.00 0.00 2.45 0.00 -1.85 0.34 119.26 123.19 2joe h ALA 42 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2joe h ALA 42 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2joe h ALA 42 CO 0.00 0.00 -0.53 0.45 0.00 0.00 0.00 179.25 179.17 2joe n SER 43 N -3.08 0.72 -0.03 0.00 2.88 0.44 -3.95 113.62 110.59 2joe n SER 43 Ca 0.02 0.19 -0.02 0.00 -1.33 0.00 0.00 58.87 57.73 2joe n SER 43 Cb 0.39 0.01 -0.07 0.00 -0.75 0.00 0.00 64.21 63.80 2joe n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2joe n ILE 44 N -2.13 0.42 -1.35 2.46 3.06 -1.10 -4.96 119.36 115.75 2joe n ILE 44 Ca 0.04 -0.33 0.00 0.00 -2.50 0.00 0.00 62.75 59.96 2joe n ILE 44 Cb 0.44 -0.44 0.00 0.00 0.54 0.00 0.00 39.64 40.18 2joe n ILE 44 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2joe n GLY 45 N 2.30 0.99 3.58 4.50 0.00 0.11 -5.06 105.19 111.61 2joe n GLY 45 Ca -0.10 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.23 3.51 0.19 4.61 0.00 -0.55 -4.96 121.76 122.32 2joe s ALA 46 Ca 0.00 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 50.93 2joe s ALA 46 Cb 0.00 -2.44 0.05 0.00 0.00 0.00 0.00 23.12 20.73 2joe s ALA 46 CO 0.00 -0.53 1.42 1.79 0.00 0.00 0.00 175.76 178.44 2joe h THR 47 N 5.37 1.52 -3.48 0.00 1.35 -1.95 -3.44 112.91 112.28 2joe h THR 47 Ca -0.35 -2.62 -0.40 0.00 -0.55 0.00 0.00 66.41 62.49 2joe h THR 47 Cb 1.19 2.44 -0.17 0.00 -1.73 0.00 0.00 68.15 69.87 2joe h THR 47 CO 0.56 0.76 -0.75 -0.89 -0.25 0.00 0.00 175.52 174.95 2joe s THR 48 N -3.24 1.32 0.43 6.82 2.01 -1.26 -5.02 115.64 116.71 2joe s THR 48 Ca -0.02 -1.82 0.28 0.00 0.31 0.00 0.00 61.69 60.44 2joe s THR 48 Cb 0.11 -1.63 0.30 0.00 0.01 0.00 0.00 72.50 71.30 2joe s THR 48 CO 0.81 -0.50 2.10 0.07 -0.69 0.00 0.00 174.62 176.41 2joe h LYS 49 N 3.30 0.00 -0.32 4.92 2.10 -1.88 -0.86 116.57 123.83 2joe h LYS 49 Ca -0.39 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.25 2joe h LYS 49 Cb 1.20 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 2joe h LYS 49 CO 0.54 0.10 0.15 1.49 -2.00 0.00 0.00 179.45 179.73 2joe h GLU 50 N 0.00 0.46 -0.74 0.07 4.22 -1.99 -0.71 114.58 115.89 2joe h GLU 50 Ca -0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 59.36 59.35 2joe h GLU 50 Cb 0.29 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 2joe h GLU 50 CO 0.01 0.44 0.41 -0.44 -2.18 0.00 0.00 179.01 177.25 2joe h ASP 51 N 0.38 0.91 0.16 1.04 3.32 -1.61 0.98 116.42 121.60 2joe h ASP 51 Ca 0.11 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2joe h ASP 51 Cb 0.13 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.45 2joe h ASP 51 CO -0.01 0.73 -0.08 0.00 -1.72 0.00 0.00 179.24 178.17 2joe h ALA 52 N 1.42 -0.21 -0.63 3.45 0.00 -0.91 -1.77 119.26 120.61 2joe h ALA 52 Ca 0.26 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2joe h ALA 52 Cb 0.02 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2joe h ALA 52 CO -0.04 -0.60 0.34 0.00 0.00 0.00 0.00 179.25 178.95 2joe h ALA 53 N 0.58 0.81 -0.05 0.00 0.00 -0.78 0.42 119.26 120.24 2joe h ALA 53 Ca -0.02 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.79 2joe h ALA 53 Cb 0.20 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2joe h ALA 53 CO 0.04 0.33 0.12 -0.22 0.00 0.00 0.00 179.25 179.52 2joe h LYS 54 N 0.86 0.00 0.01 0.00 3.64 -0.63 0.50 116.57 120.95 2joe h LYS 54 Ca 0.22 0.00 -0.40 0.00 -1.27 0.00 0.00 60.65 59.20 2joe h LYS 54 Cb 0.05 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.81 2joe h LYS 54 CO -0.03 0.00 -2.42 2.41 -2.27 0.00 0.00 179.45 177.13 2joe n THR 55 N -3.34 1.53 0.05 1.00 -1.04 -0.53 -4.71 114.28 107.23 2joe n THR 55 Ca -0.02 -0.51 0.04 0.00 -2.04 0.00 0.00 64.05 61.52 2joe n THR 55 Cb 0.20 -1.58 -0.06 0.00 -1.82 0.00 0.00 70.33 67.07 2joe n THR 55 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2joe n LEU 56 N -3.57 0.82 -0.03 -4.42 4.77 0.14 -3.81 117.00 110.91 2joe n LEU 56 Ca -0.47 0.35 -0.11 0.00 -0.03 0.00 0.00 56.01 55.76 2joe n LEU 56 Cb 0.96 0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 42.04 2joe n LEU 56 CO 0.21 0.04 0.91 -0.33 -1.33 0.00 0.00 177.39 176.90 2joe h GLU 57 N 0.00 0.20 0.00 3.23 5.08 -1.11 -0.29 114.58 121.69 2joe h GLU 57 Ca -0.12 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2joe h GLU 57 Cb 1.40 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.61 2joe h GLU 57 CO 0.03 0.17 0.00 -0.35 -1.00 0.00 0.00 179.01 177.86 2joe n PRO 58 N -4.96 0.22 0.01 2.33 -0.04 -1.26 -2.87 135.00 128.43 2joe n PRO 58 Ca -0.04 0.14 -0.21 0.00 -0.04 0.00 0.00 63.50 63.35 2joe n PRO 58 Cb 0.05 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.87 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 0.36 -0.27 1.53 5.85 -1.18 -3.32 115.31 118.27 2joe h LEU 59 Ca 0.00 -0.87 0.00 0.00 0.84 0.00 0.00 57.88 57.85 2joe h LEU 59 Cb 0.13 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2joe h LEU 59 CO 0.00 1.51 0.00 0.77 -0.34 0.00 0.00 178.44 180.38 2joe h SER 60 N -0.41 0.00 0.00 1.25 4.64 -1.27 -3.22 113.55 114.54 2joe h SER 60 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2joe h SER 60 Cb 1.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.74 2joe h SER 60 CO 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 2joe n ALA 61 N -1.83 1.74 0.13 5.18 0.00 -1.14 -1.71 120.51 122.89 2joe n ALA 61 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2joe n ALA 61 Cb 0.38 -1.08 0.07 0.00 0.00 0.00 0.00 19.45 18.82 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 0.00 0.00 0.00 1.57 -1.79 -3.36 116.57 112.99 2joe h LYS 62 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2joe h LYS 62 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2joe h LYS 62 CO 0.00 0.63 -0.44 1.88 -0.57 0.00 0.00 179.45 180.95 2joe h TYR 63 N 0.00 0.00 0.00 -1.35 0.05 -1.63 -3.47 116.97 110.56 2joe h TYR 63 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2joe h TYR 63 Cb 1.35 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.09 2joe h TYR 63 CO 0.00 0.70 0.00 1.63 -1.05 0.00 0.00 178.16 179.44 2joe n LYS 64 N -4.60 0.00 -0.75 4.88 5.02 -1.26 -2.64 118.16 118.81 2joe n LYS 64 Ca -0.13 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.21 2joe n LYS 64 Cb 0.38 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.48 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 2.02 1.28 -4.56 4.39 6.94 -1.26 -4.85 115.26 119.22 2joe n ASN 65 Ca 0.00 -2.79 -0.29 0.00 -0.02 0.00 0.00 54.58 51.49 2joe n ASN 65 Cb 0.00 -0.37 -0.05 0.00 -2.36 0.00 0.00 39.78 37.00 2joe n ASN 65 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2joe