#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 0.79 0.04 3.17 0.00 -1.26 -4.88 105.19 103.05 2joe n GLY 2 Ca 0.00 -0.68 -0.04 0.00 0.00 0.00 0.00 46.02 45.29 2joe n GLY 2 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2joe n ASP 3 N 0.74 3.34 -0.04 1.61 5.75 -1.26 -4.73 116.55 121.96 2joe n ASP 3 Ca -0.08 -0.02 -0.08 0.00 -0.01 0.00 0.00 54.79 54.60 2joe n ASP 3 Cb 0.31 0.31 -0.07 0.00 -1.03 0.00 0.00 41.12 40.64 2joe n ASP 3 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 2joe h LYS 4 N 0.00 -0.03 -4.32 0.11 1.57 -1.98 -3.46 116.57 108.46 2joe h LYS 4 Ca -0.19 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.37 2joe h LYS 4 Cb 1.36 0.01 -0.21 0.00 0.08 0.00 0.00 32.23 33.47 2joe h LYS 4 CO -0.01 0.51 -0.72 -2.00 -0.57 0.00 0.00 179.45 176.66 2joe s GLU 5 N -2.14 0.44 -0.07 3.15 2.12 -1.26 -4.42 118.70 116.52 2joe s GLU 5 Ca -0.11 -0.71 -0.08 0.00 0.36 0.00 0.00 54.97 54.43 2joe s GLU 5 Cb -0.01 -0.12 0.02 0.00 0.26 0.00 0.00 34.13 34.28 2joe s GLU 5 CO 0.40 0.01 0.21 -2.00 -0.54 0.00 0.00 175.26 173.33 2joe s GLU 6 N -1.60 0.29 -0.12 4.30 2.56 -0.99 -4.34 118.70 118.80 2joe s GLU 6 Ca -0.12 0.22 0.01 0.00 0.00 0.00 0.00 54.97 55.08 2joe s GLU 6 Cb -0.10 0.14 -0.01 0.00 2.00 0.00 0.00 34.13 36.16 2joe s GLU 6 CO -0.00 -0.04 -0.17 -1.12 -0.56 0.00 0.00 175.26 173.36 2joe s SER 7 N -0.08 3.65 -0.51 -1.70 0.01 -1.25 -1.31 113.70 112.50 2joe s SER 7 Ca -0.02 -0.42 -0.02 0.00 1.31 0.00 0.00 55.95 56.80 2joe s SER 7 Cb -0.02 -1.53 0.13 0.00 0.21 0.00 0.00 66.02 64.81 2joe s SER 7 CO 0.01 0.16 0.32 -0.54 0.41 0.00 0.00 173.24 173.59 2joe s LYS 8 N 0.36 2.26 -0.19 12.44 -0.14 0.91 -4.86 119.74 130.52 2joe s LYS 8 Ca -0.14 -2.19 -0.20 0.00 -1.36 0.00 0.00 55.97 52.09 2joe s LYS 8 Cb -0.17 -3.64 -0.03 0.00 -1.68 0.00 0.00 37.83 32.32 2joe s LYS 8 CO 0.07 -1.12 0.57 0.21 -0.76 0.00 0.00 175.35 174.32 2joe s LYS 9 N 0.51 4.21 0.22 1.68 2.20 -1.25 -0.28 119.74 127.04 2joe s LYS 9 Ca 0.13 0.52 0.11 0.00 -0.36 0.00 0.00 55.97 56.36 2joe s LYS 9 Cb -0.22 -3.56 -0.05 0.00 -1.51 0.00 0.00 37.83 32.49 2joe s LYS 9 CO -0.04 -0.18 -0.20 -0.59 -0.36 0.00 0.00 175.35 173.98 2joe s PHE 10 N 1.71 2.14 -0.18 4.03 -0.12 -0.21 0.86 117.98 126.22 2joe s PHE 10 Ca 0.27 -0.39 -0.04 0.00 -0.05 0.00 0.00 56.93 56.71 2joe s PHE 10 Cb -0.16 -1.00 0.09 0.00 -0.63 0.00 0.00 43.02 41.33 2joe s PHE 10 CO 0.10 0.54 0.29 -1.12 -0.05 0.00 0.00 175.22 174.98 2joe s SER 11 N -3.08 0.58 -0.09 1.98 0.01 -1.09 -0.92 113.70 111.09 2joe s SER 11 Ca 0.24 0.31 0.01 0.00 1.31 0.00 0.00 55.95 57.82 2joe s SER 11 Cb -0.05 0.74 0.02 0.00 0.21 0.00 0.00 66.02 66.94 2joe s SER 11 CO 0.11 -0.28 -0.10 0.00 0.41 0.00 0.00 173.24 173.38 2joe s ALA 12 N 2.43 1.31 -0.46 1.44 0.00 0.03 -4.69 121.76 121.81 2joe s ALA 12 Ca 0.05 -0.50 -0.20 0.00 0.00 0.00 0.00 51.96 51.31 2joe s ALA 12 Cb -0.14 -0.75 0.03 0.00 0.00 0.00 0.00 23.12 22.27 2joe s ALA 12 CO -0.11 -0.16 0.64 1.21 0.00 0.00 0.00 175.76 177.33 2joe s ASN 13 N 1.20 6.28 -0.68 0.00 3.84 -1.26 -0.77 114.94 123.55 2joe s ASN 13 Ca -0.04 -0.55 -0.01 0.00 0.21 0.00 0.00 52.86 52.47 2joe s ASN 13 Cb -0.14 -2.31 0.42 0.00 -0.55 0.00 0.00 41.25 38.67 2joe s ASN 13 CO -0.03 -0.82 1.94 0.00 -2.79 0.00 0.00 177.10 175.40 2joe n LEU 14 N 6.25 7.37 0.00 3.21 -0.00 0.13 -4.93 117.00 129.03 2joe n LEU 14 Ca -0.03 -4.51 0.00 0.00 -0.00 0.00 0.00 56.01 51.47 2joe n LEU 14 Cb 0.47 -0.94 0.00 0.00 -0.00 0.00 0.00 43.42 42.95 2joe n LEU 14 CO 0.54 1.62 0.00 -3.20 -0.00 0.00 0.00 177.39 176.35 2joe n ASN 15 N -0.78 0.00 0.05 1.45 5.15 -1.26 -4.05 115.26 115.82 2joe n ASN 15 Ca 0.58 0.00 -0.19 0.00 -0.60 0.00 0.00 54.58 54.37 2joe n ASN 15 Cb 0.56 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.67 2joe n ASN 15 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 2joe h GLY 16 N 0.00 0.33 -5.43 8.20 0.00 -1.97 -3.47 103.07 100.72 2joe h GLY 16 Ca 0.00 -0.83 -0.31 0.00 0.00 0.00 0.00 47.33 46.18 2joe h GLY 16 CO 0.00 0.73 -0.75 -0.51 0.00 0.00 0.00 176.54 176.01 2joe s THR 17 N -2.60 0.35 -0.59 4.70 -4.23 -1.26 -4.21 115.64 107.81 2joe s THR 17 Ca -0.13 -0.18 -0.13 0.00 -1.18 0.00 0.00 61.69 60.07 2joe s THR 17 Cb 0.06 -0.30 0.15 0.00 1.34 0.00 0.00 72.50 73.75 2joe s THR 17 CO 0.84 0.10 0.51 -1.61 -0.54 0.00 0.00 174.62 173.93 2joe s GLU 18 N -0.06 2.96 -0.34 3.99 2.02 -0.31 -0.69 118.70 126.27 2joe s GLU 18 Ca 0.01 -1.93 -0.16 0.00 0.02 0.00 0.00 54.97 52.91 2joe s GLU 18 Cb -0.02 -4.20 -0.01 0.00 0.10 0.00 0.00 34.13 30.00 2joe s GLU 18 CO -0.00 -1.28 0.43 0.42 0.02 0.00 0.00 175.26 174.85 2joe s ILE 19 N 1.14 5.10 -0.25 -1.63 1.01 0.05 -0.18 121.20 126.45 2joe