#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 1.92 0.09 3.03 0.00 -1.26 -5.15 105.19 103.83 2joe n GLY 2 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 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 0.02 -4.85 1.61 -0.08 -1.26 -5.07 116.55 106.92 2joe n ASP 3 Ca 0.00 -1.02 -0.34 0.00 -1.51 0.00 0.00 54.79 51.92 2joe n ASP 3 Cb 0.00 -0.02 -0.06 0.00 2.34 0.00 0.00 41.12 43.38 2joe n ASP 3 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2joe s LYS 4 N -2.62 3.96 -0.32 -0.67 -0.14 -1.26 -4.96 119.74 113.73 2joe s LYS 4 Ca 0.02 0.51 -0.08 0.00 -1.36 0.00 0.00 55.97 55.06 2joe s LYS 4 Cb -0.00 -2.70 0.02 0.00 -1.68 0.00 0.00 37.83 33.47 2joe s LYS 4 CO 0.01 0.33 0.12 -1.83 -0.76 0.00 0.00 175.35 173.22 2joe s GLU 5 N -2.51 2.95 0.16 1.68 -1.05 -1.26 -3.73 118.70 114.93 2joe s GLU 5 Ca 0.46 -0.97 0.06 0.00 -0.15 0.00 0.00 54.97 54.37 2joe s GLU 5 Cb -0.13 -3.49 -0.04 0.00 -0.44 0.00 0.00 34.13 30.03 2joe s GLU 5 CO 0.20 -0.55 0.08 -1.21 0.95 0.00 0.00 175.26 174.72 2joe s GLU 6 N 1.50 2.70 -0.20 -4.83 0.41 0.39 -4.89 118.70 113.78 2joe s GLU 6 Ca 0.02 -0.94 0.01 0.00 -0.41 0.00 0.00 54.97 53.64 2joe s GLU 6 Cb -0.18 -2.54 0.02 0.00 -1.78 0.00 0.00 34.13 29.65 2joe s GLU 6 CO 0.04 0.48 -0.16 -1.12 -0.49 0.00 0.00 175.26 174.01 2joe s SER 7 N -2.95 3.49 -0.23 -0.19 0.01 -1.26 -0.69 113.70 111.88 2joe s SER 7 Ca 0.29 -0.73 -0.03 0.00 1.31 0.00 0.00 55.95 56.79 2joe s SER 7 Cb -0.10 -1.53 0.01 0.00 0.21 0.00 0.00 66.02 64.61 2joe s SER 7 CO 0.21 -0.03 -0.05 -0.75 0.41 0.00 0.00 173.24 173.03 2joe s LYS 8 N 1.29 3.17 -0.06 12.44 2.20 -0.69 -4.85 119.74 133.23 2joe s LYS 8 Ca 0.03 -0.76 -0.09 0.00 -0.36 0.00 0.00 55.97 54.79 2joe s LYS 8 Cb -0.14 -3.00 -0.05 0.00 -1.51 0.00 0.00 37.83 33.13 2joe s LYS 8 CO -0.11 -0.28 0.23 0.21 -0.36 0.00 0.00 175.35 175.05 2joe s LYS 9 N 1.42 3.58 0.10 4.03 2.20 -1.24 -1.39 119.74 128.45 2joe s LYS 9 Ca 0.04 0.00 0.05 0.00 -0.36 0.00 0.00 55.97 55.70 2joe s LYS 9 Cb -0.15 -3.17 -0.03 0.00 -1.51 0.00 0.00 37.83 32.96 2joe s LYS 9 CO -0.04 0.73 -0.13 -0.59 -0.36 0.00 0.00 175.35 174.96 2joe s PHE 10 N -1.10 1.26 -0.03 4.03 -0.12 -0.39 0.11 117.98 121.74 2joe s PHE 10 Ca 0.20 -0.54 0.01 0.00 -0.05 0.00 0.00 56.93 56.55 2joe s PHE 10 Cb -0.13 -0.68 0.01 0.00 -0.63 0.00 0.00 43.02 41.59 2joe s PHE 10 CO 0.09 0.08 -0.04 -1.54 -0.05 0.00 0.00 175.22 173.76 2joe s SER 11 N -2.21 0.76 -0.22 1.98 1.04 -0.78 -1.41 113.70 112.86 2joe s SER 11 Ca 0.04 -0.10 -0.04 0.00 0.48 0.00 0.00 55.95 56.33 2joe s SER 11 Cb -0.06 -0.29 0.08 0.00 0.10 0.00 0.00 66.02 65.84 2joe s SER 11 CO 0.02 -0.02 0.10 0.00 0.98 0.00 0.00 173.24 174.32 2joe s ALA 12 N 0.59 0.63 -0.65 5.32 0.00 -0.24 -4.05 121.76 123.36 2joe s ALA 12 Ca -0.07 -0.70 -0.26 0.00 0.00 0.00 0.00 51.96 50.93 2joe s ALA 12 Cb -0.11 -1.21 0.04 0.00 0.00 0.00 0.00 23.12 21.85 2joe s ALA 12 CO -0.00 -1.37 1.12 1.21 0.00 0.00 0.00 175.76 176.72 2joe s ASN 13 N 2.06 6.26 -0.26 0.00 3.84 -1.26 -0.79 114.94 124.79 2joe s ASN 13 Ca 0.05 -0.42 -0.00 0.00 0.21 0.00 0.00 52.86 52.69 2joe s ASN 13 Cb -0.16 -2.50 0.04 0.00 -0.55 0.00 0.00 41.25 38.08 2joe s ASN 13 CO -0.20 -1.55 -0.07 -1.48 -2.79 0.00 0.00 177.10 171.02 2joe s LEU 14 N 4.84 3.38 -1.64 3.21 0.05 -0.05 -4.65 118.68 123.82 2joe s LEU 14 Ca 0.33 -1.11 0.00 0.00 0.05 0.00 0.00 54.13 53.40 2joe s LEU 14 Cb -0.11 -1.63 0.00 0.00 -2.05 0.00 0.00 46.19 42.40 2joe s LEU 14 CO 0.17 -0.17 0.00 0.59 -0.55 0.00 0.00 176.35 176.39 2joe n ASN 15 N 4.59 -4.88 0.00 1.48 3.02 -1.26 -1.12 115.26 117.08 2joe n ASN 15 Ca -0.15 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 2joe n ASN 15 Cb 0.45 -3.79 0.00 0.00 -0.61 0.00 0.00 39.78 35.82 2joe n ASN 15 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2joe n GLY 16 N -1.04 0.14 3.42 7.41 0.00 -1.26 -4.51 105.19 109.35 2joe n GLY 16 Ca -0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.01 4.71 -0.63 2.61 2.01 -0.28 -2.52 115.64 119.53 2joe s THR 17 Ca 0.00 -0.63 -0.25 0.00 0.31 0.00 0.00 61.69 61.12 2joe s THR 17 Cb 0.00 -4.47 0.05 0.00 0.01 0.00 0.00 72.50 68.08 2joe s THR 17 CO 0.00 -1.09 1.06 -1.61 -0.69 0.00 0.00 174.62 172.29 2joe s GLU 18 N 3.02 3.26 -0.52 4.92 2.02 -0.51 -0.87 118.70 130.01 2joe s GLU 18 Ca 0.16 -0.36 -0.21 0.00 0.02 0.00 0.00 54.97 54.58 2joe s GLU 18 Cb -0.20 -4.13 0.05 0.00 0.10 0.00 0.00 34.13 29.95 2joe s GLU 18 CO 0.10 -1.76 0.76 0.42 0.02 0.00 0.00 175.26 174.80 2joe s ILE 19 N 4.51 4.66 -0.57 -1.63 1.01 0.03 0.03 121.20 129.24 2joe s ILE 19 Ca 0.31 -0.13 -0.03 0.00 0.00 0.00 0.00 60.65 60.80 2joe s ILE 19 Cb -0.12 -4.40 0.15 0.00 0.01 0.00 0.00 42.46 