s ILE 66 N -1.54 3.27 0.00 1.53 1.01 -1.08 -4.67 121.20 119.72 2joe s ILE 66 Ca 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.84 2joe s ILE 66 Cb 0.28 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 39.10 2joe s ILE 66 CO -0.07 -0.62 0.00 0.00 0.00 0.00 0.00 174.94 174.25 2joe n ALA 67 N 14.83 0.00 -2.76 9.38 0.00 -1.26 -1.39 120.51 139.31 2joe n ALA 67 Ca 0.35 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.76 2joe n ALA 67 Cb 0.49 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.99 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 1.69 3.59 0.00 0.00 -1.26 -5.05 105.19 104.16 2joe n GLY 68 Ca 0.00 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.02 4.35 -0.47 1.61 -7.23 -0.49 -3.68 120.40 111.48 2joe s VAL 69 Ca 0.25 1.09 -0.19 0.00 -1.81 0.00 0.00 61.98 61.32 2joe s VAL 69 Cb 0.38 -4.51 0.04 0.00 0.56 0.00 0.00 36.38 32.85 2joe s VAL 69 CO -0.02 -0.88 0.60 -1.61 -0.31 0.00 0.00 175.10 172.88 2joe s GLU 70 N 4.08 3.17 -0.69 4.82 0.41 0.17 -4.80 118.70 125.86 2joe s GLU 70 Ca 0.43 -0.67 -0.18 0.00 -0.41 0.00 0.00 54.97 54.14 2joe s GLU 70 Cb -0.09 -4.02 0.13 0.00 -1.78 0.00 0.00 34.13 28.37 2joe s GLU 70 CO 0.28 -1.07 0.79 -1.83 -0.49 0.00 0.00 175.26 172.93 2joe s GLU 71 N 2.61 3.24 -0.23 1.61 -1.05 -1.26 -0.33 118.70 123.28 2joe s GLU 71 Ca 0.17 -1.61 -0.00 0.00 -0.15 0.00 0.00 54.97 53.38 2joe s GLU 71 Cb -0.17 -4.41 0.03 0.00 -0.44 0.00 0.00 34.13 29.14 2joe s GLU 71 CO 0.15 -1.54 -0.10 0.15 0.95 0.00 0.00 175.26 174.87 2joe s LYS 72 N 2.22 2.79 -0.45 -4.83 1.02 -0.51 -5.02 119.74 114.96 2joe s LYS 72 Ca 0.16 -0.99 -0.15 0.00 0.02 0.00 0.00 55.97 55.01 2joe s LYS 72 Cb -0.18 -2.88 0.05 0.00 -0.52 0.00 0.00 37.83 34.30 2joe s LYS 72 CO 0.01 -0.38 0.36 -0.51 -0.92 0.00 0.00 175.35 173.91 2joe s LEU 73 N 1.29 5.45 -0.40 3.17 1.43 -1.26 -0.71 118.68 127.64 2joe s LEU 73 Ca -0.00 -1.18 -0.13 0.00 -1.03 0.00 0.00 54.13 51.78 2joe s LEU 73 Cb -0.16 -2.18 0.03 0.00 0.03 0.00 0.00 46.19 43.91 2joe s LEU 73 CO -0.06 -0.58 0.27 0.42 0.23 0.00 0.00 176.35 176.63 2joe s THR 74 N 1.66 5.00 -0.45 5.49 -4.23 -0.39 -4.94 115.64 117.77 2joe s THR 74 Ca 0.04 -0.76 -0.19 0.00 -1.18 0.00 0.00 61.69 59.60 2joe s THR 74 Cb -0.22 -3.80 0.03 0.00 1.34 0.00 0.00 72.50 69.85 2joe s THR 74 CO 0.08 -0.30 0.56 -0.31 -0.54 0.00 0.00 174.62 174.11 2joe s TYR 75 N 1.63 3.10 0.00 3.99 2.02 -1.26 -0.52 117.35 126.30 2joe s TYR 75 Ca 0.04 -0.33 0.00 0.00 -0.37 0.00 0.00 57.07 56.41 2joe s TYR 75 Cb -0.19 -3.25 0.00 0.00 -0.40 0.00 0.00 41.96 38.11 2joe s TYR 75 CO 0.09 -0.87 0.00 0.25 -1.57 0.00 0.00 175.55 173.45 2joe n THR 76 N 5.63 0.00 0.14 -0.71 -2.24 -0.96 -5.03 114.28 111.12 2joe n THR 76 Ca -0.05 0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 2joe n THR 76 Cb 0.47 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 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 -1.03 -1.12 -0.01 3.42 2.03 -1.26 -4.95 116.55 113.63 2joe n ASP 77 Ca 0.00 0.51 0.00 0.00 0.52 0.00 0.00 54.79 55.82 2joe n ASP 77 Cb 0.00 1.21 0.00 0.00 -0.72 0.00 0.00 41.12 41.61 2joe n ASP 77 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2joe n THR 78 N -3.30 0.44 -3.79 5.18 5.66 -1.26 -4.85 114.28 112.35 2joe n THR 78 Ca 0.00 -0.72 -0.13 0.00 -3.05 0.00 