s ILE 19 Ca 0.08 0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.94 2joe s ILE 19 Cb -0.24 -3.88 0.05 0.00 0.01 0.00 0.00 42.46 38.40 2joe s ILE 19 CO -0.01 -0.14 -0.12 0.00 0.00 0.00 0.00 174.94 174.67 2joe s ALA 20 N 2.18 2.52 -0.14 9.38 0.00 -0.53 -0.79 121.76 134.37 2joe s ALA 20 Ca 0.15 -1.68 -0.01 0.00 0.00 0.00 0.00 51.96 50.42 2joe s ALA 20 Cb -0.16 -1.52 -0.01 0.00 0.00 0.00 0.00 23.12 21.42 2joe s ALA 20 CO 0.12 -1.07 -0.11 0.42 0.00 0.00 0.00 175.76 175.12 2joe s ILE 21 N 1.14 3.17 -0.50 0.00 1.01 -0.10 -1.47 121.20 124.44 2joe s ILE 21 Ca -0.07 -0.61 -0.16 0.00 0.00 0.00 0.00 60.65 59.81 2joe s ILE 21 Cb -0.19 -2.35 0.09 0.00 0.01 0.00 0.00 42.46 40.02 2joe s ILE 21 CO -0.06 0.51 0.44 -0.89 0.00 0.00 0.00 174.94 174.94 2joe s THR 22 N 0.48 5.21 -0.66 2.92 2.01 0.91 -1.04 115.64 125.46 2joe s THR 22 Ca -0.08 -1.18 -0.26 0.00 0.31 0.00 0.00 61.69 60.48 2joe s THR 22 Cb -0.15 -4.21 0.04 0.00 0.01 0.00 0.00 72.50 68.19 2joe s THR 22 CO 0.04 -0.69 1.14 -0.31 -0.69 0.00 0.00 174.62 174.11 2joe s TYR 23 N 1.69 2.52 -0.68 4.92 2.02 0.62 -1.13 117.35 127.31 2joe s TYR 23 Ca 0.04 -0.05 -0.21 0.00 -0.37 0.00 0.00 57.07 56.49 2joe s TYR 23 Cb -0.26 -4.44 0.09 0.00 -0.40 0.00 0.00 41.96 36.95 2joe s TYR 23 CO 0.06 -1.76 0.91 0.08 -1.57 0.00 0.00 175.55 173.27 2joe s VAL 24 N 4.90 4.54 -0.00 0.71 1.01 -0.31 -0.06 120.40 131.18 2joe s VAL 24 Ca 0.33 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.60 2joe s VAL 24 Cb -0.11 -4.64 -0.03 0.00 0.00 0.00 0.00 36.38 31.60 2joe s VAL 24 CO 0.17 -1.36 -0.04 -0.72 0.00 0.00 0.00 175.10 173.15 2joe s TYR 25 N 3.43 2.97 -0.12 5.22 1.13 -0.43 -1.64 117.35 127.91 2joe s TYR 25 Ca 0.20 0.02 -0.04 0.00 -1.41 0.00 0.00 57.07 55.84 2joe s TYR 25 Cb -0.17 -1.64 0.06 0.00 -1.10 0.00 0.00 41.96 39.10 2joe s TYR 25 CO 0.06 0.41 0.17 0.21 -2.51 0.00 0.00 175.55 173.89 2joe s LYS 26 N -1.44 0.07 5.86 -3.49 2.20 -0.51 -2.34 119.74 120.09 2joe s LYS 26 Ca 0.18 0.40 0.00 0.00 -0.36 0.00 0.00 55.97 56.19 2joe s LYS 26 Cb -0.11 -0.69 0.00 0.00 -1.51 0.00 0.00 37.83 35.52 2joe s LYS 26 CO 0.08 -0.43 0.00 0.41 -0.36 0.00 0.00 175.35 175.05 2joe n GLY 27 N 5.32 1.81 0.06 5.54 0.00 -1.26 -3.82 105.19 112.84 2joe n GLY 27 Ca -0.05 -0.53 -0.06 0.00 0.00 0.00 0.00 46.02 45.38 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 7.58 2.20 -4.85 1.61 -0.08 -1.26 -5.03 116.55 116.72 2joe n ASP 28 Ca 0.00 -0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 52.93 2joe n ASP 28 Cb 0.00 0.72 -0.06 0.00 2.34 0.00 0.00 41.12 44.13 2joe n ASP 28 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2joe s LYS 29 N -2.28 3.96 -0.90 -0.67 2.20 -1.25 -2.82 119.74 117.98 2joe s LYS 29 Ca -0.07 0.47 -0.25 0.00 -0.36 0.00 0.00 55.97 55.77 2joe s LYS 29 Cb 0.04 -2.86 0.04 0.00 -1.51 0.00 0.00 37.83 33.53 2joe s LYS 29 CO 0.46 0.44 1.37 0.08 -0.36 0.00 0.00 175.35 177.34 2joe s VAL 30 N -1.54 3.84 0.21 4.02 1.01 -1.26 -1.43 120.40 125.25 2joe s VAL 30 Ca 0.40 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 62.09 2joe s VAL 30 Cb -0.14 -5.00 -0.03 0.00 0.00 0.00 0.00 36.38 31.22 2joe s VAL 30 CO 0.19 -1.90 1.55 -0.07 0.00 0.00 0.00 175.10 174.88 2joe h LEU 31 N 12.87 0.59 -7.42 3.92 3.38 -1.63 -3.40 115.31 123.62 2joe h LEU 31 Ca -0.01 -0.29 -0.44 0.00 0.09 0.00 0.00 57.88 57.23 2joe h LEU 31 Cb 1.03 -0.17 -0.39 0.00 0.09 0.00 0.00 40.66 41.22 2joe h LEU 31 CO 1.36 0.97 -0.76 -0.54 0.09 0.00 0.00 178.44 179.56 2joe s LYS 32 N -4.12 0.54 -0.42 1.13 1.02 -0.90 -0.18 119.74 116.80 2joe s LYS 32 Ca -0.07 0.05 -0.08 0.00 0.02 0.00 0.00 55.97 55.89 2joe s LYS 32 Cb 0.12 -1.12 0.09 0.00 -0.52 0.00 0.00 37.83 36.40 2joe s LYS 32 CO 0.83 -0.36 0.26 -1.14 -0.92 0.00 0.00 175.35 174.02 2joe s GLN 33 N 1.98 2.54 -0.93 1.68 0.74 0.38 -1.16 119.66 124.88 2joe s GLN 33 Ca 0.04 -1.53 -0.20 0.00 0.05 0.00 0.00 55.36 53.73 2joe s GLN 33 Cb -0.13 -3.77 0.11 0.00 1.10 0.00 0.00 33.01 30.32 2joe s GLN 33 CO -0.06 -0.99 1.18 -1.12 -0.55 0.00 0.00 175.29 173.75 2joe s SER 34 N 2.16 6.58 -0.64 6.67 0.01 -0.29 -0.86 113.70 127.34 2joe s SER 34 Ca 0.04 -1.87 -0.17 0.00 1.31 0.00 0.00 55.95 55.25 2joe s SER 34 Cb -0.23 -2.43 0.14 0.00 0.21 0.00 0.00 66.02 63.70 2joe s SER 34 CO 0.01 -1.17 0.66 -0.44 0.41 0.00 0.00 173.24 172.71 2joe s SER 35 N 3.88 6.32 -0.42 2.44 0.01 0.15 -0.07 113.70 126.01 2joe s SER 35 Ca 0.34 -1.86 -0.15 0.00 1.31 0.00 0.00 55.95 55.60 2joe s SER 35 Cb -0.05 -2.25 0.03 0.00 0.21 0.00 0.00 66.02 63.96 2joe s SER 35 CO -0.08 -0.90 0.31 -1.61 0.41 0.00 0.00 173.24 171.36 2joe s GLU 36 N 1.76 2.97 -0.42 12.44 2.02 -0.54 0.01 118.70 136.94 2joe s GLU 36 Ca 0.10 -1.07 -0.18 0.00 0.02 0.00 0.00 54.97 53.84 2joe s GLU 36 Cb -0.23 -4.00 0.02 0.00 0.10 0.00 0.00 34.13 30.02 2joe s GLU 36 CO 0.01 -0.79 0.48 0.99 0.02 0.00 0.00 175.26 175.97 2joe s THR 37 N 1.67 5.03 -0.62 3.63 2.01 0.17 -1.45 115.64 126.09 2joe s THR 37 Ca 0.05 -0.20 -0.26 0.00 0.31 0.00 0.00 61.69 61.58 2joe s THR 37 Cb -0.20 -4.07 0.04 0.00 0.01 0.00 0.00 72.50 68.28 2joe s THR 37 CO 0.09 -0.44 1.13 -0.75 -0.69 0.00 0.00 174.62 173.96 2joe s LYS 38 N 2.30 3.35 -0.22 4.92 2.20 0.75 -0.62 119.74 132.42 2joe s LYS 38 Ca 0.15 -0.10 -0.11 0.00 -0.36 0.00 0.00 55.97 55.55 2joe s LYS 38 Cb -0.16 -4.08 -0.05 0.00 -1.51 0.00 0.00 37.83 32.03 2joe s LYS 38 CO 0.15 -1.75 0.16 0.42 -0.36 0.00 0.00 175.35 173.97 2joe s ILE 39 N 4.79 5.37 0.32 5.43 1.01 0.42 -1.16 121.20 137.39 2joe s ILE 39 Ca 0.36 0.23 -0.15 0.00 0.00 0.00 0.00 60.65 61.08 2joe s ILE 39 Cb -0.10 -3.50 -0.09 0.00 0.01 0.00 0.00 42.46 38.78 2joe s ILE 39 CO 0.20 0.39 0.75 -1.10 0.00 0.00 0.00 174.94 175.17 2joe s GLN 40 N 0.72 4.03 0.31 2.79 -1.52 -1.26 -0.33 119.66 124.40 2joe s GLN 40 Ca 0.09 0.70 0.24 0.00 -1.95 0.00 0.00 55.36 54.44 2joe s GLN 40 Cb -0.12 -2.44 1.13 0.00 -0.22 0.00 0.00 33.01 31.36 2joe s GLN 40 CO 0.02 0.16 1.72 0.74 -0.25 0.00 0.00 175.29 177.67 2joe h PHE 41 N 2.29 0.00 0.00 0.91 -1.00 -1.74 -1.88 116.94 115.52 2joe h PHE 41 Ca -0.48 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.19 2joe h PHE 41 Cb 1.18 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.72 2joe h PHE 41 CO 0.62 0.00 -0.52 0.00 -1.61 0.00 0.00 178.31 176.79 2joe h ALA 42 N 2.12 0.88 0.01 2.45 0.00 -1.85 -0.87 119.26 121.99 2joe h ALA 42 Ca 0.00 -0.48 -0.33 0.00 0.00 0.00 0.00 54.91 54.11 2joe h ALA 42 Cb 0.19 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 2joe h ALA 42 CO 0.00 0.66 -1.99 -1.13 0.00 0.00 0.00 179.25 176.78 2joe n SER 43 N -3.55 0.65 0.06 0.00 3.41 -0.73 -4.16 113.62 109.31 2joe n SER 43 Ca -0.00 0.24 -0.08 0.00 -0.26 0.00 0.00 58.87 58.77 2joe n SER 43 Cb 0.61 0.27 -0.12 0.00 -0.26 0.00 0.00 64.21 64.72 2joe n SER 43 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 2joe h ILE 44 N 0.00 1.70 -0.55 -1.33 2.10 -1.57 -3.48 117.51 114.37 2joe h ILE 44 Ca -0.40 -3.38 0.00 0.00 1.08 0.00 0.00 64.86 62.16 2joe h ILE 44 Cb 2.10 2.85 0.00 0.00 -1.09 0.00 0.00 36.82 40.68 2joe h ILE 44 CO 0.06 0.97 0.00 0.61 -1.08 0.00 0.00 178.15 178.70 2joe n GLY 45 N 1.36 0.86 3.66 8.18 0.00 -0.36 -5.07 105.19 113.82 2joe n GLY 45 Ca -0.01 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.55 3.22 -0.21 4.61 0.00 -1.04 -5.04 121.76 120.75 2joe s ALA 46 Ca 0.00 -1.04 -0.11 0.00 0.00 0.00 0.00 51.96 50.82 2joe s ALA 46 Cb 0.00 -1.23 -0.19 0.00 0.00 0.00 0.00 23.12 21.70 2joe s ALA 46 CO 0.00 0.66 0.03 0.25 0.00 0.00 0.00 175.76 176.70 2joe n THR 47 N 1.09 1.60 -4.52 0.00 -2.24 -1.26 -4.75 114.28 104.20 2joe n THR 47 Ca -0.13 -0.41 -0.25 0.00 -2.27 0.00 0.00 64.05 60.99 2joe n THR 47 Cb 0.52 -1.78 -0.09 0.00 -2.10 0.00 0.00 70.33 66.88 2joe n THR 47 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2joe s THR 48 N -2.49 0.84 0.20 4.28 -4.23 -1.26 -5.03 115.64 107.95 2joe s THR 48 Ca -0.31 -2.00 0.34 0.00 -1.18 0.00 0.00 61.69 58.54 2joe s THR 48 Cb 0.09 -2.47 0.38 0.00 1.34 0.00 0.00 72.50 71.84 2joe s THR 48 CO 0.62 0.00 2.03 0.07 -0.54 0.00 0.00 174.62 176.80 2joe h LYS 49 N 1.84 0.00 -0.10 3.99 2.10 -1.92 -2.31 116.57 120.17 2joe h LYS 49 Ca -0.38 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.26 2joe h LYS 49 Cb 1.27 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.59 2joe h LYS 49 CO 0.62 0.03 0.02 1.49 -2.00 0.00 0.00 179.45 179.61 2joe h GLU 50 N 0.00 0.17 -0.79 0.07 4.22 -1.99 -0.16 114.58 116.10 2joe h GLU 50 Ca -0.00 -0.04 0.04 0.00 0.08 0.00 0.00 59.36 59.43 2joe h GLU 50 Cb 0.46 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 2joe h GLU 50 CO 0.00 0.37 0.50 -0.44 -2.18 0.00 0.00 179.01 177.26 2joe h ASP 51 N -0.06 0.82 0.14 1.04 3.32 -1.84 0.47 116.42 120.31 2joe h ASP 51 Ca 0.03 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 2joe h ASP 51 Cb 0.28 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2joe h ASP 51 CO 0.00 0.56 -0.07 0.00 -1.72 0.00 0.00 179.24 178.02 2joe h ALA 52 N 1.34 -0.18 -0.57 3.45 0.00 -1.26 -1.91 119.26 120.12 2joe h ALA 52 Ca 0.32 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2joe h ALA 52 Cb 0.03 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2joe h ALA 52 CO -0.12 -0.55 0.27 0.00 0.00 0.00 0.00 179.25 178.85 2joe h ALA 53 N 0.55 0.73 0.00 0.00 0.00 -0.76 0.24 119.26 120.02 2joe h ALA 53 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2joe