38.10 2joe s ILE 19 CO 0.16 -0.93 0.38 0.00 0.00 0.00 0.00 174.94 174.56 2joe s ALA 20 N 3.21 3.48 -0.32 9.38 0.00 -0.31 -1.07 121.76 136.13 2joe s ALA 20 Ca 0.22 -3.09 -0.18 0.00 0.00 0.00 0.00 51.96 48.91 2joe s ALA 20 Cb -0.16 -2.60 -0.01 0.00 0.00 0.00 0.00 23.12 20.35 2joe s ALA 20 CO 0.15 -2.03 0.49 0.42 0.00 0.00 0.00 175.76 174.79 2joe s ILE 21 N 0.22 5.05 -0.61 0.00 1.01 -0.50 -2.18 121.20 124.19 2joe s ILE 21 Ca 0.15 0.50 -0.13 0.00 0.00 0.00 0.00 60.65 61.16 2joe s ILE 21 Cb -0.21 -3.89 0.16 0.00 0.01 0.00 0.00 42.46 38.52 2joe s ILE 21 CO -0.03 -0.09 0.54 -0.89 0.00 0.00 0.00 174.94 174.47 2joe s THR 22 N 2.32 5.03 -0.19 2.92 2.01 0.13 -1.26 115.64 126.61 2joe s THR 22 Ca 0.19 -1.92 -0.10 0.00 0.31 0.00 0.00 61.69 60.16 2joe s THR 22 Cb -0.16 -4.21 -0.05 0.00 0.01 0.00 0.00 72.50 68.10 2joe s THR 22 CO 0.12 -0.90 0.14 -0.72 -0.69 0.00 0.00 174.62 172.57 2joe s TYR 23 N 1.04 3.43 -0.24 4.92 -0.85 -0.48 -2.00 117.35 123.16 2joe s TYR 23 Ca 0.09 0.36 -0.14 0.00 -0.52 0.00 0.00 57.07 56.86 2joe s TYR 23 Cb -0.23 -2.16 -0.04 0.00 0.38 0.00 0.00 41.96 39.91 2joe s TYR 23 CO -0.02 0.31 0.33 0.08 -1.52 0.00 0.00 175.55 174.74 2joe s VAL 24 N 0.29 5.23 0.11 -3.49 1.01 0.13 -1.71 120.40 121.97 2joe s VAL 24 Ca 0.09 0.52 0.10 0.00 0.00 0.00 0.00 61.98 62.69 2joe s VAL 24 Cb -0.11 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2joe s VAL 24 CO -0.01 0.23 -0.25 -0.72 0.00 0.00 0.00 175.10 174.35 2joe s TYR 25 N 1.60 2.12 -0.31 5.22 1.13 0.14 -0.58 117.35 126.67 2joe s TYR 25 Ca 0.14 -0.39 0.01 0.00 -1.41 0.00 0.00 57.07 55.42 2joe s TYR 25 Cb -0.15 -1.17 0.09 0.00 -1.10 0.00 0.00 41.96 39.63 2joe s TYR 25 CO 0.08 0.26 0.05 0.15 -2.51 0.00 0.00 175.55 173.58 2joe s LYS 26 N -1.86 1.16 5.98 -3.49 1.02 0.31 -0.47 119.74 122.40 2joe s LYS 26 Ca 0.11 -1.35 0.00 0.00 0.02 0.00 0.00 55.97 54.75 2joe s LYS 26 Cb -0.10 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.66 2joe s LYS 26 CO 0.05 -0.90 0.00 0.41 -0.92 0.00 0.00 175.35 173.99 2joe n GLY 27 N 4.60 1.82 0.15 -3.33 0.00 -1.24 -3.33 105.19 103.85 2joe n GLY 27 Ca -0.02 -0.50 0.01 0.00 0.00 0.00 0.00 46.02 45.52 2joe n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2joe n ASP 28 N 7.86 2.04 -4.86 1.61 8.00 -1.26 -4.98 116.55 124.96 2joe n ASP 28 Ca 0.00 -1.83 -0.37 0.00 0.71 0.00 0.00 54.79 53.30 2joe n ASP 28 Cb 0.00 -0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 40.99 2joe n ASP 28 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2joe s LYS 29 N -0.86 3.48 -0.24 -1.24 2.20 -1.21 -0.17 119.74 121.70 2joe s LYS 29 Ca 0.05 -0.15 -0.12 0.00 -0.36 0.00 0.00 55.97 55.39 2joe s LYS 29 Cb 0.03 -3.19 -0.05 0.00 -1.51 0.00 0.00 37.83 33.11 2joe s LYS 29 CO 0.04 0.74 0.24 0.08 -0.36 0.00 0.00 175.35 176.09 2joe s VAL 30 N -0.91 5.29 -0.04 4.02 1.01 -1.26 -0.53 120.40 127.98 2joe s VAL 30 Ca 0.14 0.34 0.11 0.00 0.00 0.00 0.00 61.98 62.57 2joe s VAL 30 Cb -0.12 -3.58 -0.17 0.00 0.00 0.00 0.00 36.38 32.51 2joe s VAL 30 CO 0.03 0.29 0.26 0.18 0.00 0.00 0.00 175.10 175.86 2joe n LEU 31 N 4.59 0.03 -3.68 3.92 4.32 0.26 -4.73 117.00 121.71 2joe n LEU 31 Ca -0.13 -0.03 -0.22 0.00 -0.02 0.00 0.00 56.01 55.62 2joe n LEU 31 Cb 0.52 0.00 -0.18 0.00 -1.62 0.00 0.00 43.42 42.14 2joe n LEU 31 CO 0.36 0.01 -0.35 -0.54 -1.22 0.00 0.00 177.39 175.65 2joe s LYS 32 N -2.74 0.07 -0.66 3.23 1.02 -0.75 -0.56 119.74 119.35 2joe s LYS 32 Ca -0.04 0.24 -0.08 0.00 0.02 0.00 0.00 55.97 56.12 2joe s LYS 32 Cb 0.07 -0.84 0.17 0.00 -0.52 0.00 0.00 37.83 36.71 2joe s LYS 32 CO 0.47 -0.39 0.53 -1.14 -0.92 0.00 0.00 175.35 173.89 2joe s GLN 33 N 2.13 2.88 -0.68 1.68 0.74 0.69 0.23 119.66 127.32 2joe s GLN 33 Ca 0.04 -2.34 -0.23 0.00 0.05 0.00 0.00 55.36 52.88 2joe s GLN 33 Cb -0.13 -4.00 0.06 0.00 1.10 0.00 0.00 33.01 30.05 2joe s GLN 33 CO -0.04 -1.22 1.03 -1.12 -0.55 0.00 0.00 175.29 173.38 2joe s SER 34 N 1.60 6.18 -0.66 6.67 0.01 -0.85 -0.73 113.70 125.92 2joe s SER 34 Ca 0.15 -0.92 -0.17 0.00 1.31 0.00 0.00 55.95 56.33 2joe s SER 34 Cb -0.18 -2.44 0.14 0.00 0.21 0.00 0.00 66.02 63.75 2joe s SER 34 CO -0.05 -1.51 0.69 -0.94 0.41 0.00 0.00 173.24 171.84 2joe s SER 35 N 3.70 6.36 -0.41 2.44 1.04 0.15 0.22 113.70 127.20 2joe s SER 35 Ca 0.25 -1.90 -0.08 0.00 0.48 0.00 0.00 55.95 54.69 2joe s SER 35 Cb -0.15 -2.26 0.08 0.00 0.10 0.00 0.00 66.02 63.79 2joe s SER 35 CO 0.11 -0.90 0.24 -0.70 0.98 0.00 0.00 173.24 172.97 2joe s GLU 36 N 1.73 2.54 -0.38 4.02 2.12 -0.93 -1.10 118.70 126.70 2joe s GLU 36 Ca 0.12 -1.48 -0.16 0.00 0.36 0.00 0.00 54.97 53.80 2joe s GLU 36 Cb -0.21 -3.73 0.00 0.00 0.26 0.00 0.00 34.13 30.45 2joe s GLU 36 CO 0.00 -0.95 0.41 0.95 -0.54 0.00 0.00 175.26 175.14 2joe s THR 37 N 1.39 5.11 -1.05 -1.70 -4.23 0.59 -1.16 115.64 114.60 2joe s THR 37 Ca 0.03 -0.11 -0.18 0.00 -1.18 0.00 0.00 61.69 60.26 2joe s THR 37 Cb -0.23 -3.94 0.13 0.00 1.34 0.00 0.00 72.50 69.80 2joe s THR 37 CO 0.01 -0.26 1.30 -0.75 -0.54 0.00 0.00 174.62 174.38 2joe s LYS 38 N 2.12 3.76 -0.37 3.99 2.20 0.10 -0.55 119.74 130.99 2joe s LYS 38 Ca 0.13 -1.92 -0.24 0.00 -0.36 0.00 0.00 55.97 53.58 2joe s LYS 38 Cb -0.17 -5.06 0.01 0.00 -1.51 0.00 0.00 37.83 31.10 2joe s LYS 38 CO 0.13 -1.87 0.81 0.42 -0.36 0.00 0.00 175.35 174.48 2joe s ILE 39 N 2.80 4.69 0.39 5.43 1.01 0.17 -1.43 121.20 134.27 2joe s ILE 39 Ca 0.39 0.90 -0.25 0.00 0.00 0.00 0.00 60.65 61.69 2joe s ILE 39 Cb -0.03 -4.25 -0.09 0.00 0.01 0.00 0.00 42.46 38.11 2joe s ILE 39 CO -0.06 -0.48 1.11 -1.10 0.00 0.00 0.00 174.94 174.41 2joe s GLN 40 N 3.20 4.13 0.63 2.79 -1.52 -1.05 -0.64 119.66 127.20 2joe s GLN 40 Ca 0.32 1.69 0.39 0.00 -1.95 0.00 0.00 55.36 55.82 2joe s GLN 40 Cb -0.13 -2.65 2.11 0.00 -0.22 0.00 0.00 33.01 32.12 2joe s GLN 40 CO 0.18 -0.21 2.28 0.74 -0.25 0.00 0.00 175.29 178.03 2joe h PHE 41 N 2.64 0.00 -0.03 0.91 -1.00 -1.26 -0.72 116.94 117.48 2joe h PHE 41 Ca -0.48 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.24 2joe h PHE 41 Cb 1.23 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.78 2joe h PHE 41 CO 0.56 0.01 -0.23 0.00 -1.61 0.00 0.00 178.31 177.04 2joe h ALA 42 N 1.99 1.57 -0.01 2.45 0.00 -1.79 0.17 119.26 123.63 2joe h ALA 42 Ca -0.00 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.52 2joe h ALA 42 Cb 0.10 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.85 2joe h ALA 42 CO 0.00 0.32 -0.64 0.77 0.00 0.00 0.00 179.25 179.70 2joe h SER 43 N 0.04 0.58 0.76 0.00 0.02 -1.35 -3.25 113.55 110.34 2joe h SER 43 Ca 0.01 -0.75 -0.16 0.00 -0.84 0.00 0.00 61.79 60.04 2joe h SER 43 Cb 0.44 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 2joe h SER 43 CO 0.03 1.25 -0.77 -0.29 -1.14 0.00 0.00 176.83 175.92 2joe h ILE 44 N -0.04 1.55 -0.20 3.27 2.10 -1.55 -3.48 117.51 119.17 2joe h ILE 44 Ca -0.08 -2.63 0.00 0.00 1.08 0.00 0.00 64.86 63.23 2joe h ILE 44 Cb 1.35 2.42 0.00 0.00 -1.09 0.00 0.00 36.82 39.49 2joe h ILE 44 CO 0.13 0.75 0.00 0.61 -1.08 0.00 0.00 178.15 178.56 2joe n GLY 45 N 0.68 1.15 3.45 8.18 0.00 0.46 -5.10 105.19 114.01 2joe n GLY 45 Ca -0.01 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.20 2.55 0.00 4.61 0.00 -0.46 -5.03 121.76 121.23 2joe s ALA 46 Ca 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 51.96 50.07 2joe s ALA 46 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.04 2joe s ALA 46 CO 0.00 0.12 0.00 2.41 0.00 0.00 0.00 175.76 178.29 2joe n THR 47 N -0.60 0.00 -3.54 0.00 -1.04 -1.26 -4.39 114.28 103.45 2joe n THR 47 Ca -0.06 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.62 2joe n THR 47 Cb 0.62 -0.51 -0.05 0.00 -1.82 0.00 0.00 70.33 68.56 2joe n THR 47 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2joe s THR 48 N -1.59 5.05 0.19 12.58 -4.23 -1.26 -4.93 115.64 121.46 2joe s THR 48 Ca 0.00 0.37 -0.11 0.00 -1.18 0.00 0.00 61.69 60.76 2joe s THR 48 Cb 0.00 -3.64 0.11 0.00 1.34 0.00 0.00 72.50 70.31 2joe s THR 48 CO 0.00 0.11 1.79 0.50 -0.54 0.00 0.00 174.62 176.48 2joe h LYS 49 N 3.12 0.92 0.00 3.99 3.11 -1.98 -2.62 116.57 123.11 2joe h LYS 49 Ca -0.47 -0.12 0.00 0.00 -2.81 0.00 0.00 60.65 57.25 2joe h LYS 49 Cb 1.18 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 32.23 2joe h LYS 49 CO 0.69 0.71 0.00 1.05 -2.81 0.00 0.00 179.45 179.09 2joe h GLU 50 N 0.90 0.00 0.00 1.90 9.09 -1.99 -2.08 114.58 122.40 2joe h GLU 50 Ca 0.23 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.59 2joe h GLU 50 Cb 0.06 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.16 2joe h GLU 50 CO -0.03 0.00 -0.22 -0.44 0.05 0.00 0.00 179.01 178.37 2joe h ASP 51 N 0.00 0.00 0.37 3.06 5.19 -1.89 -2.27 116.42 120.88 2joe h ASP 51 Ca 0.00 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.09 2joe h ASP 51 Cb 0.98 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.51 2joe h ASP 51 CO 0.00 0.22 -1.47 0.00 -3.12 0.00 0.00 179.24 174.87 2joe h ALA 52 N 1.78 0.01 -0.92 3.45 0.00 -1.26 -3.33 119.26 118.99 2joe h ALA 52 Ca -0.00 -0.94 0.04 0.00 0.00 0.00 0.00 54.91 54.00 2joe h ALA 52 Cb 1.07 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 2joe h ALA 52 CO 0.03 0.88 0.60 0.00 0.00 0.00 0.00 179.25 180.76 2joe h ALA 53 N 0.30 1.42 -0.92 0.00 0.00 -1.25 -0.76 119.26 118.04 2joe h ALA 53 Ca -0.24 -0.04 0.22 0.00 0.00 0.00 0.00 54.91 54.84 2joe h ALA 53 Cb 2.09 -0.33 -0.07 0.00 0.00 0.00 