#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 -1.24 1.84 3.03 0.00 -1.26 -4.66 105.19 102.90 2joe n GLY 2 Ca 0.00 0.51 -0.08 0.00 0.00 0.00 0.00 46.02 46.45 2joe n GLY 2 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2joe n ASP 3 N -2.10 4.23 0.07 1.61 8.00 -1.26 -3.28 116.55 123.82 2joe n ASP 3 Ca -0.07 -3.36 0.11 0.00 0.71 0.00 0.00 54.79 52.18 2joe n ASP 3 Cb 0.55 -0.73 -0.05 0.00 -0.02 0.00 0.00 41.12 40.87 2joe n ASP 3 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2joe n LYS 4 N -0.52 0.61 -1.58 -1.24 5.02 -1.26 -5.08 118.16 114.11 2joe n LYS 4 Ca 0.42 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 2joe n LYS 4 Cb 1.36 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 34.65 2joe n LYS 4 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2joe n GLU 5 N -2.51 -4.18 -3.41 1.97 1.02 -1.20 -4.93 120.64 107.39 2joe n GLU 5 Ca -0.01 3.05 -0.40 0.00 -0.02 0.00 0.00 57.16 59.77 2joe n GLU 5 Cb 0.55 -3.25 -0.09 0.00 -0.02 0.00 0.00 31.44 28.63 2joe n GLU 5 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2joe s GLU 6 N -1.84 3.63 -0.36 3.49 0.41 0.40 -4.89 118.70 119.55 2joe s GLU 6 Ca 0.00 -0.36 -0.13 0.00 -0.41 0.00 0.00 54.97 54.07 2joe s GLU 6 Cb 0.00 -3.78 0.00 0.00 -1.78 0.00 0.00 34.13 28.57 2joe s GLU 6 CO 0.00 -0.48 0.24 -1.12 -0.49 0.00 0.00 175.26 173.41 2joe s SER 7 N 1.72 5.92 -0.24 -0.19 0.01 -1.26 -0.47 113.70 119.20 2joe s SER 7 Ca 0.12 -0.70 -0.03 0.00 1.31 0.00 0.00 55.95 56.65 2joe s SER 7 Cb -0.16 -2.10 0.01 0.00 0.21 0.00 0.00 66.02 63.97 2joe s SER 7 CO 0.11 -0.32 -0.04 -0.75 0.41 0.00 0.00 173.24 172.65 2joe s LYS 8 N 1.66 3.13 0.02 12.44 2.47 -0.65 -4.46 119.74 134.35 2joe s LYS 8 Ca 0.05 -0.79 0.01 0.00 -1.56 0.00 0.00 55.97 53.68 2joe s LYS 8 Cb -0.18 -3.02 -0.04 0.00 -1.46 0.00 0.00 37.83 33.14 2joe s LYS 8 CO 0.09 -0.30 0.07 0.21 0.16 0.00 0.00 175.35 175.58 2joe s LYS 9 N 1.42 2.99 0.04 4.03 2.20 -1.08 -1.82 119.74 127.51 2joe s LYS 9 Ca 0.03 -0.55 0.05 0.00 -0.36 0.00 0.00 55.97 55.14 2joe s LYS 9 Cb -0.15 -2.80 -0.02 0.00 -1.51 0.00 0.00 37.83 33.34 2joe s LYS 9 CO -0.04 0.62 -0.15 -0.59 -0.36 0.00 0.00 175.35 174.84 2joe s PHE 10 N -1.23 1.27 -0.10 4.03 -0.12 -0.73 -0.02 117.98 121.07 2joe s PHE 10 Ca 0.24 -0.36 -0.06 0.00 -0.05 0.00 0.00 56.93 56.71 2joe s PHE 10 Cb -0.12 -0.75 0.04 0.00 -0.63 0.00 0.00 43.02 41.56 2joe s PHE 10 CO 0.16 0.04 0.24 0.45 -0.05 0.00 0.00 175.22 176.06 2joe s SER 11 N -1.15 -0.26 -0.04 1.98 0.15 -0.17 -0.85 113.70 113.36 2joe s SER 11 Ca 0.02 0.52 -0.02 0.00 0.70 0.00 0.00 55.95 57.17 2joe s SER 11 Cb -0.08 0.42 0.03 0.00 -1.71 0.00 0.00 66.02 64.68 2joe s SER 11 CO 0.01 -0.15 0.09 0.00 1.20 0.00 0.00 173.24 174.39 2joe s ALA 12 N 1.08 -0.13 -0.49 5.45 0.00 -0.76 -3.36 121.76 123.55 2joe s ALA 12 Ca -0.08 0.46 -0.25 0.00 0.00 0.00 0.00 51.96 52.10 2joe s ALA 12 Cb -0.09 -0.32 0.03 0.00 0.00 0.00 0.00 23.12 22.74 2joe s ALA 12 CO -0.07 -0.12 0.91 1.21 0.00 0.00 0.00 175.76 177.69 2joe s ASN 13 N 0.93 6.43 0.09 0.00 3.04 -1.26 -2.33 114.94 121.84 2joe s ASN 13 Ca -0.07 -0.09 0.00 0.00 0.04 0.00 0.00 52.86 52.74 2joe s ASN 13 Cb -0.10 -2.43 0.00 0.00 -1.54 0.00 0.00 41.25 37.18 2joe s ASN 13 CO -0.04 -1.09 0.00 0.18 -3.04 0.00 0.00 177.10 173.11 2joe n LEU 14 N 7.19 0.00 -0.17 3.21 4.77 0.43 -4.93 117.00 127.50 2joe n LEU 14 Ca 0.04 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.13 2joe n LEU 14 Cb 0.48 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 42.00 2joe n LEU 14 CO 0.63 -0.05 1.21 -0.55 -1.33 0.00 0.00 177.39 177.29 2joe h ASN 15 N 0.00 0.53 0.00 -1.43 7.08 -2.02 -3.34 115.58 116.41 2joe h ASN 15 Ca 0.00 0.02 -0.05 0.00 -3.08 0.00 0.00 56.30 53.19 2joe h ASN 15 Cb 0.00 -0.09 -0.05 0.00 -2.08 0.00 0.00 38.32 36.10 2joe h ASN 15 CO 0.00 0.31 -0.12 0.61 -2.08 0.00 0.00 177.43 176.15 2joe n GLY 16 N -1.48 0.82 2.85 9.14 0.00 -1.26 -4.93 105.19 110.33 2joe n GLY 16 Ca 0.12 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 2joe n GLY 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2joe s THR 17 N 0.00 0.30 -0.53 2.61 -4.23 -1.25 -0.80 115.64 111.74 2joe s THR 17 Ca 0.00 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.33 2joe s THR 17 Cb 0.00 -0.36 0.07 0.00 1.34 0.00 0.00 72.50 73.56 2joe s THR 17 CO -0.00 0.16 0.62 -1.61 -0.54 0.00 0.00 174.62 173.25 2joe s GLU 18 N 0.89 3.08 -0.49 3.99 2.02 0.55 -0.43 118.70 128.32 2joe s GLU 18 Ca -0.10 -1.07 -0.17 0.00 0.02 0.00 0.00 54.97 53.65 2joe s GLU 18 Cb -0.13 -4.15 0.07 0.00 0.10 0.00 0.00 34.13 30.02 2joe s GLU 18 CO -0.01 -1.29 0.51 0.42 0.02 0.00 0.00 175.26 174.91 2joe s ILE 19 N 2.52 5.07 -0.31 -1.63 1.01 -0.98 -0.34 121.20 126.54 2joe s ILE 19 Ca 0.13 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 59.96 2joe s ILE 19 Cb -0.21 -4.22 0.08 0.00 0.01 0.00 0.00 42.46 38.12 2joe s ILE 19 CO 0.10 -0.71 -0.02 0.00 0.00 0.00 0.00 174.94 174.31 2joe s ALA 20 N 2.08 2.74 -0.30 9.38 0.00 -0.30 -1.83 121.76 133.54 2joe s ALA 20 Ca 0.09 -2.20 -0.08 0.00 0.00 0.00 0.00 51.96 49.77 2joe s ALA 20 Cb -0.22 -1.80 -0.00 0.00 0.00 0.00 0.00 23.12 21.09 2joe s ALA 20 CO 0.09 -1.48 0.10 0.42 0.00 0.00 0.00 175.76 174.89 2joe s ILE 21 N 1.00 4.21 -0.70 0.00 1.01 -0.03 -2.08 121.20 124.60 2joe s ILE 21 Ca 0.02 -0.55 -0.15 0.00 0.00 0.00 0.00 60.65 59.98 2joe s ILE 21 Cb -0.19 -3.14 0.18 0.00 0.01 0.00 0.00 42.46 39.32 2joe s ILE 21 CO -0.07 0.10 0.65 -0.89 0.00 0.00 0.00 174.94 174.74 2joe s THR 22 N 1.55 5.41 -0.13 2.92 2.01 0.68 -1.78 115.64 126.31 2joe s THR 22 Ca 0.04 -2.08 -0.21 0.00 0.31 0.00 0.00 61.69 59.75 2joe s THR 22 Cb -0.17 -4.40 -0.03 0.00 0.01 0.00 0.00 72.50 67.91 2joe s THR 22 CO 0.04 -0.96 0.63 -0.72 -0.69 0.00 0.00 174.62 172.91 2joe s TYR 23 N 0.76 3.48 -0.33 4.92 -0.85 -0.76 -0.64 117.35 123.94 2joe s TYR 23 Ca 0.12 1.05 -0.11 0.00 -0.52 0.00 0.00 57.07 57.60 2joe s TYR 23 Cb -0.18 -2.75 -0.01 0.00 0.38 0.00 0.00 41.96 39.39 2joe s TYR 23 CO -0.04 0.00 0.20 0.08 -1.52 0.00 0.00 175.55 174.27 2joe s VAL 24 N 1.21 4.96 0.20 -3.49 1.01 0.15 -1.64 120.40 122.79 2joe s VAL 24 Ca 0.32 -0.33 0.10 0.00 0.00 0.00 0.00 61.98 62.06 2joe s VAL 24 Cb -0.16 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 2joe s VAL 24 CO 0.13 0.01 -0.13 -0.72 0.00 0.00 0.00 175.10 174.39 2joe s TYR 25 N 1.67 2.53 -0.35 5.22 1.13 0.38 -1.16 117.35 126.77 2joe s TYR 25 Ca 0.05 -0.26 0.01 0.00 -1.41 0.00 0.00 57.07 55.46 2joe s TYR 25 Cb -0.17 -1.22 0.11 0.00 -1.10 0.00 0.00 41.96 39.57 2joe s TYR 25 CO 0.09 0.53 0.12 0.21 -2.51 0.00 0.00 175.55 173.98 2joe s LYS 26 N -2.88 1.09 5.87 -3.49 2.20 0.71 -0.45 119.74 122.78 2joe s LYS 26 Ca 0.24 -1.53 0.00 0.00 -0.36 0.00 0.00 55.97 54.32 2joe s LYS 26 Cb -0.08 -2.45 0.00 0.00 -1.51 0.00 0.00 37.83 33.79 2joe s LYS 26 CO 0.14 -1.01 0.00 0.41 -0.36 0.00 0.00 175.35 174.53 2joe n GLY 27 N 4.37 1.80 0.05 5.54 0.00 -1.26 -3.55 105.19 112.14 2joe n GLY 27 Ca 0.02 -0.51 -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 1.34 0.00 0.00 0.00 173.32 174.66 2joe n ASP 28 N 7.77 1.35 -4.68 1.61 -0.08 -1.26 -4.94 116.55 116.33 2joe n ASP 28 Ca 0.00 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.85 2joe n ASP 28 Cb 0.00 1.23 -0.02 0.00 2.34 0.00 0.00 41.12 44.66 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 -2.67 4.32 -0.08 -0.67 2.20 -1.23 -2.18 119.74 119.43 2joe s LYS 29 Ca -0.07 1.60 -0.26 0.00 -0.36 0.00 0.00 55.97 56.89 2joe s LYS 29 Cb 0.07 -3.61 -0.03 0.00 -1.51 0.00 0.00 37.83 32.75 2joe s LYS 29 CO 0.63 -0.51 0.81 0.08 -0.36 0.00 0.00 175.35 176.00 2joe s VAL 30 N 2.60 4.95 -0.06 4.02 1.01 -1.26 -0.21 120.40 131.45 2joe s VAL 30 Ca 0.53 1.65 0.07 0.00 0.00 0.00 0.00 61.98 64.23 2joe s VAL 30 Cb -0.22 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 31.93 2joe s VAL 30 CO 0.18 0.16 0.05 0.18 0.00 0.00 0.00 175.10 175.67 2joe n LEU 31 N 4.25 0.00 -4.03 3.92 4.77 -0.31 -4.75 117.00 120.85 2joe n LEU 31 Ca 0.02 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.89 2joe n LEU 31 Cb 0.50 0.14 -0.11 0.00 -2.33 0.00 0.00 43.42 41.62 2joe n LEU 31 CO 0.49 0.14 -0.38 -0.54 -1.33 0.00 0.00 177.39 175.76 2joe s LYS 32 N -2.24 0.44 -0.19 3.23 1.02 -0.55 -0.18 119.74 121.27 2joe s LYS 32 Ca -0.03 -0.74 -0.05 0.00 0.02 0.00 0.00 55.97 55.17 2joe s LYS 32 Cb 0.03 -0.08 0.07 0.00 -0.52 0.00 0.00 37.83 37.33 2joe s LYS 32 CO 0.29 -0.01 0.11 -1.14 -0.92 0.00 0.00 175.35 173.68 2joe s GLN 33 N -1.74 0.09 -0.86 1.68 0.74 0.84 0.30 119.66 120.71 2joe s GLN 33 Ca -0.11 -0.12 -0.19 0.00 0.05 0.00 0.00 55.36 54.99 2joe s GLN 33 Cb -0.08 -1.67 0.13 0.00 1.10 0.00 0.00 33.01 32.48 2joe s GLN 33 CO -0.01 -0.72 1.05 0.45 -0.55 0.00 0.00 175.29 175.50 2joe s SER 34 N 2.15 6.53 -0.73 6.67 0.15 0.19 -0.20 113.70 128.46 2joe s SER 34 Ca 0.03 -1.88 -0.16 0.00 0.70 0.00 0.00 55.95 54.64 2joe s SER 34 Cb -0.16 -2.38 0.17 0.00 -1.71 0.00 0.00 66.02 61.94 2joe s SER 34 CO -0.14 -1.09 0.74 -0.44 1.20 0.00 0.00 173.24 173.51 2joe s SER 35 N 3.54 6.51 -0.18 5.45 0.01 0.14 -0.23 113.70 128.95 2joe s SER 35 Ca 0.28 -2.18 -0.15 0.00 1.31 0.00 0.00 55.95 55.21 2joe s SER 35 Cb -0.08 -2.25 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 2joe s SER 35 CO -0.05 -0.79 0.37 -0.70 0.41 0.00 0.00 173.24 172.48 2joe s GLU 36 N 1.25 4.23 -0.25 12.44 2.12 -0.88 -0.27 118.70 137.33 