h ALA 53 Cb 0.24 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2joe h ALA 53 CO 0.03 0.30 0.00 1.17 0.00 0.00 0.00 179.25 180.76 2joe n LYS 54 N -4.54 0.11 -0.13 0.00 4.81 0.13 -1.59 118.16 116.95 2joe n LYS 54 Ca 0.03 0.44 -0.27 0.00 -0.87 0.00 0.00 58.31 57.64 2joe n LYS 54 Cb 0.13 -1.76 -0.10 0.00 0.02 0.00 0.00 35.03 33.31 2joe n LYS 54 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2joe n THR 55 N -1.98 1.53 -0.04 3.15 -1.04 -0.57 -4.82 114.28 110.51 2joe n THR 55 Ca 0.01 -0.41 -0.16 0.00 -2.04 0.00 0.00 64.05 61.45 2joe n THR 55 Cb 0.14 -1.80 -0.14 0.00 -1.82 0.00 0.00 70.33 66.71 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 -4.07 1.95 -0.21 -4.42 4.77 0.73 -4.53 117.00 111.22 2joe n LEU 56 Ca -0.52 0.17 -0.01 0.00 -0.03 0.00 0.00 56.01 55.62 2joe n LEU 56 Cb 0.90 -0.56 0.06 0.00 -2.33 0.00 0.00 43.42 41.49 2joe n LEU 56 CO 0.08 0.71 0.73 -0.33 -1.33 0.00 0.00 177.39 177.26 2joe h GLU 57 N 0.03 -0.01 0.00 3.23 5.08 -1.48 0.23 114.58 121.66 2joe h GLU 57 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2joe h GLU 57 Cb 2.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.28 2joe h GLU 57 CO 0.04 -0.00 0.00 -0.35 -1.00 0.00 0.00 179.01 177.70 2joe n PRO 58 N -5.43 0.08 0.08 2.33 -0.04 -1.26 -1.99 135.00 128.77 2joe n PRO 58 Ca 0.07 0.57 -0.22 0.00 -0.04 0.00 0.00 63.50 63.88 2joe n PRO 58 Cb 0.33 -1.76 -0.15 0.00 -0.04 0.00 0.00 33.50 31.87 2joe n PRO 58 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2joe h LEU 59 N 0.00 0.62 -2.60 1.53 4.07 -1.22 -3.32 115.31 114.38 2joe h LEU 59 Ca 0.00 -0.93 -0.00 0.00 0.08 0.00 0.00 57.88 57.03 2joe h LEU 59 Cb 0.02 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.56 2joe h LEU 59 CO 0.00 1.57 -0.01 0.28 -1.08 0.00 0.00 178.44 179.20 2joe h SER 60 N -0.13 0.00 0.62 -0.43 0.02 -1.45 -1.59 113.55 110.59 2joe h SER 60 Ca -0.22 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.69 2joe h SER 60 Cb 1.89 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.43 2joe h SER 60 CO 0.19 0.01 -0.19 0.00 -1.14 0.00 0.00 176.83 175.70 2joe h ALA 61 N 1.99 1.16 0.00 3.77 0.00 -1.66 -2.66 119.26 121.85 2joe h ALA 61 Ca -0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2joe h ALA 61 Cb 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2joe h ALA 61 CO 0.00 0.24 -0.18 0.87 0.00 0.00 0.00 179.25 180.18 2joe h LYS 62 N 0.00 0.00 -0.15 0.00 1.57 -1.49 -2.92 116.57 113.58 2joe h LYS 62 Ca -0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 2joe h LYS 62 Cb 0.55 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 2joe h LYS 62 CO 0.02 0.18 -0.45 1.88 -0.57 0.00 0.00 179.45 180.51 2joe h TYR 63 N 0.00 0.45 0.00 -1.35 -1.99 -1.64 -2.91 116.97 109.53 2joe h TYR 63 Ca -0.00 -0.14 0.00 0.00 2.00 0.00 0.00 58.73 60.59 2joe h TYR 63 Cb 0.39 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 39.03 2joe h TYR 63 CO 0.00 0.76 0.00 1.63 -0.00 0.00 0.00 178.16 180.55 2joe n LYS 64 N -3.99 0.88 0.00 4.88 4.76 -1.10 -1.38 118.16 122.20 2joe n LYS 64 Ca -0.02 0.00 0.06 0.00 -2.87 0.00 0.00 58.31 55.48 2joe n LYS 64 Cb 0.53 -1.12 -0.06 0.00 -1.84 0.00 0.00 35.03 32.54 2joe n LYS 64 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2joe n ASN 65 N -0.35 0.80 0.00 4.39 2.85 -1.10 -4.81 115.26 117.04 2joe n ASN 65 Ca 0.00 -0.90 0.00 0.00 -0.11 0.00 0.00 54.58 53.57 2joe n ASN 65 Cb 0.06 0.87 0.00 0.00 1.24 0.00 0.00 39.78 41.95 2joe n ASN 65 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 2joe n ILE 66 N -1.04 0.00 -0.89 -1.44 5.41 -0.48 -5.11 119.36 115.81 2joe n ILE 66 Ca 0.03 0.42 0.00 0.00 1.00 0.00 0.00 62.75 64.21 2joe n ILE 66 Cb 0.22 -1.41 0.00 0.00 -0.71 0.00 0.00 39.64 37.74 2joe n ILE 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2joe n ALA 67 N -2.30 0.00 1.09 -1.39 0.00 -1.23 -4.77 120.51 111.90 2joe n ALA 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2joe n ALA 67 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.08 3.56 0.00 0.00 -1.26 -4.63 105.19 102.77 2joe n GLY 68 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2joe n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2joe s VAL 69 N -1.65 4.09 0.12 1.61 1.01 -1.26 -3.64 120.40 120.69 2joe s VAL 69 Ca 0.00 0.62 0.04 0.00 0.00 0.00 0.00 61.98 62.64 2joe s VAL 69 Cb 0.00 -4.70 -0.04 0.00 0.00 0.00 0.00 36.38 31.64 2joe s VAL 69 CO 0.00 -1.36 -0.10 -1.83 0.00 0.00 0.00 175.10 171.81 2joe s GLU 70 N 4.76 0.97 -0.07 2.72 -1.05 0.58 -4.23 118.70 122.37 2joe s GLU 70 Ca 0.38 -1.34 0.03 0.00 -0.15 0.00 0.00 54.97 53.89 2joe s GLU 70 Cb -0.09 -0.57 0.01 0.00 -0.44 0.00 0.00 34.13 33.03 2joe s GLU 