0.00 17.79 19.49 2joe h ALA 53 CO 0.23 0.49 0.61 0.87 0.00 0.00 0.00 179.25 181.46 2joe h LYS 54 N 1.15 0.37 0.01 0.00 1.57 -1.52 0.40 116.57 118.56 2joe h LYS 54 Ca 0.36 -0.02 -0.36 0.00 -1.87 0.00 0.00 60.65 58.77 2joe h LYS 54 Cb 0.02 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.18 2joe h LYS 54 CO -0.11 0.24 -2.22 2.41 -0.57 0.00 0.00 179.45 179.20 2joe n THR 55 N -4.51 1.51 0.03 -0.16 -1.04 -0.66 -4.53 114.28 104.92 2joe n THR 55 Ca 0.20 -0.75 -0.01 0.00 -2.04 0.00 0.00 64.05 61.45 2joe n THR 55 Cb 0.74 -0.96 -0.08 0.00 -1.82 0.00 0.00 70.33 68.21 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 0.01 0.00 0.09 -4.42 3.38 -0.75 -3.28 115.31 110.34 2joe h LEU 56 Ca -0.49 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 2joe h LEU 56 Cb 2.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.84 2joe h LEU 56 CO 0.02 0.63 -0.04 -0.33 0.09 0.00 0.00 178.44 178.80 2joe h GLU 57 N 0.00 -0.12 0.00 1.13 5.08 -1.16 -0.98 114.58 118.53 2joe h GLU 57 Ca -0.16 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2joe h GLU 57 Cb 1.62 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.90 2joe h GLU 57 CO 0.05 -0.07 0.00 -0.35 -1.00 0.00 0.00 179.01 177.64 2joe n PRO 58 N -5.14 0.01 -0.01 2.33 -0.04 -1.26 -2.40 135.00 128.49 2joe n PRO 58 Ca -0.08 0.28 -0.11 0.00 -0.04 0.00 0.00 63.50 63.55 2joe n PRO 58 Cb 0.08 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.95 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 -0.07 -1.13 1.53 5.85 -1.27 -3.34 115.31 116.89 2joe h LEU 59 Ca 0.00 -0.57 -0.08 0.00 0.84 0.00 0.00 57.88 58.08 2joe h LEU 59 Cb 0.21 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2joe h LEU 59 CO 0.00 0.64 -0.22 0.28 -0.34 0.00 0.00 178.44 178.79 2joe h SER 60 N -0.88 0.33 0.06 1.25 0.02 -1.19 -2.86 113.55 110.29 2joe h SER 60 Ca -0.01 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2joe h SER 60 Cb 0.63 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.08 2joe h SER 60 CO 0.01 0.56 0.00 0.00 -1.14 0.00 0.00 176.83 176.27 2joe n ALA 61 N -2.48 1.67 0.55 3.77 0.00 -1.01 -1.92 120.51 121.09 2joe n ALA 61 Ca -0.01 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.52 2joe n ALA 61 Cb 0.36 -1.12 0.34 0.00 0.00 0.00 0.00 19.45 19.03 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 -1.65 -3.28 116.57 113.21 2joe h LYS 62 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2joe h LYS 62 Cb 0.03 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 2joe h LYS 62 CO 0.00 0.00 -0.39 1.88 -0.57 0.00 0.00 179.45 180.37 2joe h TYR 63 N 0.00 0.00 -6.03 -1.35 -1.99 -1.63 -3.49 116.97 102.49 2joe h TYR 63 Ca 0.00 0.00 -0.41 0.00 2.00 0.00 0.00 58.73 60.32 2joe h TYR 63 Cb 0.78 0.00 0.07 0.00 2.00 0.00 0.00 36.73 39.58 2joe h TYR 63 CO 0.00 0.29 -0.81 1.17 -0.00 0.00 0.00 178.16 178.81 2joe n LYS 64 N -4.65 -5.32 -3.65 4.88 4.81 -1.24 -3.05 118.16 109.94 2joe n LYS 64 Ca -0.08 0.66 -0.30 0.00 -0.87 0.00 0.00 58.31 57.72 2joe n LYS 64 Cb 0.25 -5.33 0.05 0.00 0.02 0.00 0.00 35.03 30.01 2joe n LYS 64 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2joe n ASN 65 N -3.05 -5.31 -0.33 3.14 2.85 -1.25 -4.89 115.26 106.42 2joe n ASN 65 Ca -0.26 -0.99 -0.01 0.00 -0.11 0.00 0.00 54.58 53.21 2joe n ASN 65 Cb 0.66 -3.54 0.12 0.00 1.24 0.00 0.00 39.78 38.26 2joe n ASN 65 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 2joe h ILE 66 N -1.83 1.14 0.00 -1.44 2.04 -1.79 -3.46 117.51 112.18 2joe h ILE 66 Ca -0.66 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 64.81 2joe h ILE 66 Cb 1.36 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 2joe h ILE 66 CO 0.48 0.21 0.00 0.00 0.00 0.00 0.00 178.15 178.84 2joe n ALA 67 N -2.35 0.50 -1.46 1.87 0.00 -1.26 -4.78 120.51 113.03 2joe n ALA 67 Ca 0.12 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.59 2joe n ALA 67 Cb 0.10 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.75 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 4.99 3.55 0.00 0.00 -1.26 -4.99 105.19 107.48 2joe n GLY 68 Ca 0.00 -1.25 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 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 -3.18 4.58 -0.33 1.61 -7.23 -1.23 -3.26 120.40 111.35 2joe s VAL 69 Ca 0.40 0.60 -0.08 0.00 -1.81 0.00 0.00 61.98 61.08 2joe s VAL 69 Cb 0.37 -4.36 0.02 0.00 0.56 0.00 0.00 36.38 32.96 2joe s VAL 69 CO -0.03 -0.75 0.13 -1.61 -0.31 0.00 0.00 175.10 172.53 2joe s GLU 70 N 3.48 2.94 -0.15 4.82 0.41 -0.59 -3.84 118.70 125.77 2joe s GLU 70 Ca 0.33 -0.98 -0.16 0.00 -0.41 0.00 0.00 54.97 53.75 2joe s GLU 70 Cb -0.11 -3.53 -0.04 0.00 -1.78 0.00 0.00 34.13 28.66 2joe s GLU 70 CO 