2joe s GLU 36 Ca 0.15 0.20 0.01 0.00 0.36 0.00 0.00 54.97 55.70 2joe s GLU 36 Cb -0.17 -3.49 0.05 0.00 0.26 0.00 0.00 34.13 30.78 2joe s GLU 36 CO -0.04 0.08 -0.11 0.99 -0.54 0.00 0.00 175.26 175.65 2joe s THR 37 N 0.93 2.33 -0.58 -1.70 2.01 0.25 -1.15 115.64 117.73 2joe s THR 37 Ca 0.19 -1.38 -0.20 0.00 0.31 0.00 0.00 61.69 60.60 2joe s THR 37 Cb -0.14 -2.26 0.08 0.00 0.01 0.00 0.00 72.50 70.18 2joe s THR 37 CO 0.07 0.11 0.78 -0.75 -0.69 0.00 0.00 174.62 174.14 2joe s LYS 38 N 1.19 3.11 -0.39 4.92 2.20 0.54 -2.02 119.74 129.30 2joe s LYS 38 Ca -0.04 -0.96 -0.21 0.00 -0.36 0.00 0.00 55.97 54.40 2joe s LYS 38 Cb -0.18 -4.19 0.01 0.00 -1.51 0.00 0.00 37.83 31.96 2joe s LYS 38 CO -0.06 -1.52 0.66 0.42 -0.36 0.00 0.00 175.35 174.49 2joe s ILE 39 N 3.17 4.84 0.58 5.43 1.09 -0.12 -0.33 121.20 135.86 2joe s ILE 39 Ca 0.17 0.47 -0.17 0.00 -1.10 0.00 0.00 60.65 60.03 2joe s ILE 39 Cb -0.20 -4.14 -0.04 0.00 -1.06 0.00 0.00 42.46 37.02 2joe s ILE 39 CO 0.10 -0.43 1.06 -1.10 -0.10 0.00 0.00 174.94 174.48 2joe s GLN 40 N 2.82 3.36 -0.97 2.79 -1.52 0.02 -0.21 119.66 125.94 2joe s GLN 40 Ca 0.25 1.28 -0.13 0.00 -1.95 0.00 0.00 55.36 54.81 2joe s GLN 40 Cb -0.14 -2.03 -0.08 0.00 -0.22 0.00 0.00 33.01 30.53 2joe s GLN 40 CO 0.17 -0.78 2.13 1.19 -0.25 0.00 0.00 175.29 177.74 2joe n PHE 41 N -1.81 1.83 0.05 0.91 3.01 0.20 -3.60 117.46 118.04 2joe n PHE 41 Ca 0.09 -2.09 0.00 0.00 1.01 0.00 0.00 57.45 56.46 2joe n PHE 41 Cb 0.53 -1.83 0.00 0.00 -0.01 0.00 0.00 39.48 38.16 2joe n PHE 41 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2joe n ALA 42 N 5.48 2.09 0.21 4.37 0.00 -1.26 -4.76 120.51 126.64 2joe n ALA 42 Ca 0.50 0.00 0.08 0.00 0.00 0.00 0.00 53.44 54.02 2joe n ALA 42 Cb 0.26 0.00 0.46 0.00 0.00 0.00 0.00 19.45 20.17 2joe n ALA 42 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2joe h SER 43 N 0.00 0.00 1.10 0.00 0.02 -1.85 -2.40 113.55 110.42 2joe h SER 43 Ca 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 2joe h SER 43 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2joe h SER 43 CO 0.00 0.28 -0.33 -0.29 -1.14 0.00 0.00 176.83 175.35 2joe h ILE 44 N 0.00 0.70 0.00 3.27 2.10 -1.91 -3.47 117.51 118.20 2joe h ILE 44 Ca -0.00 -1.52 0.00 0.00 1.08 0.00 0.00 64.86 64.42 2joe h ILE 44 Cb 0.71 2.00 0.00 0.00 -1.09 0.00 0.00 36.82 38.44 2joe h ILE 44 CO 0.04 0.32 0.00 0.61 -1.08 0.00 0.00 178.15 178.04 2joe n GLY 45 N 0.50 0.45 3.88 8.18 0.00 -0.90 -5.04 105.19 112.26 2joe n GLY 45 Ca 0.01 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 2joe n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2joe s ALA 46 N -2.00 3.83 0.00 4.61 0.00 -1.26 -5.01 121.76 121.93 2joe s ALA 46 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.96 2joe s ALA 46 Cb 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.46 2joe s ALA 46 CO 0.00 0.67 0.35 -2.37 0.00 0.00 0.00 175.76 174.41 2joe n THR 47 N -0.06 0.12 -3.72 0.00 5.66 -1.26 -4.39 114.28 110.63 2joe n THR 47 Ca -0.07 -0.19 -0.11 0.00 -3.05 0.00 0.00 64.05 60.62 2joe n THR 47 Cb 0.53 1.36 -0.07 0.00 -1.55 0.00 0.00 70.33 70.60 2joe n THR 47 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2joe s THR 48 N -0.12 0.08 0.18 1.09 2.01 -1.26 -5.04 115.64 112.58 2joe s THR 48 Ca 0.00 -0.65 -0.11 0.00 0.31 0.00 0.00 61.69 61.24 2joe s THR 48 Cb 0.00 -1.01 0.08 0.00 0.01 0.00 0.00 72.50 71.58 2joe s THR 48 CO 0.00 -0.36 1.70 0.07 -0.69 0.00 0.00 174.62 175.34 2joe h LYS 49 N 3.00 0.97 -0.22 4.92 2.10 -1.92 0.55 116.57 125.97 2joe h LYS 49 Ca -0.32 -0.22 -0.00 0.00 -2.00 0.00 0.00 60.65 58.11 2joe h LYS 49 Cb 1.21 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 32.39 2joe h LYS 49 CO 0.46 0.87 0.12 1.49 -2.00 0.00 0.00 179.45 180.40 2joe h GLU 50 N 0.89 0.30 -0.67 0.07 4.22 -1.97 -0.55 114.58 116.87 2joe h GLU 50 Ca 0.20 -0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.57 2joe h GLU 50 Cb 0.31 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 2joe h GLU 50 CO -0.00 0.26 0.28 0.22 -2.18 0.00 0.00 179.01 177.59 2joe h ASP 51 N 0.25 0.89 -0.09 1.04 3.58 -1.86 0.12 116.42 120.35 2joe h ASP 51 Ca 0.08 -0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 2joe h ASP 51 Cb 0.04 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 40.86 2joe h ASP 51 CO -0.01 0.79 0.01 0.00 -2.88 0.00 0.00 179.24 177.14 2joe h ALA 52 N 1.35 0.12 -0.64 -0.78 0.00 0.36 -2.46 119.26 117.21 2joe h ALA 52 Ca 0.23 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2joe h ALA 52 Cb 0.16 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2joe h ALA 52 CO -0.02 -0.21 0.41 0.00 0.00 0.00 0.00 179.25 179.43 2joe h ALA 53 N 0.76 0.82 0.00 0.00 0.00 -0.83 -0.62 119.26 119.40 2joe h ALA 53 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2joe h ALA 53 Cb 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2joe h ALA 53 CO 0.00 0.27 0.00 -0.22 0.00 0.00 0.00 179.25 179.30 2joe h LYS 54 N 0.87 0.00 0.01 0.00 3.64 -0.63 0.29 116.57 120.74 2joe h LYS 54 Ca 0.23 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 59.24 2joe h LYS 54 Cb -0.07 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.69 2joe h LYS 54 CO -0.05 0.00 -2.37 2.41 -2.27 0.00 0.00 179.45 177.17 2joe n THR 55 N -2.40 1.48 0.01 1.00 -1.04 -0.47 -4.62 114.28 108.23 2joe n THR 55 Ca -0.01 -0.70 0.00 0.00 -2.04 0.00 0.00 64.05 61.30 2joe n THR 55 Cb 0.06 -1.05 -0.10 0.00 -1.82 0.00 0.00 70.33 67.42 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 -3.06 0.61 -0.11 -4.42 4.77 -0.36 -4.36 117.00 110.06 2joe n LEU 56 Ca -0.38 0.27 -0.05 0.00 -0.03 0.00 0.00 56.01 55.81 2joe n LEU 56 Cb 1.06 0.13 0.02 0.00 -2.33 0.00 0.00 43.42 42.30 2joe n LEU 56 CO 0.35 0.17 0.85 -0.33 -1.33 0.00 0.00 177.39 177.09 2joe h GLU 57 N 0.00 0.10 0.00 3.23 4.39 -0.72 0.17 114.58 121.74 2joe h GLU 57 Ca -0.20 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.50 2joe h GLU 57 Cb 1.59 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.21 2joe h GLU 57 CO 0.04 0.06 0.00 -1.00 -1.16 0.00 0.00 179.01 176.95 2joe h PRO 58 N 0.10 0.00 0.08 2.33 0.13 -1.82 0.45 132.00 133.27 2joe h PRO 58 Ca 0.19 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 65.02 2joe h PRO 58 Cb 0.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.38 2joe h PRO 58 CO -0.32 0.00 -1.63 -0.07 -0.23 0.00 0.00 178.00 175.75 2joe h LEU 59 N 0.00 0.27 -1.49 1.56 4.07 -1.18 -3.36 115.31 115.19 2joe h LEU 59 Ca 0.00 -0.78 -0.05 0.00 0.08 0.00 0.00 57.88 57.13 2joe h LEU 59 Cb 0.01 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 2joe h LEU 59 CO 0.00 1.69 -0.26 0.77 -1.08 0.00 0.00 178.44 179.56 2joe h SER 60 N -0.37 0.00 0.45 -0.43 4.64 -0.36 -1.80 113.55 115.68 2joe h SER 60 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2joe h SER 60 Cb 1.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.82 2joe h SER 60 CO -0.02 0.26 0.00 0.00 -0.87 0.00 0.00 176.83 176.19 2joe n ALA 61 N -2.38 1.53 0.10 5.18 0.00 0.11 -1.96 120.51 123.10 2joe n ALA 61 Ca -0.02 0.01 -0.04 0.00 0.00 0.00 0.00 53.44 53.39 2joe n ALA 61 Cb 0.34 -1.24 0.06 0.00 0.00 0.00 0.00 19.45 18.61 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 0.05 -0.34 0.00 1.57 -1.46 -3.02 116.57 113.37 2joe h LYS 62 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2joe h LYS 62 Cb 0.23 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2joe h LYS 62 CO 0.00 0.78 0.00 0.66 -0.57 0.00 0.00 179.45 180.32 2joe n TYR 63 N -3.67 0.11 -1.53 -1.35 4.02 -0.83 -4.87 117.16 109.04 2joe n TYR 63 Ca -0.01 -0.05 -0.31 0.00 -0.01 0.00 0.00 57.90 57.52 2joe n TYR 63 Cb 0.73 -0.04 -0.10 0.00 -0.02 0.00 0.00 39.34 39.91 2joe n TYR 63 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 2joe n LYS 64 N -0.21 0.51 -3.82 -0.72 4.81 -1.14 -2.45 118.16 115.15 2joe n LYS 64 Ca 0.02 -0.18 -0.25 0.00 -0.87 0.00 0.00 58.31 57.03 2joe n LYS 64 Cb 0.14 -2.63 0.02 0.00 0.02 0.00 0.00 35.03 32.57 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 13.61 -2.30 -0.16 3.14 2.85 -1.26 -4.87 115.26 126.26 2joe n ASN 65 Ca 0.51 -0.83 -0.08 0.00 -0.11 0.00 0.00 54.58 54.07 2joe n ASN 65 Cb 0.33 -3.84 0.07 0.00 1.24 0.00 0.00 39.78 37.58 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 -1.93 1.26 0.00 -1.44 2.04 -1.82 -3.49 117.51 112.14 2joe h ILE 66 Ca -0.60 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.10 2joe h ILE 66 Cb 1.37 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 2joe h ILE 66 CO 0.61 0.41 0.00 0.00 0.00 0.00 0.00 178.15 179.17 2joe n ALA 67 N -2.49 0.00 -0.60 1.87 0.00 -1.26 -3.81 120.51 114.23 2joe n ALA 67 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.41 2joe n ALA 67 Cb 0.36 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.74 2joe n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2joe n GLY 68 N 0.00 2.35 3.66 0.00 0.00 -1.26 -4.84 105.19 105.09 2joe n GLY 68 Ca 0.00 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.14 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 0.90 5.04 -0.47 1.61 -7.23 -1.25 -1.89 120.40 117.12 2joe s VAL 69 Ca 0.27 1.14 0.04 0.00 -1.81 0.00 0.00 61.98 61.62 2joe s VAL 69 Cb 0.13 -3.93 0.12 0.00 0.56 0.00 0.00 36.38 33.26 2joe s VAL 69 CO 0.00 0.12 0.20 -1.61 -0.31 0.00 0.00 175.10 173.50 2joe s GLU 70 N 1.87 1.83 -0.70 4.82 2.02 0.85 -4.85 118.70 124.55 2joe s GLU 70 Ca 0.28 -2.40 -0.26 