0.00 64.05 60.16 2joe n THR 78 Cb 0.00 0.78 -0.10 0.00 -1.55 0.00 0.00 70.33 69.47 2joe n THR 78 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 2joe s TYR 79 N -0.44 -0.17 -0.10 1.09 1.13 -1.26 -1.93 117.35 115.67 2joe s TYR 79 Ca 0.00 0.33 0.00 0.00 -1.41 0.00 0.00 57.07 56.00 2joe s TYR 79 Cb 0.00 0.06 -0.02 0.00 -1.10 0.00 0.00 41.96 40.90 2joe s TYR 79 CO 0.00 -0.28 -0.11 0.00 -2.51 0.00 0.00 175.55 172.65 2joe s ALA 80 N -0.84 2.74 -0.40 9.51 0.00 0.61 -2.26 121.76 131.12 2joe s ALA 80 Ca -0.09 -0.90 -0.14 0.00 0.00 0.00 0.00 51.96 50.83 2joe s ALA 80 Cb -0.05 -1.20 0.02 0.00 0.00 0.00 0.00 23.12 21.89 2joe s ALA 80 CO 0.02 0.37 0.27 -0.65 0.00 0.00 0.00 175.76 175.78 2joe s GLN 81 N -0.11 2.95 -1.09 0.00 -0.21 0.32 -0.24 119.66 121.28 2joe s GLN 81 Ca -0.01 -1.02 -0.19 0.00 0.02 0.00 0.00 55.36 54.16 2joe s GLN 81 Cb -0.14 -3.91 0.09 0.00 1.00 0.00 0.00 33.01 30.06 2joe s GLN 81 CO 0.03 -0.73 1.43 -2.00 -2.12 0.00 0.00 175.29 171.91 2joe s GLU 82 N 1.65 3.76 -0.73 2.91 2.12 -0.09 -1.26 118.70 127.07 2joe s GLU 82 Ca 0.04 -1.70 -0.20 0.00 0.36 0.00 0.00 54.97 53.47 2joe s GLU 82 Cb -0.19 -5.25 0.10 0.00 0.26 0.00 0.00 34.13 29.05 2joe s GLU 82 CO 0.09 -2.05 0.95 1.21 -0.54 0.00 0.00 175.26 174.93 2joe s ASN 83 N 4.16 6.32 -0.28 -1.70 3.04 0.11 -1.54 114.94 125.04 2joe s ASN 83 Ca 0.44 -1.43 -0.10 0.00 0.04 0.00 0.00 52.86 51.81 2joe s ASN 83 Cb -0.01 -2.38 -0.03 0.00 -1.54 0.00 0.00 41.25 37.29 2joe s ASN 83 CO -0.04 -1.24 0.15 -0.69 -3.04 0.00 0.00 177.10 172.23 2joe s VAL 84 N 3.28 4.84 -0.53 -5.21 1.01 0.73 -1.42 120.40 123.10 2joe s VAL 84 Ca 0.23 -0.09 -0.14 0.00 0.00 0.00 0.00 61.98 61.98 2joe s VAL 84 Cb -0.15 -3.34 0.13 0.00 0.00 0.00 0.00 36.38 33.02 2joe s VAL 84 CO 0.03 0.22 0.46 -0.89 0.00 0.00 0.00 175.10 174.93 2joe s THR 85 N 1.68 4.92 -0.38 3.92 2.01 0.55 0.23 115.64 128.57 2joe s THR 85 Ca 0.06 -1.64 -0.19 0.00 0.31 0.00 0.00 61.69 60.24 2joe s THR 85 Cb -0.16 -4.17 0.01 0.00 0.01 0.00 0.00 72.50 68.19 2joe s THR 85 CO 0.08 -0.85 0.54 -0.63 -0.69 0.00 0.00 174.62 173.06 2joe s ILE 86 N 1.46 4.98 -0.44 1.82 1.01 0.68 -0.65 121.20 130.05 2joe s ILE 86 Ca 0.05 0.21 -0.28 0.00 0.00 0.00 0.00 60.65 60.62 2joe s ILE 86 Cb -0.28 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.16 2joe s ILE 86 CO 0.01 -0.33 1.52 -0.62 0.00 0.00 0.00 174.94 175.52 2joe s ASP 87 N 1.82 6.13 0.00 3.58 2.15 -1.24 -0.23 116.67 128.88 2joe s ASP 87 Ca 0.19 0.77 0.23 0.00 0.43 0.00 0.00 52.55 54.17 2joe s ASP 87 Cb -0.15 -2.54 0.74 0.00 -0.30 0.00 0.00 42.92 40.67 2joe s ASP 87 CO 0.15 -1.61 1.55 0.23 -0.17 0.00 0.00 175.17 175.32 2joe n MET 88 N 8.35 1.85 0.02 4.34 2.81 0.35 -2.64 117.12 132.20 2joe n MET 88 Ca 0.17 -1.27 -0.07 0.00 -1.81 0.00 0.00 57.70 54.72 2joe n MET 88 Cb 0.48 -1.43 0.11 0.00 -0.71 0.00 0.00 33.22 31.67 2joe n MET 88 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2joe h GLU 89 N 2.70 0.49 -0.39 0.03 5.08 -1.54 -3.32 114.58 117.62 2joe h GLU 89 Ca 0.00 -0.26 -0.28 0.00 -1.00 0.00 0.00 59.36 57.81 2joe h GLU 89 Cb 0.59 0.01 -0.37 0.00 0.50 0.00 0.00 28.75 29.48 2joe h GLU 89 CO 0.00 0.84 -0.98 1.17 -1.00 0.00 0.00 179.01 179.04 2joe n LYS 90 N -4.00 1.86 -1.68 2.33 4.81 -1.22 -5.08 118.16 115.17 2joe n LYS 90 Ca -0.02 -3.38 -0.45 0.00 -0.87 0.00 0.00 58.31 53.59 2joe n LYS 90 Cb 0.54 -1.48 -0.04 0.00 0.02 0.00 0.00 35.03 34.06 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 -0.47 0.00 -2.86 3.15 0.24 -1.08 -4.59 118.33 112.72 2joe n VAL 91 Ca 0.17 -0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.04 2joe n VAL 91 Cb 0.89 -1.60 -0.04 0.00 -1.47 0.00 0.00 33.84 31.62 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 0.94 6.19 0.00 -1.34 2.15 -1.26 -4.87 116.67 118.47 2joe s ASP 92 Ca 0.78 -0.93 0.19 0.00 0.43 0.00 0.00 52.55 53.03 2joe s ASP 92 Cb -0.65 -2.42 1.16 0.00 -0.30 0.00 0.00 42.92 40.71 2joe s ASP 92 CO 0.37 -1.42 1.57 0.49 -0.17 0.00 0.00 175.17 176.01 2joe n PHE 93 N 7.68 0.00 -0.09 -5.34 3.72 -1.26 -1.80 117.46 120.37 2joe n PHE 93 Ca -0.03 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.22 2joe n PHE 93 Cb 0.46 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.92 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 0.00 -0.03 -1.08 3.64 -1.96 -3.35 116.57 113.79 2joe h LYS 94 Ca 0.00 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 2joe h LYS 94 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2joe h LYS 94 CO 0.00 0.59 -0.60 0.00 -2.27 0.00 0.00 179.45 177.17 2joe h ALA 95 N -0.70 0.94 -0.50 5.00 0.00 -1.99 -3.12 119.26 118.89 2joe h ALA 95 Ca -0.21 -0.54 0.13 0.00 0.00 0.00 0.00 54.91 54.29 2joe h ALA 95 Cb 0.97 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2joe h ALA 95 CO -0.12 0.73 0.35 1.25 0.00 0.00 0.00 179.25 181.46 2joe h LEU 96 N 0.09 0.10 -1.08 0.00 6.46 -1.54 -1.48 115.31 117.85 2joe h LEU 96 Ca -0.01 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 2joe h LEU 96 Cb 1.08 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.96 2joe h LEU 96 CO 0.08 0.05 0.35 1.56 -0.62 0.00 0.00 178.44 179.87 2joe h GLN 97 N 0.11 1.00 -0.01 1.25 1.08 -1.67 -0.16 115.11 116.70 2joe h GLN 97 Ca 0.24 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 2joe h GLN 97 Cb 0.81 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 2joe h GLN 97 CO -0.03 0.76 -0.42 0.41 -0.95 0.00 0.00 178.83 178.60 2joe n GLY 98 N -1.12 -0.36 0.00 3.46 0.00 -0.60 -3.91 105.19 102.66 2joe n GLY 98 Ca 0.07 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.45 0.00 0.06 -0.61 5.41 -0.93 -4.85 119.36 118.00 2joe n ILE 99 Ca 0.10 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.63 2joe n ILE 99 Cb 0.40 -0.99 -0.15 0.00 -0.71 0.00 0.00 39.64 38.20 2joe n ILE 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2joe h SER 100 N 0.00 0.55 0.00 4.38 0.02 -1.67 -3.47 113.55 113.35 2joe h SER 100 Ca 0.00 -0.92 0.00 0.00 -0.84 0.00 0.00 61.79 60.03 2joe h SER 100 Cb 0.00 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.36 2joe h SER 100 CO 0.00 1.55 0.00 0.61 -1.14 0.00 0.00 176.83 177.85 2joe n GLY 101 N 1.71 0.97 2.77 -3.77 0.00 -0.13 -4.49 105.19 102.24 2joe n GLY 101 Ca -0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00-10.19 0.19 -0.61 -0.00 -1.26 -4.73 119.36 102.76 2joe n ILE 102 Ca 0.00 0.64 -0.06 0.00 -0.00 0.00 0.00 62.75 63.34 2joe n ILE 102 Cb 0.00 -6.97 0.09 0.00 -0.00 0.00 0.00 39.64 32.77 2joe n ILE 102 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 2joe n ASN 103 N -0.56 3.14 0.05 4.38 6.94 -1.26 -3.18 115.26 