0.24 -0.57 0.40 -1.83 -0.49 0.00 0.00 175.26 173.01 2joe s GLU 71 N 1.51 4.28 -0.26 1.61 1.03 -1.26 -0.99 118.70 124.62 2joe s GLU 71 Ca 0.02 0.28 -0.03 0.00 0.03 0.00 0.00 54.97 55.26 2joe s GLU 71 Cb -0.18 -3.45 0.09 0.00 -0.80 0.00 0.00 34.13 29.78 2joe s GLU 71 CO 0.04 0.14 0.09 0.15 -1.33 0.00 0.00 175.26 174.36 2joe s LYS 72 N 0.72 0.42 -0.55 -4.83 1.02 -0.40 -4.97 119.74 111.15 2joe s LYS 72 Ca 0.21 -0.60 -0.28 0.00 0.02 0.00 0.00 55.97 55.33 2joe s LYS 72 Cb -0.14 -1.70 0.03 0.00 -0.52 0.00 0.00 37.83 35.50 2joe s LYS 72 CO 0.07 -0.88 1.13 -0.51 -0.92 0.00 0.00 175.35 174.25 2joe s LEU 73 N 1.92 3.60 -0.38 3.17 1.43 -1.26 -0.51 118.68 126.65 2joe s LEU 73 Ca 0.06 0.12 -0.10 0.00 -1.03 0.00 0.00 54.13 53.18 2joe s LEU 73 Cb -0.17 -3.20 0.04 0.00 0.03 0.00 0.00 46.19 42.89 2joe s LEU 73 CO -0.23 -1.38 0.20 0.42 0.23 0.00 0.00 176.35 175.59 2joe s THR 74 N 4.66 4.41 -0.17 5.49 -4.23 0.53 -4.97 115.64 121.37 2joe s THR 74 Ca 0.42 -1.00 -0.18 0.00 -1.18 0.00 0.00 61.69 59.75 2joe s THR 74 Cb -0.08 -3.51 -0.04 0.00 1.34 0.00 0.00 72.50 70.21 2joe s THR 74 CO 0.26 -0.28 0.50 -0.31 -0.54 0.00 0.00 174.62 174.25 2joe s TYR 75 N 1.51 3.43 -0.16 3.99 1.51 -1.26 -0.17 117.35 126.20 2joe s TYR 75 Ca 0.01 0.83 -0.15 0.00 -1.01 0.00 0.00 57.07 56.75 2joe s TYR 75 Cb -0.20 -2.62 -0.05 0.00 -0.11 0.00 0.00 41.96 38.98 2joe s TYR 75 CO 0.05 0.01 -0.28 2.41 -1.11 0.00 0.00 175.55 176.63 2joe n THR 76 N 4.19 1.40 0.00 -0.71 -1.04 -0.78 -5.00 114.28 112.34 2joe n THR 76 Ca -0.06 0.18 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 2joe n THR 76 Cb 0.51 -2.32 0.00 0.00 -1.82 0.00 0.00 70.33 66.70 2joe n THR 76 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2joe n ASP 77 N -4.40 -0.01 -0.61 8.00 -0.08 -1.26 -4.94 116.55 113.25 2joe n ASP 77 Ca -0.11 0.02 0.13 0.00 -1.51 0.00 0.00 54.79 53.32 2joe n ASP 77 Cb 0.42 0.04 0.38 0.00 2.34 0.00 0.00 41.12 44.31 2joe n ASP 77 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2joe n THR 78 N -1.60 0.00 -3.50 5.18 -1.04 -1.26 -4.76 114.28 107.30 2joe n THR 78 Ca 0.00 -0.32 -0.11 0.00 -2.04 0.00 0.00 64.05 61.58 2joe n THR 78 Cb 0.00 0.80 -0.02 0.00 -1.82 0.00 0.00 70.33 69.29 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 -2.04 -0.46 -0.05 -1.42 1.13 -1.26 -0.83 117.35 112.41 2joe s TYR 79 Ca 0.34 0.21 0.03 0.00 -1.41 0.00 0.00 57.07 56.24 2joe s TYR 79 Cb 0.21 0.57 0.01 0.00 -1.10 0.00 0.00 41.96 41.64 2joe s TYR 79 CO 0.34 -0.90 -0.12 0.00 -2.51 0.00 0.00 175.55 172.35 2joe s ALA 80 N -3.78 1.23 -0.32 9.51 0.00 0.19 -1.86 121.76 126.72 2joe s ALA 80 Ca 0.03 -0.45 -0.11 0.00 0.00 0.00 0.00 51.96 51.43 2joe s ALA 80 Cb -0.02 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 2joe s ALA 80 CO -0.10 0.15 0.18 -0.65 0.00 0.00 0.00 175.76 175.34 2joe s GLN 81 N 0.44 3.36 -0.47 0.00 -0.21 0.76 -0.66 119.66 122.89 2joe s GLN 81 Ca -0.10 -0.71 -0.21 0.00 0.02 0.00 0.00 55.36 54.36 2joe s GLN 81 Cb -0.13 -3.64 0.03 0.00 1.00 0.00 0.00 33.01 30.27 2joe s GLN 81 CO 0.03 -0.43 0.66 -2.00 -2.12 0.00 0.00 175.29 171.42 2joe s GLU 82 N 1.64 3.24 -0.55 2.91 2.56 0.29 -0.34 118.70 128.44 2joe s GLU 82 Ca 0.05 -0.51 -0.17 0.00 0.00 0.00 0.00 54.97 54.34 2joe s GLU 82 Cb -0.17 -4.00 0.12 0.00 2.00 0.00 0.00 34.13 32.07 2joe s GLU 82 CO 0.07 -1.11 0.55 1.21 -0.56 0.00 0.00 175.26 175.43 2joe s ASN 83 N 2.26 6.19 -0.34 -1.70 3.84 0.34 -0.30 114.94 125.23 2joe s ASN 83 Ca 0.21 -1.63 -0.10 0.00 0.21 0.00 0.00 52.86 51.55 2joe s ASN 83 Cb -0.15 -2.24 0.01 0.00 -0.55 0.00 0.00 41.25 38.32 2joe s ASN 83 CO 0.17 -0.92 0.17 -0.69 -2.79 0.00 0.00 177.10 173.04 2joe s VAL 84 N 1.93 4.50 -0.50 -5.21 1.01 -0.26 -1.28 120.40 120.60 2joe s VAL 84 Ca 0.06 -0.66 -0.17 0.00 0.00 0.00 0.00 61.98 61.21 2joe s VAL 84 Cb -0.28 -3.40 0.07 0.00 0.00 0.00 0.00 36.38 32.78 2joe s VAL 84 CO 0.04 -0.07 0.51 -0.89 0.00 0.00 0.00 175.10 174.69 2joe s THR 85 N 1.57 5.08 -0.45 3.92 2.01 -0.16 0.30 115.64 127.91 2joe s THR 85 Ca 0.03 -0.90 -0.19 0.00 0.31 0.00 0.00 61.69 60.94 2joe s THR 85 Cb -0.18 -4.23 0.03 0.00 0.01 0.00 0.00 72.50 68.13 2joe s THR 85 CO 0.06 -0.72 0.56 -0.63 -0.69 0.00 0.00 174.62 173.20 2joe s ILE 86 N 2.06 4.94 -0.31 1.82 1.01 0.09 -1.54 121.20 129.28 2joe s ILE 86 Ca 0.08 -0.22 -0.29 0.00 0.00 0.00 0.00 60.65 60.22 2joe s ILE 86 Cb -0.23 -4.16 -0.01 0.00 0.01 0.00 0.00 42.46 38.07 2joe s ILE 86 CO 0.08 -0.58 1.50 -0.62 0.00 0.00 0.00 174.94 175.32 2joe s ASP 87 N 2.09 6.38 -0.26 3.58 -1.08 -1.20 -0.22 116.67 125.95 2joe s ASP 87 Ca 0.17 1.25 0.07 0.00 -0.52 0.00 0.00 52.55 53.52 2joe s ASP 87 Cb -0.17 -2.54 0.57 0.00 -1.46 0.00 0.00 42.92 