0.00 0.02 0.00 0.00 54.97 52.60 2joe s GLU 70 Cb -0.16 -3.29 0.04 0.00 0.10 0.00 0.00 34.13 30.82 2joe s GLU 70 CO 0.10 -1.06 1.20 -1.83 0.02 0.00 0.00 175.26 173.69 2joe s GLU 71 N 0.06 3.22 -0.49 1.61 1.03 -1.26 -0.95 118.70 121.92 2joe s GLU 71 Ca 0.15 -0.29 -0.16 0.00 0.03 0.00 0.00 54.97 54.71 2joe s GLU 71 Cb -0.24 -4.16 0.09 0.00 -0.80 0.00 0.00 34.13 29.02 2joe s GLU 71 CO -0.02 -2.00 0.43 0.21 -1.33 0.00 0.00 175.26 172.54 2joe s LYS 72 N 5.26 2.98 -0.36 -4.83 2.20 0.21 -4.94 119.74 120.25 2joe s LYS 72 Ca 0.33 -1.47 -0.18 0.00 -0.36 0.00 0.00 55.97 54.29 2joe s LYS 72 Cb -0.10 -4.18 0.00 0.00 -1.51 0.00 0.00 37.83 32.04 2joe s LYS 72 CO 0.16 -1.13 0.53 -0.51 -0.36 0.00 0.00 175.35 174.03 2joe s LEU 73 N 1.62 4.39 -0.23 5.43 1.43 -1.26 -1.73 118.68 128.33 2joe s LEU 73 Ca 0.04 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 2joe s LEU 73 Cb -0.26 -2.59 0.04 0.00 0.03 0.00 0.00 46.19 43.40 2joe s LEU 73 CO 0.05 -0.52 -0.12 0.42 0.23 0.00 0.00 176.35 176.42 2joe s THR 74 N 2.43 2.39 -0.15 5.49 -4.23 -0.05 -4.99 115.64 116.53 2joe s THR 74 Ca 0.19 -1.23 -0.08 0.00 -1.18 0.00 0.00 61.69 59.40 2joe s THR 74 Cb -0.15 -2.22 -0.04 0.00 1.34 0.00 0.00 72.50 71.42 2joe s THR 74 CO 0.14 0.21 0.12 -0.31 -0.54 0.00 0.00 174.62 174.24 2joe s TYR 75 N 1.23 3.48 0.00 3.99 2.02 -1.26 -0.46 117.35 126.36 2joe s TYR 75 Ca -0.02 0.41 0.00 0.00 -0.37 0.00 0.00 57.07 57.09 2joe s TYR 75 Cb -0.17 -2.01 0.00 0.00 -0.40 0.00 0.00 41.96 39.38 2joe s TYR 75 CO -0.07 0.54 0.00 0.25 -1.57 0.00 0.00 175.55 174.70 2joe n THR 76 N 2.59 0.00 0.01 -0.71 -2.24 -0.47 -5.00 114.28 108.46 2joe n THR 76 Ca -0.18 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.63 2joe n THR 76 Cb 0.54 -0.11 -0.10 0.00 -2.10 0.00 0.00 70.33 68.56 2joe n THR 76 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2joe n ASP 77 N 0.00 0.53 -0.05 3.42 5.75 -1.26 -4.25 116.55 120.68 2joe n ASP 77 Ca 0.00 0.22 -0.06 0.00 -0.01 0.00 0.00 54.79 54.94 2joe n ASP 77 Cb 0.00 0.77 -0.07 0.00 -1.03 0.00 0.00 41.12 40.79 2joe n ASP 77 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 2joe n THR 78 N -2.68 0.70 -3.98 2.12 -1.04 -1.26 -4.84 114.28 103.29 2joe n THR 78 Ca -0.10 -0.37 -0.09 0.00 -2.04 0.00 0.00 64.05 61.45 2joe n THR 78 Cb 0.77 -0.81 -0.10 0.00 -1.82 0.00 0.00 70.33 68.37 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 -2.25 0.31 -0.23 -1.42 1.13 -1.26 -0.62 117.35 113.01 2joe s TYR 79 Ca -0.09 -0.69 -0.05 0.00 -1.41 0.00 0.00 57.07 54.83 2joe s TYR 79 Cb 0.03 -0.22 -0.01 0.00 -1.10 0.00 0.00 41.96 40.66 2joe s TYR 79 CO 0.37 -0.35 -0.01 0.00 -2.51 0.00 0.00 175.55 173.05 2joe s ALA 80 N -2.88 2.90 -0.48 9.51 0.00 0.71 -1.36 121.76 130.15 2joe s ALA 80 Ca -0.03 -1.16 -0.17 0.00 0.00 0.00 0.00 51.96 50.61 2joe s ALA 80 Cb 0.00 -1.80 0.06 0.00 0.00 0.00 0.00 23.12 21.39 2joe s ALA 80 CO -0.06 -0.45 0.46 -1.14 0.00 0.00 0.00 175.76 174.57 2joe s GLN 81 N 1.51 3.03 -0.65 0.00 -0.44 0.39 -0.94 119.66 122.56 2joe s GLN 81 Ca 0.06 -1.17 -0.11 0.00 -2.50 0.00 0.00 55.36 51.64 2joe s GLN 81 Cb -0.14 -4.11 0.17 0.00 -1.64 0.00 0.00 33.01 27.28 2joe s GLN 81 CO -0.02 -1.07 0.55 -2.00 0.50 0.00 0.00 175.29 173.26 2joe s GLU 82 N 1.96 3.01 -0.53 1.67 2.12 -0.86 -0.87 118.70 125.21 2joe s GLU 82 Ca 0.08 -2.20 -0.23 0.00 0.36 0.00 0.00 54.97 52.98 2joe s GLU 82 Cb -0.22 -4.13 0.04 0.00 0.26 0.00 0.00 34.13 30.08 2joe s GLU 82 CO 0.09 -1.25 0.85 1.21 -0.54 0.00 0.00 175.26 175.62 2joe s ASN 83 N 2.16 6.32 -0.50 -1.70 3.04 -0.71 -0.58 114.94 122.97 2joe s ASN 83 Ca 0.13 -0.44 -0.18 0.00 0.04 0.00 0.00 52.86 52.41 2joe s ASN 83 Cb -0.19 -2.40 0.07 0.00 -1.54 0.00 0.00 41.25 37.19 2joe s ASN 83 CO -0.04 -1.11 0.53 -0.69 -3.04 0.00 0.00 177.10 172.75 2joe s VAL 84 N 3.56 5.03 -0.56 -5.21 1.01 0.62 -0.62 120.40 124.24 2joe s VAL 84 Ca 0.27 -0.78 -0.20 0.00 0.00 0.00 0.00 61.98 61.27 2joe s VAL 84 Cb -0.14 -4.24 0.07 0.00 0.00 0.00 0.00 36.38 32.08 2joe s VAL 84 CO 0.18 -0.73 0.72 -0.89 0.00 0.00 0.00 175.10 174.38 2joe s THR 85 N 2.20 4.74 -0.38 3.92 2.01 -0.13 0.23 115.64 128.24 2joe s THR 85 Ca 0.10 -0.56 -0.14 0.00 0.31 0.00 0.00 61.69 61.40 2joe s THR 85 Cb -0.22 -4.43 0.00 0.00 0.01 0.00 0.00 72.50 67.87 2joe s THR 85 CO 0.09 -1.02 0.27 -0.63 -0.69 0.00 0.00 174.62 172.65 2joe s ILE 86 N 2.95 5.25 -0.35 1.82 1.01 0.72 -0.10 121.20 132.49 2joe s ILE 86 Ca 0.16 -0.46 -0.29 0.00 0.00 0.00 0.00 60.65 60.06 2joe s ILE 86 Cb -0.20 -3.82 0.02 0.00 0.01 0.00 0.00 42.46 38.47 2joe s ILE 86 CO 0.11 -0.17 1.13 -0.62 0.00 0.00 0.00 174.94 175.38 2joe s ASP 87 N 1.70 6.83 -0.03 3.58 -1.08 -0.79 -0.11 116.67 126.76 2joe s ASP 87 Ca 