70 CO 0.22 0.07 -0.17 -2.00 0.95 0.00 0.00 175.26 174.34 2joe s GLU 71 N -3.39 2.11 -0.24 -4.83 2.12 -1.26 -0.23 118.70 112.98 2joe s GLU 71 Ca 0.12 -0.58 0.02 0.00 0.36 0.00 0.00 54.97 54.89 2joe s GLU 71 Cb 0.01 -1.69 0.05 0.00 0.26 0.00 0.00 34.13 32.75 2joe s GLU 71 CO -0.00 0.11 -0.13 0.21 -0.54 0.00 0.00 175.26 174.91 2joe s LYS 72 N 0.46 2.37 -0.56 4.30 2.47 0.78 -4.92 119.74 124.63 2joe s LYS 72 Ca -0.14 -1.18 -0.19 0.00 -1.56 0.00 0.00 55.97 52.90 2joe s LYS 72 Cb -0.16 -2.77 0.08 0.00 -1.46 0.00 0.00 37.83 33.53 2joe s LYS 72 CO 0.05 -0.48 0.71 -0.51 0.16 0.00 0.00 175.35 175.28 2joe s LEU 73 N 1.18 5.10 -0.26 5.43 1.43 -1.26 -1.13 118.68 129.16 2joe s LEU 73 Ca -0.05 -1.16 -0.10 0.00 -1.03 0.00 0.00 54.13 51.79 2joe s LEU 73 Cb -0.18 -2.38 -0.04 0.00 0.03 0.00 0.00 46.19 43.61 2joe s LEU 73 CO -0.07 -1.07 0.15 0.42 0.23 0.00 0.00 176.35 176.01 2joe s THR 74 N 2.83 5.04 -0.11 5.49 -4.23 -0.64 -4.98 115.64 119.05 2joe s THR 74 Ca 0.14 0.08 -0.03 0.00 -1.18 0.00 0.00 61.69 60.70 2joe s THR 74 Cb -0.21 -3.38 -0.03 0.00 1.34 0.00 0.00 72.50 70.22 2joe s THR 74 CO 0.09 0.30 0.01 -0.31 -0.54 0.00 0.00 174.62 174.16 2joe s TYR 75 N 1.56 3.16 0.00 3.99 2.02 -1.26 -0.18 117.35 126.65 2joe s TYR 75 Ca 0.07 0.12 0.00 0.00 -0.37 0.00 0.00 57.07 56.89 2joe s TYR 75 Cb -0.15 -1.85 0.00 0.00 -0.40 0.00 0.00 41.96 39.56 2joe s TYR 75 CO 0.08 0.37 0.00 2.41 -1.57 0.00 0.00 175.55 176.84 2joe n THR 76 N 2.48 0.00 0.24 -0.71 -1.04 -0.87 -5.01 114.28 109.37 2joe n THR 76 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 2joe n THR 76 Cb 0.53 -0.70 0.00 0.00 -1.82 0.00 0.00 70.33 68.35 2joe n THR 76 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2joe n ASP 77 N -0.86 -4.39 0.06 8.00 8.00 -1.26 -4.93 116.55 121.17 2joe n ASP 77 Ca 0.00 0.94 0.11 0.00 0.71 0.00 0.00 54.79 56.55 2joe n ASP 77 Cb 0.00 4.06 0.02 0.00 -0.02 0.00 0.00 41.12 45.18 2joe n ASP 77 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2joe n THR 78 N -3.48 0.38 -3.99 -3.53 -1.04 -1.26 -4.76 114.28 96.60 2joe n THR 78 Ca 0.00 -0.41 -0.09 0.00 -2.04 0.00 0.00 64.05 61.51 2joe n THR 78 Cb 0.00 -0.11 -0.08 0.00 -1.82 0.00 0.00 70.33 68.32 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 -3.30 0.46 -0.02 -1.42 1.13 -1.26 -2.08 117.35 110.86 2joe s TYR 79 Ca 0.01 -0.84 0.03 0.00 -1.41 0.00 0.00 57.07 54.86 2joe s TYR 79 Cb 0.12 -0.16 -0.00 0.00 -1.10 0.00 0.00 41.96 40.82 2joe s TYR 79 CO 0.79 -0.63 -0.10 0.00 -2.51 0.00 0.00 175.55 173.10 2joe s ALA 80 N -3.96 0.88 -0.36 9.51 0.00 0.56 -2.06 121.76 126.32 2joe s ALA 80 Ca 0.16 -0.41 -0.14 0.00 0.00 0.00 0.00 51.96 51.57 2joe s ALA 80 Cb 0.05 -0.26 -0.00 0.00 0.00 0.00 0.00 23.12 22.90 2joe s ALA 80 CO -0.02 0.19 0.28 -0.65 0.00 0.00 0.00 175.76 175.55 2joe s GLN 81 N -0.07 3.34 -1.07 0.00 -0.21 0.75 -0.44 119.66 121.97 2joe s GLN 81 Ca 0.01 -0.73 -0.17 0.00 0.02 0.00 0.00 55.36 54.49 2joe s GLN 81 Cb -0.06 -3.86 0.14 0.00 1.00 0.00 0.00 33.01 30.23 2joe s GLN 81 CO -0.00 -0.56 1.30 -2.00 -2.12 0.00 0.00 175.29 171.92 2joe s GLU 82 N 1.76 3.81 -0.65 2.91 2.12 0.21 -1.62 118.70 127.24 2joe s GLU 82 Ca 0.07 -2.05 -0.28 0.00 0.36 0.00 0.00 54.97 53.07 2joe s GLU 82 Cb -0.18 -5.04 0.02 0.00 0.26 0.00 0.00 34.13 29.20 2joe s GLU 82 CO 0.11 -1.83 1.30 1.21 -0.54 0.00 0.00 175.26 175.51 2joe s ASN 83 N 3.44 6.21 -0.39 -1.70 3.84 -0.29 -0.66 114.94 125.40 2joe s ASN 83 Ca 0.39 -0.10 -0.09 0.00 0.21 0.00 0.00 52.86 53.27 2joe s ASN 83 Cb -0.03 -2.55 0.06 0.00 -0.55 0.00 0.00 41.25 38.18 2joe s ASN 83 CO -0.05 -1.72 0.22 -0.69 -2.79 0.00 0.00 177.10 172.07 2joe s VAL 84 N 5.68 4.18 -0.50 -5.21 1.01 0.10 -0.15 120.40 125.51 2joe s VAL 84 Ca 0.42 -1.26 -0.17 0.00 0.00 0.00 0.00 61.98 60.98 2joe s VAL 84 Cb -0.08 -3.48 0.07 0.00 0.00 0.00 0.00 36.38 32.89 2joe s VAL 84 CO 0.20 -0.39 0.50 -0.89 0.00 0.00 0.00 175.10 174.52 2joe s THR 85 N 1.44 5.09 -0.25 3.92 2.01 0.68 0.30 115.64 128.83 2joe s THR 85 Ca 0.02 -0.91 -0.13 0.00 0.31 0.00 0.00 61.69 60.98 2joe s THR 85 Cb -0.22 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.03 2joe s THR 85 CO 0.03 -0.71 0.27 -0.63 -0.69 0.00 0.00 174.62 172.89 2joe s ILE 86 N 2.02 5.27 -0.34 1.82 1.01 -0.04 -0.31 121.20 130.63 2joe s ILE 86 Ca 0.08 0.38 -0.14 0.00 0.00 0.00 0.00 60.65 60.97 2joe s ILE 86 Cb -0.23 -3.60 -0.01 0.00 0.01 0.00 0.00 42.46 38.62 2joe s ILE 86 CO 0.08 0.26 0.31 -0.62 0.00 0.00 0.00 174.94 174.97 2joe s ASP 87 N 1.34 6.13 -0.05 3.58 2.15 -1.24 -0.47 116.67 128.11 2joe s ASP 87 Ca 0.12 -0.30 0.14 0.00 0.43 0.00 0.00 52.55 52.93 2joe s ASP 87 Cb -0.15 -2.17 0.49 0.00 -0.30 0.00 0.00 42.92 40.79 2joe