39.33 2joe s ASP 87 CO 0.15 -1.32 1.58 0.23 0.52 0.00 0.00 175.17 176.33 2joe n MET 88 N 7.79 2.97 -0.04 4.34 2.81 0.27 -3.12 117.12 132.14 2joe n MET 88 Ca 0.18 -2.36 -0.05 0.00 -1.81 0.00 0.00 57.70 53.66 2joe n MET 88 Cb 0.47 -1.99 -0.05 0.00 -0.71 0.00 0.00 33.22 30.93 2joe n MET 88 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2joe n GLU 89 N -0.15 1.23 -0.23 0.03 -0.58 -1.26 -4.61 120.64 115.07 2joe n GLU 89 Ca 0.34 0.03 0.08 0.00 -0.42 0.00 0.00 57.16 57.19 2joe n GLU 89 Cb 1.19 -1.18 0.21 0.00 -0.57 0.00 0.00 31.44 31.09 2joe n GLU 89 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2joe n LYS 90 N -2.57 2.70 -1.68 3.49 0.00 -1.25 -5.03 118.16 113.83 2joe n LYS 90 Ca -0.14 -2.22 -0.43 0.00 0.00 0.00 0.00 58.31 55.52 2joe n LYS 90 Cb 0.69 -1.38 -0.01 0.00 0.00 0.00 0.00 35.03 34.34 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 0.93 2.05 -3.39 3.15 0.24 -1.18 -4.72 118.33 115.41 2joe n VAL 91 Ca 0.16 -0.50 -0.44 0.00 -2.04 0.00 0.00 64.34 61.52 2joe n VAL 91 Cb 0.49 -1.48 -0.07 0.00 -1.47 0.00 0.00 33.84 31.31 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 -0.37 6.08 0.42 -1.34 2.15 -1.26 -4.93 116.67 117.42 2joe s ASP 92 Ca 0.56 -1.56 0.29 0.00 0.43 0.00 0.00 52.55 52.28 2joe s ASP 92 Cb -0.58 -2.16 1.13 0.00 -0.30 0.00 0.00 42.92 41.01 2joe s ASP 92 CO 0.62 -0.72 1.85 -0.26 -0.17 0.00 0.00 175.17 176.49 2joe h PHE 93 N 8.75 0.00 0.33 -5.34 -1.00 -1.96 -0.23 116.94 117.49 2joe h PHE 93 Ca -0.28 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.50 2joe h PHE 93 Cb 1.10 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.65 2joe h PHE 93 CO 0.67 0.00 -0.27 -0.22 -1.61 0.00 0.00 178.31 176.88 2joe h LYS 94 N 0.00 -0.58 0.00 1.51 3.64 -2.00 0.19 116.57 119.32 2joe h LYS 94 Ca 0.00 0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.27 2joe h LYS 94 Cb 0.51 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 2joe h LYS 94 CO 0.00 -0.39 -0.69 0.00 -2.27 0.00 0.00 179.45 176.10 2joe h ALA 95 N -0.02 0.81 -0.57 5.00 0.00 -1.94 -3.15 119.26 119.40 2joe h ALA 95 Ca -0.02 -0.63 0.05 0.00 0.00 0.00 0.00 54.91 54.30 2joe h ALA 95 Cb 0.53 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2joe h ALA 95 CO -0.01 0.87 0.38 1.25 0.00 0.00 0.00 179.25 181.73 2joe h LEU 96 N 0.00 0.53 -2.23 0.00 5.85 -0.74 -0.42 115.31 118.30 2joe h LEU 96 Ca -0.01 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.72 2joe h LEU 96 Cb 1.26 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 2joe h LEU 96 CO 0.09 0.36 0.02 -0.61 -0.34 0.00 0.00 178.44 177.96 2joe h GLN 97 N 0.61 0.00 0.02 1.25 4.15 -0.91 0.57 115.11 120.79 2joe h GLN 97 Ca 0.24 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.66 2joe h GLN 97 Cb 0.18 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.87 2joe h GLN 97 CO -0.07 0.00 -0.01 0.78 -1.93 0.00 0.00 178.83 177.61 2joe h GLY 98 N 0.00 -0.02 0.71 2.39 0.00 -1.23 -3.39 103.07 101.53 2joe h GLY 98 Ca 0.01 0.01 -0.31 0.00 0.00 0.00 0.00 47.33 47.04 2joe h GLY 98 CO -0.00 -0.01 -1.57 0.16 0.00 0.00 0.00 176.54 175.12 2joe h ILE 99 N -0.97 0.98 0.00 2.60 3.07 -1.45 -3.47 117.51 118.27 2joe h ILE 99 Ca -0.00 -2.44 0.00 0.00 1.55 0.00 0.00 64.86 63.96 2joe h ILE 99 Cb 0.70 2.73 0.00 0.00 -0.27 0.00 0.00 36.82 39.98 2joe h ILE 99 CO 0.00 0.78 0.00 -1.20 -1.05 0.00 0.00 178.15 176.68 2joe n SER 100 N -3.77 0.00 0.00 2.16 7.64 0.20 -4.59 113.62 115.26 2joe n SER 100 Ca -0.25 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.63 2joe n SER 100 Cb 0.98 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.18 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 0.52 2.96 0.23 0.00 -1.26 -5.01 105.19 102.63 2joe n GLY 101 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.10 0.75 -1.16 -0.61 1.01 -1.26 -5.07 121.20 112.76 2joe s ILE 102 Ca 0.00 -0.28 -0.21 0.00 0.00 0.00 0.00 60.65 60.17 2joe s ILE 102 Cb 0.00 -0.71 0.05 0.00 0.01 0.00 0.00 42.46 41.81 2joe s ILE 102 CO 0.00 0.26 1.64 0.20 0.00 0.00 0.00 174.94 177.04 2joe s ASN 103 N 0.63 6.53 0.09 3.58 -0.87 -1.26 -4.84 114.94 118.80 2joe s ASN 103 Ca -0.10 -1.92 -0.27 0.00 -1.57 0.00 0.00 52.86 49.01 2joe s ASN 103 Cb -0.13 -2.58 0.09 0.00 -0.02 0.00 0.00 41.25 38.61 2joe s ASN 103 CO 0.01 -1.48 1.09 0.54 -2.57 0.00 0.00 177.10 174.69 2joe s VAL 104 N 5.16 0.00 0.33 1.60 0.11 -1.26 -4.65 120.40 121.69 2joe s VAL 104 Ca 0.52 -0.49 -0.27 0.00 -2.93 0.00 0.00 61.98 58.81 2joe s VAL 104 Cb 0.02 -2.12 -0.09 0.00 -1.53 0.00 0.00 36.38 32.65 2joe s VAL 104 CO 0.00 0.00 1.12 -0.44 -3.33 0.00 0.00 175.10 172.45 2joe s SER 105 N -3.03 6.97 0.60 3.54 0.01 -1.26 -4.92 113.70 115.60 2joe