0.05 0.95 0.09 0.00 -0.52 0.00 0.00 52.55 53.12 2joe s ASP 87 Cb -0.18 -2.54 0.31 0.00 -1.46 0.00 0.00 42.92 39.05 2joe s ASP 87 CO 0.10 -0.99 1.20 0.23 0.52 0.00 0.00 175.17 176.23 2joe n MET 88 N 7.15 2.01 -0.08 4.34 2.81 0.75 -2.90 117.12 131.21 2joe n MET 88 Ca 0.12 -1.25 -0.21 0.00 -1.81 0.00 0.00 57.70 54.55 2joe n MET 88 Cb 0.47 -1.40 -0.13 0.00 -0.71 0.00 0.00 33.22 31.46 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 0.43 0.68 -0.00 0.03 1.02 -1.25 -4.38 120.64 117.16 2joe n GLU 89 Ca 0.11 0.24 0.13 0.00 -0.02 0.00 0.00 57.16 57.63 2joe n GLU 89 Cb 0.38 -1.61 0.29 0.00 -0.02 0.00 0.00 31.44 30.48 2joe n GLU 89 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2joe n LYS 90 N -3.55 2.03 -1.57 3.49 4.81 -1.23 -4.98 118.16 117.15 2joe n LYS 90 Ca -0.40 -1.50 -0.45 0.00 -0.87 0.00 0.00 58.31 55.09 2joe n LYS 90 Cb 0.98 -1.47 -0.02 0.00 0.02 0.00 0.00 35.03 34.54 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 0.82 1.90 -3.88 3.15 0.24 -1.14 -4.57 118.33 114.84 2joe n VAL 91 Ca 0.16 -0.48 -0.33 0.00 -2.04 0.00 0.00 64.34 61.65 2joe n VAL 91 Cb 0.49 -0.88 -0.13 0.00 -1.47 0.00 0.00 33.84 31.85 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 -0.56 4.93 0.31 -1.34 2.15 -1.25 -4.99 116.67 115.93 2joe s ASP 92 Ca 0.60 -2.36 -0.01 0.00 0.43 0.00 0.00 52.55 51.22 2joe s ASP 92 Cb -0.74 -1.73 0.49 0.00 -0.30 0.00 0.00 42.92 40.64 2joe s ASP 92 CO 0.59 -0.41 1.98 -0.26 -0.17 0.00 0.00 175.17 176.89 2joe h PHE 93 N 7.49 0.97 0.00 -5.34 -1.00 -1.93 -1.04 116.94 116.08 2joe h PHE 93 Ca -0.07 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.69 2joe h PHE 93 Cb 1.00 -0.33 -0.01 0.00 3.61 0.00 0.00 35.95 40.23 2joe h PHE 93 CO 0.54 0.62 -0.18 1.57 -1.61 0.00 0.00 178.31 179.24 2joe h LYS 94 N 1.04 0.00 0.20 1.51 2.10 -2.00 0.89 116.57 120.31 2joe h LYS 94 Ca 0.28 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.59 2joe h LYS 94 Cb -0.11 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.24 2joe h LYS 94 CO -0.06 0.18 -1.59 0.00 -2.00 0.00 0.00 179.45 175.98 2joe h ALA 95 N 1.82 0.05 0.00 0.07 0.00 -1.67 -3.30 119.26 116.22 2joe h ALA 95 Ca -0.00 -1.02 -0.03 0.00 0.00 0.00 0.00 54.91 53.86 2joe h ALA 95 Cb 0.36 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2joe h ALA 95 CO 0.02 0.91 -0.17 1.25 0.00 0.00 0.00 179.25 181.27 2joe h LEU 96 N 0.12 0.00 -2.14 0.00 6.46 -0.76 -2.66 115.31 116.33 2joe h LEU 96 Ca -0.29 0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.51 2joe h LEU 96 Cb 2.11 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 42.04 2joe h LEU 96 CO 0.22 0.17 0.10 -0.61 -0.62 0.00 0.00 178.44 177.69 2joe h GLN 97 N 0.00 0.00 0.00 1.25 5.75 -0.92 0.47 115.11 121.67 2joe h GLN 97 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2joe h GLN 97 Cb 0.56 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.11 2joe h GLN 97 CO 0.02 0.00 0.00 0.41 -2.65 0.00 0.00 178.83 176.61 2joe n GLY 98 N -1.49 -0.93 0.16 2.39 0.00 -1.00 -2.85 105.19 101.47 2joe n GLY 98 Ca -0.00 -0.18 0.02 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.00 0.60 -2.26 -0.61 5.41 0.11 -5.02 119.36 116.60 2joe n ILE 99 Ca 0.22 -0.68 -0.33 0.00 1.00 0.00 0.00 62.75 62.96 2joe n ILE 99 Cb 0.10 0.50 -0.04 0.00 -0.71 0.00 0.00 39.64 39.49 2joe n ILE 99 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2joe s SER 100 N -1.08 5.70 -0.30 4.38 1.04 -0.93 -4.76 113.70 117.74 2joe s SER 100 Ca 0.07 -0.88 0.07 0.00 0.48 0.00 0.00 55.95 55.68 2joe s SER 100 Cb 0.06 -2.56 0.61 0.00 0.10 0.00 0.00 66.02 64.23 2joe s SER 100 CO 0.01 -2.22 1.67 0.61 0.98 0.00 0.00 173.24 174.29 2joe n GLY 101 N 6.72 3.52 3.57 7.32 0.00 -1.26 -4.85 105.19 120.21 2joe n GLY 101 Ca 0.34 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.64 3.96 -0.21 -0.61 1.01 -1.26 -4.80 121.20 116.66 2joe s ILE 102 Ca 0.47 -1.12 0.01 0.00 0.00 0.00 0.00 60.65 60.02 2joe s ILE 102 Cb 0.38 -5.07 0.28 0.00 0.01 0.00 0.00 42.46 38.06 2joe s ILE 102 CO 0.11 -1.93 1.47 -3.20 0.00 0.00 0.00 174.94 171.39 2joe n ASN 103 N 8.95 3.69 -0.01 3.58 2.85 -1.26 -3.30 115.26 129.76 2joe n ASN 103 Ca 0.38 -2.73 -0.01 0.00 -0.11 0.00 0.00 54.58 52.11 2joe n ASN 103 Cb 0.49 -0.70 -0.00 0.00 1.24 0.00 0.00 39.78 40.81 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 -0.14 0.29 -3.31 3.44 0.31 -1.26 -4.99 118.33 112.67 2joe n VAL 104 Ca 0.26 0.34 -0.11 0.00 -0.01 0.00 0.00 64.34 64.82 2joe n VAL 104 Cb 0.96 -1.53 -0.06 0.00 -0.91 0.00 0.00 33.84 32.30 2joe n VAL 104 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2joe s SER 105 N -4.59 0.37 0.48 4.52 0.01 -1.25 -5.00 113.70 108.22 2joe s SER 105 Ca -0.04 -1.13 0.24 0.00 1.31 0.00 0.00 55.95 56.32 2joe s SER 105 Cb 0.01 1.01 1.19 0.00 0.21 0.00 0.00 66.02 68.44 2joe s SER 105 CO 0.06 -0.26 1.97 0.00 0.41 0.00 0.00 173.24 175.42 2joe h ALA 106 N 7.29 1.24 0.00 1.44 0.00 -1.93 -2.02 119.26 125.27 2joe h ALA 106 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2joe h ALA 106 Cb 1.