124.78 2joe n ASN 103 Ca 0.09 -2.53 -0.18 0.00 -0.02 0.00 0.00 54.58 51.94 2joe n ASN 103 Cb 0.43 -0.61 -0.14 0.00 -2.36 0.00 0.00 39.78 37.10 2joe n ASN 103 CO 0.00 0.00 0.00 0.58 -1.03 0.00 0.00 177.26 176.81 2joe h VAL 104 N 0.72 1.02 -1.41 3.53 2.07 -1.97 -3.44 116.25 116.77 2joe h VAL 104 Ca 0.17 -2.67 -0.09 0.00 0.82 0.00 0.00 66.70 64.93 2joe h VAL 104 Cb 1.52 2.71 -0.25 0.00 -1.52 0.00 0.00 31.29 33.74 2joe h VAL 104 CO 0.35 0.81 -0.46 -0.55 0.02 0.00 0.00 177.57 177.74 2joe s SER 105 N -7.01 -0.48 0.51 0.57 0.15 -1.19 -5.03 113.70 101.22 2joe s SER 105 Ca -0.12 -0.10 0.16 0.00 0.70 0.00 0.00 55.95 56.59 2joe s SER 105 Cb 0.06 1.51 1.23 0.00 -1.71 0.00 0.00 66.02 67.12 2joe s SER 105 CO 0.84 -0.33 2.13 0.00 1.20 0.00 0.00 173.24 177.09 2joe h ALA 106 N 8.09 1.96 0.00 5.45 0.00 -1.85 -1.03 119.26 131.88 2joe h ALA 106 Ca -0.06 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 2joe h ALA 106 Cb 1.15 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2joe h ALA 106 CO 0.22 0.03 -0.66 1.49 0.00 0.00 0.00 179.25 180.32 2joe h GLU 107 N 0.01 0.00 -0.10 0.00 4.81 -1.95 -3.23 114.58 114.13 2joe h GLU 107 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2joe h GLU 107 Cb 0.03 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 2joe h GLU 107 CO 0.00 0.66 0.02 0.22 -0.73 0.00 0.00 179.01 179.19 2joe h ASP 108 N 0.00 0.15 0.51 1.04 3.58 -1.54 0.15 116.42 120.31 2joe h ASP 108 Ca -0.01 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.22 2joe h ASP 108 Cb 1.19 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.20 2joe h ASP 108 CO 0.09 0.34 0.00 0.00 -2.88 0.00 0.00 179.24 176.78 2joe h ALA 109 N 0.82 1.00 0.00 -0.78 0.00 -1.61 0.61 119.26 119.30 2joe h ALA 109 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2joe h ALA 109 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2joe h ALA 109 CO 0.00 0.00 -0.97 1.63 0.00 0.00 0.00 179.25 179.91 2joe n LYS 110 N -2.91 0.08 -0.09 0.00 5.02 -0.85 -4.53 118.16 114.88 2joe n LYS 110 Ca -0.01 -0.01 -0.13 0.00 -2.02 0.00 0.00 58.31 56.13 2joe n LYS 110 Cb 0.18 -1.51 -0.05 0.00 -0.02 0.00 0.00 35.03 33.63 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 -1.60 0.52 0.00 1.97 3.00 0.46 -5.07 118.16 117.43 2joe n LYS 111 Ca 0.04 0.40 0.00 0.00 -0.00 0.00 0.00 58.31 58.74 2joe n LYS 111 Cb 0.36 -1.59 0.00 0.00 0.00 0.00 0.00 35.03 33.80 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 1.47 1.81 3.57 3.14 0.00 0.01 -5.08 105.19 110.12 2joe n GLY 112 Ca -0.22 0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 2joe n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2joe s ILE 113 N 0.00 3.27 0.45 -0.61 -1.09 -1.26 -4.94 121.20 117.02 2joe s ILE 113 Ca 0.00 0.23 0.05 0.00 -2.23 0.00 0.00 60.65 58.69 2joe s ILE 113 Cb 0.00 -3.50 -0.05 0.00 -1.58 0.00 0.00 42.46 37.33 2joe s ILE 113 CO 0.00 -0.41 0.02 0.42 -1.23 0.00 0.00 174.94 173.74 2joe s THR 114 N 8.93 1.69 0.19 2.92 -4.23 -1.26 -4.35 115.64 119.52 2joe s THR 114 Ca 0.83 -1.98 -0.04 0.00 -1.18 0.00 0.00 61.69 59.32 2joe s THR 114 Cb -0.20 -2.66 -0.03 0.00 1.34 0.00 0.00 72.50 70.95 2joe s THR 114 CO 0.28 0.00 1.54 -0.03 -0.54 0.00 0.00 174.62 175.87 2joe h MET 115 N 1.58 0.66 -1.00 3.99 4.05 -1.73 -1.40 114.93 121.07 2joe h MET 115 