s SER 105 Ca 0.14 2.27 0.36 0.00 1.31 0.00 0.00 55.95 60.04 2joe s SER 105 Cb 0.01 -2.62 1.88 0.00 0.21 0.00 0.00 66.02 65.50 2joe s SER 105 CO 0.00 -0.36 2.20 0.00 0.41 0.00 0.00 173.24 175.50 2joe h ALA 106 N 3.26 1.13 -1.00 1.44 0.00 -1.95 -2.58 119.26 119.56 2joe h ALA 106 Ca -0.48 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.51 2joe h ALA 106 Cb 1.22 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 2joe h ALA 106 CO 0.65 0.04 0.64 0.93 0.00 0.00 0.00 179.25 181.50 2joe h GLU 107 N 0.00 1.00 -0.13 0.00 3.07 -2.00 0.74 114.58 117.26 2joe h GLU 107 Ca -0.00 -0.06 -0.13 0.00 -0.50 0.00 0.00 59.36 58.67 2joe h GLU 107 Cb 0.20 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 2joe h GLU 107 CO 0.00 0.66 -0.50 0.22 -1.40 0.00 0.00 179.01 178.00 2joe h ASP 108 N 1.03 0.38 0.34 1.42 3.58 -1.86 -3.02 116.42 118.29 2joe h ASP 108 Ca 0.48 -0.19 -0.20 0.00 0.42 0.00 0.00 57.03 57.55 2joe h ASP 108 Cb 0.42 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.36 2joe h ASP 108 CO -0.24 0.82 -0.81 0.00 -2.88 0.00 0.00 179.24 176.12 2joe h ALA 109 N 1.20 0.52 -0.40 -0.78 0.00 -1.35 -3.11 119.26 115.34 2joe h ALA 109 Ca 0.01 -0.66 -0.00 0.00 0.00 0.00 0.00 54.91 54.26 2joe h ALA 109 Cb 0.98 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2joe h ALA 109 CO 0.08 0.80 0.23 0.87 0.00 0.00 0.00 179.25 181.24 2joe h LYS 110 N 0.23 0.53 -0.40 0.00 1.57 -0.78 -1.95 116.57 115.77 2joe h LYS 110 Ca -0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2joe h LYS 110 Cb 1.41 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.61 2joe h LYS 110 CO 0.14 0.38 0.00 1.17 -0.57 0.00 0.00 179.45 180.57 2joe n LYS 111 N -4.45 2.12 0.00 3.15 4.81 -1.18 -5.00 118.16 117.62 2joe n LYS 111 Ca 0.03 -1.72 0.00 0.00 -0.87 0.00 0.00 58.31 55.74 2joe n LYS 111 Cb 0.08 -1.42 0.00 0.00 0.02 0.00 0.00 35.03 33.72 2joe n LYS 111 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2joe n GLY 112 N 1.30 1.49 3.59 3.14 0.00 -0.73 -5.03 105.19 108.94 2joe n GLY 112 Ca 0.17 -1.43 -0.35 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.49 4.73 0.10 -0.61 -1.09 -1.26 -4.74 121.20 117.85 2joe s ILE 113 Ca 0.00 -0.05 0.00 0.00 -2.23 0.00 0.00 60.65 58.38 2joe s ILE 113 Cb 0.00 -3.16 -0.00 0.00 -1.58 0.00 0.00 42.46 37.72 2joe s ILE 113 CO 0.00 0.41 0.00 0.35 -1.23 0.00 0.00 174.94 174.48 2joe n THR 114 N 4.00 0.00 -0.04 2.92 -2.24 -1.26 -4.59 114.28 113.07 2joe n THR 114 Ca -0.16 -0.50 -0.03 0.00 -2.27 0.00 0.00 64.05 61.09 2joe n THR 114 Cb 0.52 0.11 0.20 0.00 -2.10 0.00 0.00 70.33 69.06 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 0.63 -0.91 -0.78 4.05 -0.87 -2.62 114.93 114.43 2joe h MET 115 Ca -0.08 -0.19 0.00 0.00 -0.28 0.00 0.00 59.70 59.15 2joe h MET 115 Cb 0.26 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 30.96 2joe h MET 115 CO 0.14 0.72 0.58 0.00 0.23 0.00 0.00 176.91 178.58 2joe h ALA 116 N 1.31 1.30 -1.14 0.39 0.00 -1.96 -1.95 119.26 117.21 2joe h ALA 116 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2joe h ALA 116 Cb 0.52 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2joe h ALA 116 CO 0.03 0.62 0.00 1.04 0.00 0.00 0.00 179.25 180.94 2joe n GLN 117 N -4.38 0.00 -0.33 0.00 3.00 -1.01 -2.49 117.38 112.17 2joe n GLN 117 Ca 0.10 0.41 0.08 0.00 -0.01 0.00 0.00 57.00 57.58 2joe n GLN 117 Cb 0.04 -1.31 0.17 0.00 0.00 0.00 0.00 30.24 29.14 2joe n GLN 117 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 2joe n MET 118 N -1.59 -0.08 0.15 -1.09 2.81 -1.09 0.36 117.12 116.59 2joe n MET 118 Ca 0.00 1.45 -0.14 0.00 -1.81 0.00 0.00 57.70 57.20 2joe n MET 118 Cb 0.00 -2.19 -0.06 0.00 -0.71 0.00 0.00 33.22 30.25 2joe n MET 118 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2joe h GLU 119 N 0.00 -0.46 -0.01 0.03 4.39 -1.40 0.28 114.58 117.41 2joe h GLU 119 Ca 0.48 0.03 -0.15 0.00 0.34 0.00 0.00 59.36 60.06 2joe h GLU 119 Cb 0.81 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.55 2joe h GLU 119 CO -0.94 -0.31 -0.70 -0.07 -1.16 0.00 0.00 179.01 175.83 2joe h LEU 120 N -0.48 0.04 0.22 1.33 3.38 -0.66 -2.62 115.31 116.51 2joe h LEU 120 Ca 0.00 -0.03 -0.33 0.00 0.09 0.00 0.00 57.88 57.61 2joe h LEU 120 Cb 0.45 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 41.22 2joe h LEU 120 CO -0.06 0.73 -1.55 0.58 0.09 0.00 0.00 178.44 178.23 2joe h VAL 121 N 0.02 1.19 -0.07 1.22 2.07 0.08 -0.82 116.25 119.94 2joe h VAL 121 Ca -0.01 -2.69 -0.17 0.00 0.82 0.00 0.00 66.70 64.65 2joe h VAL 121 Cb 1.24 2.93 -0.01 0.00 -1.52 0.00 0.00 31.29 33.93 2joe h VAL 121 CO 0.09 0.83 -0.69 0.24 0.02 0.00 0.00 177.57 178.07 2joe h MET 122 N 0.12 0.31 -0.32 1.57 2.86 -0.52 