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2joe h ALA 106 CO 0.19 0.24 0.00 0.39 0.00 0.00 0.00 179.25 180.07 2joe n GLU 107 N -3.66 0.17 -0.09 0.00 4.71 -1.26 -2.49 120.64 118.03 2joe n GLU 107 Ca -0.01 0.51 -0.14 0.00 -0.01 0.00 0.00 57.16 57.51 2joe n GLU 107 Cb 0.31 -1.90 -0.05 0.00 -1.01 0.00 0.00 31.44 28.80 2joe n GLU 107 CO 0.00 0.00 0.00 0.22 0.09 0.00 0.00 177.13 177.44 2joe h ASP 108 N 0.00 0.80 0.58 1.62 3.58 -1.79 -0.91 116.42 120.30 2joe h ASP 108 Ca 0.00 -0.50 -0.07 0.00 0.42 0.00 0.00 57.03 56.88 2joe h ASP 108 Cb 0.22 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 2joe h ASP 108 CO 0.00 1.14 -0.36 0.00 -2.88 0.00 0.00 179.24 177.15 2joe h ALA 109 N 0.68 1.18 0.00 -0.78 0.00 -1.66 -0.18 119.26 118.49 2joe h ALA 109 Ca 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2joe h ALA 109 Cb 0.95 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2joe h ALA 109 CO 0.09 0.45 0.00 0.87 0.00 0.00 0.00 179.25 180.65 2joe h LYS 110 N 0.00 0.00 0.06 0.00 1.57 -1.42 -3.21 116.57 113.57 2joe h LYS 110 Ca -0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 2joe h LYS 110 Cb 0.74 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.01 2joe h LYS 110 CO 0.05 0.00 -1.93 1.17 -0.57 0.00 0.00 179.45 178.17 2joe n LYS 111 N -2.76 0.70 0.00 3.15 4.81 -0.37 -5.05 118.16 118.63 2joe n LYS 111 Ca 0.04 0.25 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 2joe n LYS 111 Cb 0.42 -1.72 0.00 0.00 0.02 0.00 0.00 35.03 33.75 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 1.81 2.62 3.60 3.14 0.00 -0.17 -5.05 105.19 111.14 2joe n GLY 112 Ca -0.27 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 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 -4.90 121.20 117.06 2joe s ILE 113 Ca 0.00 0.27 0.03 0.00 -2.23 0.00 0.00 60.65 58.72 2joe s ILE 113 Cb 0.00 -3.36 -0.01 0.00 -1.58 0.00 0.00 42.46 37.51 2joe s ILE 113 CO 0.00 -0.23 0.11 0.42 -1.23 0.00 0.00 174.94 174.02 2joe s THR 114 N 7.51 0.62 0.07 2.92 -4.23 -1.26 -4.49 115.64 116.78 2joe s THR 114 Ca 0.89 -2.00 -0.34 0.00 -1.18 0.00 0.00 61.69 59.06 2joe s THR 114 Cb -0.27 -2.22 -0.19 0.00 1.34 0.00 0.00 72.50 71.16 2joe s THR 114 CO 0.34 0.00 1.61 -0.03 -0.54 0.00 0.00 174.62 176.00 2joe h MET 115 N 1.62 -0.97 -0.23 3.99 4.05 -1.80 -1.89 114.93 119.70 2joe h MET 115 Ca -0.36 0.07 -0.02 0.00 -0.28 0.00 0.00 59.70 59.11 2joe h MET 115 Cb 1.29 0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 32.30 2joe h MET 115 CO 0.58 -0.65 0.06 0.00 0.23 0.00 0.00 176.91 177.13 2joe h ALA 116 N -0.76 1.69 0.48 0.39 0.00 -1.98 -1.25 119.26 117.84 2joe h ALA 116 Ca -0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2joe h ALA 116 Cb 0.80 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2joe h ALA 116 CO 0.13 0.24 -0.26 1.96 0.00 0.00 0.00 179.25 181.32 2joe h GLN 117 N 0.32 -0.66 -1.01 0.00 7.50 -1.85 0.25 115.11 119.66 2joe h GLN 117 Ca 0.08 0.05 0.23 0.00 0.50 0.00 0.00 58.65 59.51 2joe h GLN 117 Cb 0.12 0.15 -0.10 0.00 0.05 0.00 0.00 27.48 27.70 2joe h GLN 117 CO -0.00 -0.44 0.63 0.52 -1.50 0.00 0.00 178.83 178.03 2joe h MET 118 N -0.69 0.52 0.44 1.46 2.86 -1.12 0.32 114.93 118.72 2joe h MET 118 Ca -0.07 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 2joe h MET 118 Cb 0.54 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.08 2joe h MET 118 CO 0.09 0.35 -0.21 1.49 1.06 0.00 0.00 176.91 179.69 2joe h GLU 119 N 0.54 -0.56 -0.58 1.72 4.22 -1.00 -0.99 114.58 117.92 2joe h GLU 119 Ca 0.59 0.04 -0.07 0.00 0.08 0.00 0.00 59.36 59.99 2joe h GLU 119 Cb 1.24 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.59 2joe h GLU 119 CO -0.34 -0.38 0.09 1.25 -2.18 0.00 0.00 179.01 177.45 2joe h LEU 120 N -0.74 0.92 -0.81 1.64 6.46 -0.68 -1.55 115.31 120.55 2joe h LEU 120 Ca -0.06 -0.26 -0.10 0.00 -0.12 0.00 0.00 57.88 57.34 2joe h LEU 120 Cb 0.45 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.12 2joe h LEU 120 CO 0.10 0.95 -0.14 0.58 -0.62 0.00 0.00 178.44 179.32 2joe h VAL 121 N 0.86 1.26 0.00 1.05 2.07 -0.46 0.96 116.25 121.98 2joe h VAL 121 Ca 0.17 -1.19 -0.16 0.00 0.82 0.00 0.00 66.70 66.34 2joe h VAL 121 Cb 0.43 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 2joe h VAL 121 CO 0.01 0.40 -0.78 0.24 0.02 0.00 0.00 177.57 177.47 2joe h MET 122 N 0.68 0.00 -0.68 1.57 2.86 -1.04 -2.64 