s ASP 87 CO 0.08 -0.29 1.38 0.23 -0.17 0.00 0.00 175.17 176.39 2joe n MET 88 N 5.27 2.68 0.00 4.34 2.81 0.74 -2.43 117.12 130.53 2joe n MET 88 Ca -0.11 -1.97 0.13 0.00 -1.81 0.00 0.00 57.70 53.95 2joe n MET 88 Cb 0.50 -1.60 0.43 0.00 -0.71 0.00 0.00 33.22 31.84 2joe n MET 88 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2joe n GLU 89 N 0.83 1.03 0.06 0.03 -0.58 -1.25 -4.65 120.64 116.11 2joe n GLU 89 Ca 0.18 -0.58 0.00 0.00 -0.42 0.00 0.00 57.16 56.34 2joe n GLU 89 Cb 0.59 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.97 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 -0.48 0.00 0.00 3.49 4.81 -1.24 -5.12 118.16 119.62 2joe n LYS 90 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 2joe n LYS 90 Cb 0.34 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.39 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 -2.88 0.00 -3.15 3.15 0.24 -1.02 -4.88 118.33 109.79 2joe n VAL 91 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.34 2joe n VAL 91 Cb 0.00 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.37 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 -3.88 -1.60 0.00 -1.34 2.15 -1.26 -4.78 116.67 105.97 2joe s ASP 92 Ca 0.00 0.27 0.18 0.00 0.43 0.00 0.00 52.55 53.43 2joe s ASP 92 Cb 0.00 2.05 0.99 0.00 -0.30 0.00 0.00 42.92 45.66 2joe s ASP 92 CO 0.00 -0.30 1.53 0.49 -0.17 0.00 0.00 175.17 176.73 2joe n PHE 93 N 5.42 0.00 -0.06 -5.34 3.72 -1.26 -0.43 117.46 119.51 2joe n PHE 93 Ca 0.04 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.40 2joe n PHE 93 Cb 0.54 -0.18 -0.02 0.00 -0.94 0.00 0.00 39.48 38.87 2joe n PHE 93 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2joe h LYS 94 N 0.00 0.00 0.00 -1.08 1.57 -1.95 -3.36 116.57 111.75 2joe h LYS 94 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2joe h LYS 94 Cb 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 2joe h LYS 94 CO 0.00 0.12 -0.03 0.00 -0.57 0.00 0.00 179.45 178.97 2joe h ALA 95 N -0.91 1.01 -0.61 3.86 0.00 -1.96 -2.79 119.26 117.85 2joe h ALA 95 Ca -0.02 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.97 2joe h ALA 95 Cb 0.40 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2joe h ALA 95 CO -0.02 0.04 0.41 1.25 0.00 0.00 0.00 179.25 180.94 2joe h LEU 96 N 0.00 0.32 -1.37 0.00 5.85 -0.90 -2.24 115.31 116.97 2joe h LEU 96 Ca -0.00 0.01 0.20 0.00 0.84 0.00 0.00 57.88 58.93 2joe h LEU 96 Cb 0.57 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.47 2joe h LEU 96 CO 0.00 0.18 0.61 -0.61 -0.34 0.00 0.00 178.44 178.29 2joe h GLN 97 N 0.35 0.49 -0.00 1.25 5.75 -1.64 0.35 115.11 121.66 2joe h GLN 97 Ca 0.29 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.76 2joe h GLN 97 Cb 0.66 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.09 2joe h GLN 97 CO -0.07 0.33 -0.13 0.41 -2.65 0.00 0.00 178.83 176.72 2joe n GLY 98 N -1.47 -1.29 0.67 2.39 0.00 -0.84 -3.86 105.19 100.80 2joe n GLY 98 Ca 0.20 -0.20 0.02 0.00 0.00 0.00 0.00 46.02 46.04 2joe n GLY 98 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2joe n ILE 99 N -1.34 0.16 -2.39 -0.61 -6.64 -0.08 -5.05 119.36 103.41 2joe n ILE 99 Ca 0.10 -0.39 -0.41 0.00 -1.77 0.00 0.00 62.75 60.27 2joe n ILE 99 Cb 0.31 0.54 -0.03 0.00 -1.44 0.00 0.00 39.64 39.02 2joe n ILE 99 CO 0.00 0.00 0.00 -0.44 -1.77 0.00 0.00 176.55 174.34 2joe s SER 100 N -1.35 6.04 0.10 7.28 0.01 -0.09 -4.80 113.70 120.89 2joe s SER 100 Ca 0.09 0.12 0.22 0.00 1.31 0.00 0.00 55.95 57.69 2joe s SER 100 Cb 0.10 -2.55 0.87 0.00 0.21 0.00 0.00 66.02 64.66 2joe s SER 100 CO -0.03 -1.82 1.67 0.61 0.41 0.00 0.00 173.24 174.09 2joe n GLY 101 N 5.34 -1.28 2.29 3.44 0.00 -1.26 -4.07 105.19 109.64 2joe n GLY 101 Ca 0.11 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.82 4.22 -2.03 -0.61 5.41 -1.26 -4.83 119.36 118.44 2joe n ILE 102 Ca 0.04 -2.63 -0.42 0.00 1.00 0.00 0.00 62.75 60.74 2joe n ILE 102 Cb 0.26 -2.45 0.00 0.00 -0.71 0.00 0.00 39.64 36.75 2joe n ILE 102 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 2joe n ASN 103 N 3.15 4.40 -0.08 4.38 2.85 -1.26 -4.08 115.26 124.63 2joe n ASN 103 Ca 0.71 -2.94 -0.12 0.00 -0.11 0.00 0.00 54.58 52.12 2joe n ASN 103 Cb 0.34 -1.60 -0.07 0.00 1.24 0.00 0.00 39.78 39.69 2joe n ASN 103 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 2joe n VAL 104 N 4.57 0.91 -3.53 3.44 0.31 -1.26 -5.01 118.33 117.76 2joe n VAL 104 Ca 0.47 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 2joe n VAL 104 Cb 0.39 -1.14 -0.04 0.00 -0.91 0.00 0.00 33.84 32.14 2joe n VAL 104 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2joe s SER 105 N -5.65 -0.87 0.50 4.52 1.04 -1.26 -5.03 113.70 106.95 2joe s