0.22 114.93 119.17 2joe h MET 122 Ca -0.27 -0.24 -0.09 0.00 -2.06 0.00 0.00 59.70 57.03 2joe h MET 122 Cb 2.12 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 33.82 2joe h MET 122 CO 0.23 0.88 -0.19 -0.22 1.06 0.00 0.00 176.91 178.67 2joe h LYS 123 N 0.22 0.60 -0.44 1.72 3.64 -1.51 0.47 116.57 121.27 2joe h LYS 123 Ca -0.02 -0.21 -0.04 0.00 -1.27 0.00 0.00 60.65 59.11 2joe h LYS 123 Cb 1.24 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 2joe h LYS 123 CO 0.11 0.76 0.12 0.00 -2.27 0.00 0.00 179.45 178.17 2joe h ALA 124 N 1.26 0.58 0.00 5.00 0.00 -0.70 -2.82 119.26 122.57 2joe h ALA 124 Ca 0.08 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 2joe h ALA 124 Cb 0.63 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2joe h ALA 124 CO 0.04 0.25 -0.51 0.00 0.00 0.00 0.00 179.25 179.04 2joe h ALA 125 N 0.97 0.89 -0.16 0.00 0.00 -0.83 -3.48 119.26 116.66 2joe h ALA 125 Ca 0.14 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2joe h ALA 125 Cb 0.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2joe h ALA 125 CO -0.00 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.29 2joe n GLY 126 N 0.48 0.84 3.77 0.00 0.00 0.18 -5.08 105.19 105.37 2joe n GLY 126 Ca -0.00 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.85 3.37 -0.02 1.61 0.08 0.14 -5.01 117.98 116.30 2joe s PHE 127 Ca 0.00 0.35 -0.02 0.00 0.12 0.00 0.00 56.93 57.38 2joe s PHE 127 Cb 0.00 -1.86 -0.04 0.00 -0.57 0.00 0.00 43.02 40.55 2joe s PHE 127 CO 0.00 0.59 0.11 -1.59 -0.10 0.00 0.00 175.22 174.23 2joe s LYS 128 N -0.94 3.18 0.24 0.44 -2.85 -1.26 -4.46 119.74 114.09 2joe s LYS 128 Ca 0.14 -0.41 -0.26 0.00 -1.00 0.00 0.00 55.97 54.44 2joe s LYS 128 Cb -0.12 -2.94 -0.09 0.00 -2.06 0.00 0.00 37.83 32.62 2joe s LYS 128 CO 0.03 0.67 0.86 -1.21 0.10 0.00 0.00 175.35 175.80 2joe s GLU 129 N -1.67 4.59 -0.69 1.78 8.01 -1.26 -1.87 118.70 127.60 2joe s GLU 129 Ca 0.23 1.24 -0.03 0.00 0.01 0.00 0.00 54.97 56.41 2joe s GLU 129 Cb -0.12 -3.07 0.18 0.00 -4.31 0.00 0.00 34.13 26.81 2joe s GLU 129 CO 0.13 0.45 0.52 0.08 0.01 0.00 0.00 175.26 176.45 2joe s VAL 130 N -1.36 3.92 -0.88 2.63 1.01 0.31 -4.82 120.40 121.22 2joe s VAL 130 Ca 0.42 -3.12 -0.25 0.00 0.00 0.00 0.00 61.98 59.03 2joe s VAL 130 Cb -0.21 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.67 2joe s VAL 130 CO 0.26 -0.93 1.46 -0.75 0.00 0.00 0.00 175.10 175.15 2joe s LYS 131 N -0.31 3.28 0.01 2.72 2.20 -1.26 -3.63 119.74 122.76 2joe s LYS 131 Ca 0.19 -0.61 -0.32 0.00 -0.36 0.00 0.00 55.97 54.87 2joe s LYS 131 Cb -0.17 -4.85 -0.11 0.00 -1.51 0.00 0.00 37.83 31.20 2joe s LYS 131 CO -0.05 -2.33 1.90 1.47 -0.36 0.00 0.00 175.35 175.97 2joe n LEU 132 N 9.80 3.82 -2.29 5.43 -0.00 -1.26 -3.89 117.00 128.62 2joe n LEU 132 Ca 0.22 0.95 -0.00 0.00 -0.00 0.00 0.00 56.01 57.18 2joe n LEU 132 Cb 0.50 -1.47 -0.00 0.00 -0.00 0.00 0.00 43.42 42.45 2joe n LEU 132 CO 0.68 0.08 -0.33 -0.62 -0.00 0.00 0.00 177.39 177.19 2joe n GLU 133 N 6.65 -2.32 -2.41 1.47 1.02 -1.26 -4.90 120.64 118.91 2joe n GLU 133 Ca 0.20 2.02 -0.38 0.00 -0.02 0.00 0.00 57.16 58.98 2joe n GLU 133 Cb 0.35 -3.86 -0.03 0.00 -0.02 0.00 0.00 31.44 27.88 2joe n GLU 133 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2joe s HIS 134 N -1.04 2.23 -0.00 -0.32 3.76 -1.25 -4.98 115.29 113.69 2joe s HIS 134 Ca -0.01 -0.18 -0.24 0.00 -0.15 0.00 0.00 55.06 54.48 2joe s HIS 134 Cb 0.00 -4.49 -0.05 0.00 1.11 0.00 0.00 32.58 29.15 2joe s HIS 134 CO 0.51 -1.98 0.75 -1.58 -0.85 0.00 0.00 174.74 171.59 2joe s HIS 135 N 6.58 3.67 -0.04 1.40 2.46 -1.26 -5.06 115.29 123.04 2joe s HIS 135 Ca 0.50 1.39 0.03 0.00 0.47 0.00 0.00 55.06 57.45 2joe s HIS 135 Cb -0.05 -2.82 0.00 0.00 -0.13 0.00 0.00 32.58 29.58 2joe s HIS 135 CO 0.02 0.18 -0.13 -3.38 -2.47 0.00 0.00 174.74 168.96 2joe s HIS 136 N 0.35 1.35 -0.20 3.88 -3.43 -1.26 -5.04 115.29 110.94 2joe s HIS 136 Ca 0.39 -0.38 -0.15 0.00 -0.80 0.00 0.00 55.06 54.11 2joe s HIS 136 Cb -0.19 -0.93 -0.08 0.00 -1.43 0.00 0.00 32.58 29.94 2joe s HIS 136 CO 0.21 -0.15 -0.23 1.58 -2.00 0.00 0.00 174.74 174.16 2joe n HIS 137 N 3.28 0.39 0.00 0.38 -0.00 -1.26 -5.05 115.22 112.96 2joe n HIS 137 Ca -0.19 0.17 0.00 0.00 0.46 0.00 0.00 57.72 58.16 2joe n HIS 137 Cb 0.53 -0.77 0.00 0.00 -0.12 0.00 0.00 29.99 29.64 2joe n HIS 137 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2joe n HIS 138 N -4.45 -1.73 -1.32 1.57 8.25 -1.26 -5.38 115.22 110.90 2joe n HIS 138 Ca -0.24 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.22 2joe n HIS 138 Cb 0.56 0.35 0.00 0.00 1.12 0.00 0.00 29.99 32.02 2joe n HIS 138 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59