Ca -0.44 -0.36 0.01 0.00 -0.28 0.00 0.00 59.70 58.63 2joe h MET 115 Cb 1.27 0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 32.04 2joe h MET 115 CO 0.78 0.97 0.66 0.00 0.23 0.00 0.00 176.91 179.55 2joe h ALA 116 N 0.98 1.27 0.57 0.39 0.00 -1.97 0.30 119.26 120.80 2joe h ALA 116 Ca 0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2joe h ALA 116 Cb 0.98 -0.40 0.01 0.00 0.00 0.00 0.00 17.79 18.37 2joe h ALA 116 CO 0.09 0.65 -0.27 1.96 0.00 0.00 0.00 179.25 181.68 2joe h GLN 117 N 1.35 -0.73 -1.01 0.00 7.50 -1.88 -2.42 115.11 117.92 2joe h GLN 117 Ca 0.37 0.05 0.29 0.00 0.50 0.00 0.00 58.65 59.86 2joe h GLN 117 Cb -0.15 0.17 -0.14 0.00 0.05 0.00 0.00 27.48 27.41 2joe h GLN 117 CO -0.08 -0.49 0.58 0.52 -1.50 0.00 0.00 178.83 177.86 2joe h MET 118 N -1.02 0.41 0.75 1.46 2.86 -1.05 0.44 114.93 118.79 2joe h MET 118 Ca -0.08 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.50 2joe h MET 118 Cb 0.58 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 32.16 2joe h MET 118 CO 0.13 0.27 -0.36 1.49 1.06 0.00 0.00 176.91 179.50 2joe h GLU 119 N 0.43 -0.97 -0.09 1.72 4.57 -0.40 -1.61 114.58 118.23 2joe h GLU 119 Ca 0.70 0.07 -0.12 0.00 -1.18 0.00 0.00 59.36 58.82 2joe h GLU 119 Cb 1.50 0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 30.30 2joe h GLU 119 CO -0.55 -0.65 -0.48 -0.07 -1.18 0.00 0.00 179.01 176.08 2joe h LEU 120 N -1.21 0.25 -0.12 1.64 3.38 -0.89 -2.65 115.31 115.70 2joe h LEU 120 Ca -0.10 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 2joe h LEU 120 Cb 0.77 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2joe h LEU 120 CO 0.17 0.69 -0.25 0.58 0.09 0.00 0.00 178.44 179.72 2joe h VAL 121 N 0.19 1.38 -0.34 1.22 2.07 -0.20 -0.25 116.25 120.32 2joe h VAL 121 Ca 0.01 -1.53 -0.11 0.00 0.82 0.00 0.00 66.70 65.89 2joe h VAL 121 Cb 0.92 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 2joe h VAL 121 CO 0.07 0.45 -0.22 0.24 0.02 0.00 0.00 177.57 178.13 2joe h MET 122 N -0.02 0.66 -0.04 1.57 2.86 -1.30 -0.48 114.93 118.18 2joe h MET 122 Ca 0.00 -0.26 -0.09 0.00 -2.06 0.00 0.00 59.70 57.30 2joe h MET 122 Cb 0.85 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 2joe h MET 122 CO 0.06 0.83 -0.37 0.87 1.06 0.00 0.00 176.91 179.35 2joe h LYS 123 N 0.58 0.08 -0.02 1.72 1.57 -1.42 -0.28 116.57 118.81 2joe h LYS 123 Ca 0.08 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.67 2joe h LYS 123 Cb 0.69 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 2joe h LYS 123 CO 0.05 0.45 -0.73 0.00 -0.57 0.00 0.00 179.45 178.65 2joe h ALA 124 N 1.55 0.73 0.00 3.86 0.00 -0.39 -3.04 119.26 121.98 2joe h ALA 124 Ca 0.01 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2joe h ALA 124 Cb 0.70 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2joe h ALA 124 CO 0.05 0.84 0.00 0.00 0.00 0.00 0.00 179.25 180.15 2joe n ALA 125 N -2.44 2.25 -1.40 0.00 0.00 -0.25 -4.91 120.51 113.76 2joe n ALA 125 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2joe n ALA 125 Cb 0.71 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 1.27 0.68 3.80 0.00 0.00 -0.90 -5.05 105.19 104.99 2joe n GLY 126 Ca 0.06 -0.73 -0.37 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 -2.00 3.70 -0.17 1.61 0.08 -0.16 -5.03 117.98 116.00 2joe s PHE 127 Ca 0.00 