SER 105 Ca -0.22 1.20 0.33 0.00 0.48 0.00 0.00 55.95 57.74 2joe s SER 105 Cb 0.06 1.97 1.55 0.00 0.10 0.00 0.00 66.02 69.70 2joe s SER 105 CO 0.36 -0.17 1.99 0.00 0.98 0.00 0.00 173.24 176.41 2joe h ALA 106 N 7.72 1.00 0.00 5.32 0.00 -1.95 -2.15 119.26 129.20 2joe h ALA 106 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 2joe h ALA 106 Cb 1.11 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2joe h ALA 106 CO 0.09 0.00 -0.49 0.93 0.00 0.00 0.00 179.25 179.78 2joe h GLU 107 N 0.00 0.00 -0.33 0.00 5.08 -1.97 -3.30 114.58 114.06 2joe h GLU 107 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2joe h GLU 107 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2joe h GLU 107 CO 0.00 0.49 -0.38 0.22 -1.00 0.00 0.00 179.01 178.34 2joe h ASP 108 N 0.00 0.81 0.52 1.42 3.58 -1.80 -1.35 116.42 119.60 2joe h ASP 108 Ca -0.00 -0.36 0.00 0.00 0.42 0.00 0.00 57.03 57.09 2joe h ASP 108 Cb 1.21 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 42.04 2joe h ASP 108 CO 0.06 1.10 0.00 0.00 -2.88 0.00 0.00 179.24 177.52 2joe h ALA 109 N 0.94 1.00 0.00 -0.78 0.00 -1.70 -1.65 119.26 117.07 2joe h ALA 109 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2joe h ALA 109 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2joe h ALA 109 CO 0.08 0.00 -0.61 0.87 0.00 0.00 0.00 179.25 179.59 2joe h LYS 110 N 0.00 0.00 0.13 0.00 1.79 -1.37 -3.32 116.57 113.80 2joe h LYS 110 Ca 0.00 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.17 2joe h LYS 110 Cb 0.26 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 30.94 2joe h LYS 110 CO 0.00 0.00 -1.27 0.87 -1.08 0.00 0.00 179.45 177.97 2joe h LYS 111 N 0.00 0.62 0.00 3.15 1.57 -1.16 -3.49 116.57 117.25 2joe h LYS 111 Ca 0.00 -0.84 0.00 0.00 -1.87 0.00 0.00 60.65 57.94 2joe h LYS 111 Cb 0.80 0.28 0.00 0.00 0.08 0.00 0.00 32.23 33.39 2joe h LYS 111 CO 0.00 1.39 0.00 0.41 -0.57 0.00 0.00 179.45 180.68 2joe n GLY 112 N 1.41 2.55 3.58 3.86 0.00 -1.22 -5.06 105.19 110.32 2joe n GLY 112 Ca -0.14 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 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 3.73 0.00 -0.61 -1.09 -1.26 -4.90 121.20 117.07 2joe s ILE 113 Ca 0.00 0.62 0.00 0.00 -2.23 0.00 0.00 60.65 59.04 2joe s ILE 113 Cb 0.00 -4.33 0.00 0.00 -1.58 0.00 0.00 42.46 36.55 2joe s ILE 113 CO 0.00 -1.08 0.00 0.35 -1.23 0.00 0.00 174.94 172.98 2joe n THR 114 N 6.94 0.00 0.06 2.92 -2.24 -1.26 -4.44 114.28 116.26 2joe n THR 114 Ca 0.14 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.80 2joe n THR 114 Cb 0.49 -0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.57 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 0.38 -0.65 -0.78 4.05 -1.84 -3.14 114.93 112.95 2joe h MET 115 Ca 0.00 -0.38 0.09 0.00 -0.28 0.00 0.00 59.70 59.13 2joe h MET 115 Cb 0.00 0.10 -0.07 0.00 -0.80 0.00 0.00 31.60 30.83 2joe h MET 115 CO 0.00 1.05 0.28 0.00 0.23 0.00 0.00 176.91 178.48 2joe h ALA 116 N 0.82 0.87 0.35 0.39 0.00 -1.97 0.24 119.26 119.95 2joe h ALA 116 Ca -0.06 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2joe h ALA 116 Cb 1.50 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2joe h ALA 116 CO 0.15 -0.13 -0.19 1.96 0.00 0.00 0.00 179.25 181.04 2joe h GLN 117 N 0.50 -0.48 -0.83 0.00 7.50 -1.90 -2.76 115.11 117.14 2joe h GLN 117 Ca 0.32 0.03 0.17 0.00 0.50 0.00 0.00 58.65 59.68 2joe h GLN 117 Cb 0.37 0.11 -0.11 0.00 0.05 0.00 0.00 27.48 27.90 2joe h GLN 117 CO -0.28 -0.32 0.36 0.52 -1.50 0.00 0.00 178.83 177.61 2joe h MET 118 N -0.49 0.45 0.64 1.46 2.86 -1.45 0.40 114.93 118.79 2joe h MET 118 Ca -0.05 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 2joe h MET 118 Cb 0.39 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 2joe h MET 118 CO 0.06 0.30 -0.49 0.93 1.06 0.00 0.00 176.91 178.78 2joe h GLU 119 N 0.47 -1.04 -0.27 1.72 4.39 -0.98 0.23 114.58 119.09 2joe h GLU 119 Ca 0.48 0.07 -0.12 0.00 0.34 0.00 0.00 59.36 60.13 2joe h GLU 119 Cb 0.79 0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 2joe h GLU 119 CO -0.44 -0.70 -0.33 -0.07 -1.16 0.00 0.00 179.01 176.31 2joe h LEU 120 N -1.08 0.59 -0.11 1.33 4.07 -1.12 -2.60 115.31 116.39 2joe h LEU 120 Ca -0.08 -0.24 -0.14 0.00 0.08 0.00 0.00 57.88 57.50 2joe h LEU 120 Cb 0.90 -0.16 0.01 0.00 1.08 0.00 0.00 40.66 42.48 2joe h LEU 120 CO 0.03 0.88 -0.49 0.58 -1.08 0.00 0.00 178.44 178.35 2joe h VAL 121 N 0.49 1.36 -0.04 1.22 2.07 -0.14 -0.83 116.25 120.38 2joe h VAL 121 Ca 0.06 -1.80 -0.14 0.00 0.82 0.00 0.00 66.70 65.63 2joe h VAL 121 Cb 0.81 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 2joe h VAL 121 CO 0.07 0.54 -0.62 0.24 0.02 0.00 0.00 177.57 177.82 2joe