114.93 115.67 2joe h MET 122 Ca 0.11 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.69 2joe h MET 122 Cb 0.61 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.24 2joe h MET 122 CO 0.04 0.78 0.19 -0.22 1.06 0.00 0.00 176.91 178.75 2joe h LYS 123 N 0.00 1.07 -0.95 1.72 3.11 -0.84 -2.96 116.57 117.72 2joe h LYS 123 Ca -0.01 -0.24 0.02 0.00 -2.81 0.00 0.00 60.65 57.61 2joe h LYS 123 Cb 1.44 -0.15 -0.05 0.00 -1.00 0.00 0.00 32.23 32.47 2joe h LYS 123 CO 0.10 0.93 0.63 0.00 -2.81 0.00 0.00 179.45 178.30 2joe h ALA 124 N 1.18 1.34 0.00 5.00 0.00 -0.47 -1.10 119.26 125.20 2joe h ALA 124 Ca 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2joe h ALA 124 Cb 0.33 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2joe h ALA 124 CO -0.00 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.85 2joe h ALA 125 N 1.42 1.00 0.00 0.00 0.00 -1.37 -3.47 119.26 116.85 2joe h ALA 125 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2joe h ALA 125 Cb -0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2joe h ALA 125 CO -0.09 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.57 2joe n GLY 126 N 0.36 0.51 3.86 0.00 0.00 -0.42 -5.05 105.19 104.46 2joe n GLY 126 Ca 0.02 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 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 3.56 -0.18 1.61 0.08 -1.13 -5.03 117.98 114.89 2joe s PHE 127 Ca 0.00 1.32 -0.19 0.00 0.12 0.00 0.00 56.93 58.18 2joe s PHE 127 Cb 0.00 -2.74 -0.03 0.00 -0.57 0.00 0.00 43.02 39.67 2joe s PHE 127 CO 0.00 -0.70 0.55 0.15 -0.10 0.00 0.00 175.22 175.12 2joe s LYS 128 N -5.03 4.22 0.10 0.44 -0.14 -1.21 -4.83 119.74 113.29 2joe s LYS 128 Ca 0.56 0.49 -0.30 0.00 -1.36 0.00 0.00 55.97 55.36 2joe s LYS 128 Cb -0.11 -3.55 -0.06 0.00 -1.68 0.00 0.00 37.83 32.43 2joe s LYS 128 CO 0.51 -0.13 1.01 -2.00 -0.76 0.00 0.00 175.35 173.98 2joe s GLU 129 N 1.57 4.63 -0.26 1.68 2.12 -1.26 -1.00 118.70 126.17 2joe s GLU 129 Ca 0.26 1.52 0.00 0.00 0.36 0.00 0.00 54.97 57.12 2joe s GLU 129 Cb -0.16 -3.37 0.05 0.00 0.26 0.00 0.00 34.13 30.91 2joe s GLU 129 CO 0.10 0.10 -0.08 0.08 -0.54 0.00 0.00 175.26 174.92 2joe s VAL 130 N 0.22 2.53 -0.27 3.70 1.01 0.98 -4.92 120.40 123.65 2joe s VAL 130 Ca 0.49 -1.36 -0.12 0.00 0.00 0.00 0.00 61.98 61.00 2joe s VAL 130 Cb -0.25 -2.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 2joe s VAL 130 CO 0.30 0.06 0.22 -1.59 0.00 0.00 0.00 175.10 174.10 2joe s LYS 131 N 1.21 3.97 0.00 2.72 -2.85 -1.26 -2.64 119.74 120.90 2joe s LYS 131 Ca -0.04 -0.24 0.26 0.00 -1.00 0.00 0.00 55.97 54.94 2joe s LYS 131 Cb -0.18 -3.65 0.65 0.00 -2.06 0.00 0.00 37.83 32.58 2joe s LYS 131 CO -0.05 -0.18 1.50 1.28 0.10 0.00 0.00 175.35 178.00 2joe n LEU 132 N 5.05 1.48 -4.52 2.77 4.32 -1.26 -4.72 117.00 120.12 2joe n LEU 132 Ca -0.13 -0.47 -0.42 0.00 -0.02 0.00 0.00 56.01 54.97 2joe n LEU 132 Cb 0.52 -0.06 -0.03 0.00 -1.62 0.00 0.00 43.42 42.22 2joe n LEU 132 CO 0.34 0.26 1.11 -0.70 -1.22 0.00 0.00 177.39 177.19 2joe s GLU 133 N -2.34 3.30 -0.36 3.23 2.56 -1.26 -4.87 118.70 118.96 2joe s GLU 133 Ca 0.27 -0.74 0.07 0.00 0.00 0.00 0.00 54.97 54.57 2joe s GLU 133 Cb 0.20 -4.53 0.19 0.00 2.00 0.00 0.00 34.13 31.99 2joe s GLU 133 CO 0.47 -2.04 0.62 -1.58 -0.56 0.00 0.00 175.26 172.17 2joe s HIS 134 N 4.84 -1.76 0.42 5.30 2.46 -1.26 -5.16 115.29 120.13 2joe s HIS 134 Ca 0.34 0.60 0.00 0.00 0.47 0.00 0.00 55.06 56.47 2joe s HIS 134 Cb -0.08 0.31 0.00 0.00 -0.13 0.00 0.00 32.58 32.69 2joe s HIS 134 CO 0.06 -1.12 0.03 0.72 -2.47 0.00 0.00 174.74 171.96 2joe n HIS 135 N 4.83 0.80 -2.50 3.88 8.25 -1.26 -5.07 115.22 124.15 2joe n HIS 135 Ca 0.08 -2.05 -0.41 0.00 -0.26 0.00 0.00 57.72 55.08 2joe n HIS 135 Cb 0.56 -0.29 -0.03 0.00 1.12 0.00 0.00 29.99 31.35 2joe n HIS 135 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2joe s HIS 136 N -2.48 2.34 0.21 4.41 5.65 -1.26 -4.95 115.29 119.20 2joe s HIS 136 Ca 0.03 0.24 -0.03 0.00 0.25 0.00 0.00 55.06 55.55 2joe s HIS 136 Cb -0.00 -4.52 -0.03 0.00 -1.18 0.00 0.00 32.58 26.85 2joe s HIS 136 CO 0.02 -1.93 0.20 -1.01 -0.65 0.00 0.00 174.74 171.37 2joe s HIS 137 N 5.77 1.02 0.15 3.88 4.02 -1.26 -5.17 115.29 123.70 2joe s HIS 137 Ca 0.43 -1.26 0.06 0.00 1.02 0.00 0.00 55.06 55.30 2joe s HIS 137 Cb -0.09 -0.42 -0.04 0.00 -1.02 0.00 0.00 32.58 31.01 2joe s HIS 137 CO 0.20 -0.71 0.06 -1.01 1.02 0.00 0.00 174.74 174.30 2joe s HIS 138 N -4.12 3.01 -2.75 1.40 3.76 -1.26 -5.27 115.29 110.07 2joe s HIS 138 Ca 0.36 -0.06 0.26 0.00 -0.15 0.00 0.00 55.06 55.47 2joe s HIS 138 Cb 0.05 -1.47 0.63 0.00 1.11 0.00 0.00 32.58 32.90 2joe s HIS 138 CO 0.12 0.51 1.51 -2.39 -0.85 0.00 0.00 174.74 173.64