1.54 -0.05 0.00 0.12 0.00 0.00 56.93 58.54 2joe s PHE 127 Cb 0.00 -2.73 -0.03 0.00 -0.57 0.00 0.00 43.02 39.69 2joe s PHE 127 CO 0.00 0.32 -0.01 -1.59 -0.10 0.00 0.00 175.22 173.84 2joe s LYS 128 N -1.89 3.72 -0.15 0.44 -2.85 -1.26 -4.62 119.74 113.13 2joe s LYS 128 Ca 0.44 -0.48 -0.19 0.00 -1.00 0.00 0.00 55.97 54.74 2joe s LYS 128 Cb -0.18 -3.01 -0.04 0.00 -2.06 0.00 0.00 37.83 32.54 2joe s LYS 128 CO 0.22 0.20 0.52 -1.83 0.10 0.00 0.00 175.35 174.57 2joe s GLU 129 N 0.49 4.29 0.03 1.78 -1.05 -1.26 -1.63 118.70 121.34 2joe s GLU 129 Ca -0.02 0.49 0.02 0.00 -0.15 0.00 0.00 54.97 55.32 2joe s GLU 129 Cb -0.14 -3.49 -0.25 0.00 -0.44 0.00 0.00 34.13 29.81 2joe s GLU 129 CO 0.02 0.01 0.93 0.28 0.95 0.00 0.00 175.26 177.46 2joe h VAL 130 N 4.90 1.24 0.00 1.83 2.07 -0.96 -3.48 116.25 121.85 2joe h VAL 130 Ca -0.38 -2.94 0.00 0.00 0.82 0.00 0.00 66.70 64.20 2joe h VAL 130 Cb 1.17 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 33.66 2joe h VAL 130 CO 0.75 0.80 0.00 1.17 0.02 0.00 0.00 177.57 180.31 2joe n LYS 131 N -3.35 -0.58 -2.88 1.57 4.81 -0.51 -3.96 118.16 113.27 2joe n LYS 131 Ca -0.12 0.14 -0.18 0.00 -0.87 0.00 0.00 58.31 57.28 2joe n LYS 131 Cb 1.02 -3.63 0.03 0.00 0.02 0.00 0.00 35.03 32.47 2joe n LYS 131 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2joe n LEU 132 N 0.00 -2.49 -4.60 3.14 4.77 -1.26 -4.82 117.00 111.74 2joe n LEU 132 Ca 0.00 -0.23 -0.43 0.00 -0.03 0.00 0.00 56.01 55.32 2joe n LEU 132 Cb 0.14 -2.55 -0.02 0.00 -2.33 0.00 0.00 43.42 38.66 2joe n LEU 132 CO 0.00 0.19 1.39 -1.83 -1.33 0.00 0.00 177.39 175.81 2joe s GLU 133 N -5.49 3.42 -0.75 3.23 -1.05 -1.25 -4.93 118.70 111.88 2joe s GLU 133 Ca 0.25 1.14 -0.26 0.00 -0.15 0.00 0.00 54.97 55.95 2joe s GLU 133 Cb -0.11 -4.12 0.04 0.00 -0.44 0.00 0.00 34.13 29.50 2joe s GLU 133 CO 0.31 -1.76 1.24 -1.01 0.95 0.00 0.00 175.26 174.98 2joe s HIS 134 N 6.28 2.38 -0.34 4.83 3.76 -1.26 -4.98 115.29 125.96 2joe s HIS 134 Ca 0.70 -0.21 -0.09 0.00 -0.15 0.00 0.00 55.06 55.30 2joe s HIS 134 Cb -0.18 -4.57 0.01 0.00 1.11 0.00 0.00 32.58 28.95 2joe s HIS 134 CO 0.32 -1.99 0.16 -1.58 -0.85 0.00 0.00 174.74 170.81 2joe s HIS 135 N 5.35 3.21 -0.43 1.40 5.04 -1.26 -5.05 115.29 123.55 2joe s HIS 135 Ca 0.34 -0.88 -0.16 0.00 -1.54 0.00 0.00 55.06 52.82 2joe s HIS 135 Cb -0.09 -2.37 0.03 0.00 0.04 0.00 0.00 32.58 30.19 2joe s HIS 135 CO 0.12 -0.58 0.39 -1.58 -2.34 0.00 0.00 174.74 170.75 2joe s HIS 136 N 1.55 3.20 -0.44 3.88 5.65 -1.26 -5.03 115.29 122.84 2joe s HIS 136 Ca 0.03 -0.56 -0.29 0.00 0.25 0.00 0.00 55.06 54.49 2joe s HIS 136 Cb -0.18 -2.86 0.02 0.00 -1.18 0.00 0.00 32.58 28.38 2joe s HIS 136 CO 0.06 -0.69 1.17 -1.01 -0.65 0.00 0.00 174.74 173.61 2joe s HIS 137 N 1.91 2.81 0.05 3.88 3.76 -1.26 -4.83 115.29 121.62 2joe s HIS 137 Ca 0.08 0.78 0.09 0.00 -0.15 0.00 0.00 55.06 55.87 2joe s HIS 137 Cb -0.19 -4.30 -0.17 0.00 1.11 0.00 0.00 32.58 29.02 2joe s HIS 137 CO 0.11 -1.30 1.22 1.25 -0.85 0.00 0.00 174.74 175.17 2joe h HIS 138 N 9.24 0.00 0.00 1.40 6.17 -2.06 -3.58 115.15 126.32 2joe h HIS 138 Ca -0.23 0.00 0.00 0.00 0.71 0.00 0.00 60.37 60.85 2joe h HIS 138 Cb 1.07 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.00 2joe h HIS 138 CO 0.95 0.92 0.00 1.58 0.71 0.00 0.00 177.93 182.09