h MET 122 N 0.14 0.14 0.00 1.57 2.86 -0.58 -1.96 114.93 117.11 2joe h MET 122 Ca -0.03 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2joe h MET 122 Cb 1.13 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.81 2joe h MET 122 CO 0.10 0.72 0.00 0.87 1.06 0.00 0.00 176.91 179.66 2joe h LYS 123 N 0.10 0.00 0.00 1.72 1.57 -1.44 -0.01 116.57 118.51 2joe h LYS 123 Ca -0.01 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 2joe h LYS 123 Cb 1.12 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 2joe h LYS 123 CO 0.09 0.00 -0.62 0.00 -0.57 0.00 0.00 179.45 178.35 2joe h ALA 124 N 2.34 0.67 0.00 3.86 0.00 -0.43 -3.15 119.26 122.55 2joe h ALA 124 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2joe h ALA 124 Cb 0.71 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2joe h ALA 124 CO 0.00 0.77 -0.55 0.00 0.00 0.00 0.00 179.25 179.47 2joe h ALA 125 N 1.38 0.72 0.00 0.00 0.00 -0.96 -3.48 119.26 116.92 2joe h ALA 125 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2joe h ALA 125 Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2joe h ALA 125 CO 0.08 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.74 2joe n GLY 126 N 1.15 1.56 3.84 0.00 0.00 -0.68 -5.09 105.19 105.98 2joe n GLY 126 Ca 0.02 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 3.44 0.02 1.61 0.08 -0.10 -5.00 117.98 116.02 2joe s PHE 127 Ca 0.00 1.21 0.09 0.00 0.12 0.00 0.00 56.93 58.35 2joe s PHE 127 Cb 0.00 -2.52 -0.02 0.00 -0.57 0.00 0.00 43.02 39.90 2joe s PHE 127 CO 0.00 0.17 -0.26 0.21 -0.10 0.00 0.00 175.22 175.24 2joe s LYS 128 N -2.73 1.89 0.87 0.44 2.20 -1.26 -4.55 119.74 116.60 2joe s LYS 128 Ca 0.51 -1.02 -0.11 0.00 -0.36 0.00 0.00 55.97 54.99 2joe s LYS 128 Cb -0.12 -1.96 0.12 0.00 -1.51 0.00 0.00 37.83 34.36 2joe s LYS 128 CO 0.18 0.52 1.15 -1.21 -0.36 0.00 0.00 175.35 175.64 2joe s GLU 129 N -0.97 1.32 0.00 4.03 8.01 -1.26 -2.68 118.70 127.15 2joe s GLU 129 Ca 0.11 1.54 0.00 0.00 0.01 0.00 0.00 54.97 56.63 2joe s GLU 129 Cb -0.10 -1.76 0.00 0.00 -4.31 0.00 0.00 34.13 27.96 2joe s GLU 129 CO 0.01 -2.41 0.00 0.28 0.01 0.00 0.00 175.26 173.15 2joe n VAL 130 N -3.93 0.00 -2.35 2.63 0.31 0.21 -4.68 118.33 110.51 2joe n VAL 130 Ca 0.12 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.58 2joe n VAL 130 Cb 0.52 -0.23 -0.03 0.00 -0.91 0.00 0.00 33.84 33.18 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 -1.96 -2.03 -3.62 5.55 5.02 0.25 -4.62 118.16 116.75 2joe n LYS 131 Ca 0.00 1.34 -0.39 0.00 -2.02 0.00 0.00 58.31 57.24 2joe n LYS 131 Cb 0.00 -2.47 -0.08 0.00 -0.02 0.00 0.00 35.03 32.47 2joe n LYS 131 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2joe s LEU 132 N 0.00 5.60 0.16 -0.35 1.02 -1.26 -4.78 118.68 119.07 2joe s LEU 132 Ca 0.00 -2.92 0.18 0.00 0.02 0.00 0.00 54.13 51.42 2joe s LEU 132 Cb 0.00 -1.94 -0.03 0.00 0.02 0.00 0.00 46.19 44.24 2joe s LEU 132 CO 0.00 -0.39 1.04 -0.08 0.02 0.00 0.00 176.35 176.94 2joe h GLU 133 N 7.08 0.00 -5.30 1.70 4.81 -2.02 -3.42 114.58 117.43 2joe h GLU 133 Ca 0.03 0.00 -0.69 0.00 -0.13 0.00 0.00 59.36 58.57 2joe h GLU 133 Cb 0.96 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.20 2joe h GLU 133 CO 0.73 0.23 1.48 -1.01 -0.73 0.00 0.00 179.01 179.71 2joe s HIS 134 N -3.07 3.09 0.34 0.92 3.76 -1.26 -4.88 115.29 114.19 2joe s HIS 134 Ca -0.00 -1.65 0.00 0.00 -0.15 0.00 0.00 55.06 53.26 2joe s HIS 134 Cb 0.08 -4.48 0.00 0.00 1.11 0.00 0.00 32.58 29.30 2joe s HIS 134 CO 0.79 -1.60 0.00 0.72 -0.85 0.00 0.00 174.74 173.79 2joe n HIS 135 N 7.04 -2.33 -2.91 1.40 8.25 -1.26 -4.91 115.22 120.50 2joe n HIS 135 Ca 0.36 1.25 -0.30 0.00 -0.26 0.00 0.00 57.72 58.77 2joe n HIS 135 Cb 0.46 -2.12 -0.03 0.00 1.12 0.00 0.00 29.99 29.42 2joe n HIS 135 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2joe s HIS 136 N -3.23 3.47 0.00 4.41 3.76 -1.26 -4.96 115.29 117.47 2joe s HIS 136 Ca 0.00 1.02 0.00 0.00 -0.15 0.00 0.00 55.06 55.93 2joe s HIS 136 Cb 0.00 -2.42 0.00 0.00 1.11 0.00 0.00 32.58 31.27 2joe s HIS 136 CO 0.00 -0.07 0.00 0.72 -0.85 0.00 0.00 174.74 174.54 2joe n HIS 137 N -1.22 0.00 0.12 1.40 8.25 -1.26 -4.90 115.22 117.61 2joe n HIS 137 Ca 0.02 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.47 2joe n HIS 137 Cb 0.54 0.00 0.22 0.00 1.12 0.00 0.00 29.99 31.87 2joe n HIS 137 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2joe h HIS 138 N 0.00 0.17 0.00 4.41 3.86 -2.03 -3.57 115.15 117.99 2joe h HIS 138 Ca 0.00 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 2joe h HIS 138 Cb 0.00 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.44 2joe h HIS 138 CO 0.00 0.60 0.00 0.72 0.86 0.00 0.00 177.93 180.11