#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 2.79 3.80 3.03 0.00 -1.26 -5.01 105.19 108.54 2joe n GLY 2 Ca 0.00 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 2joe n GLY 2 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2joe s ASP 3 N 0.00 6.04 -1.06 1.61 -4.77 -1.26 -4.97 116.67 112.27 2joe s ASP 3 Ca 0.00 1.83 -0.18 0.00 -3.30 0.00 0.00 52.55 50.91 2joe s ASP 3 Cb 0.00 -2.54 0.13 0.00 -1.09 0.00 0.00 42.92 39.42 2joe s ASP 3 CO 0.00 -0.99 1.32 -0.54 0.70 0.00 0.00 175.17 175.66 2joe s LYS 4 N -3.79 3.79 -0.44 2.11 1.02 -1.26 -4.96 119.74 116.21 2joe s LYS 4 Ca 0.64 -1.95 -0.24 0.00 0.02 0.00 0.00 55.97 54.44 2joe s LYS 4 Cb -0.16 -5.08 0.02 0.00 -0.52 0.00 0.00 37.83 32.10 2joe s LYS 4 CO 0.31 -1.88 0.86 -1.21 -0.92 0.00 0.00 175.35 172.51 2joe s GLU 5 N 2.80 3.53 -0.23 1.68 0.41 -1.26 -4.51 118.70 121.12 2joe s GLU 5 Ca 0.40 0.11 -0.12 0.00 -0.41 0.00 0.00 54.97 54.94 2joe s GLU 5 Cb -0.03 -3.91 -0.05 0.00 -1.78 0.00 0.00 34.13 28.36 2joe s GLU 5 CO -0.05 -1.13 0.23 -1.21 -0.49 0.00 0.00 175.26 172.61 2joe s GLU 6 N 3.51 4.10 -0.12 1.61 2.02 0.18 -4.93 118.70 125.07 2joe s GLU 6 Ca 0.34 -0.13 -0.06 0.00 0.02 0.00 0.00 54.97 55.14 2joe s GLU 6 Cb -0.11 -3.54 -0.04 0.00 0.10 0.00 0.00 34.13 30.54 2joe s GLU 6 CO 0.24 0.03 0.12 -1.54 0.02 0.00 0.00 175.26 174.13 2joe s SER 7 N 1.04 6.18 -0.17 -0.19 1.04 -1.26 -0.82 113.70 119.52 2joe s SER 7 Ca 0.11 0.39 -0.03 0.00 0.48 0.00 0.00 55.95 56.90 2joe s SER 7 Cb -0.14 -1.98 0.06 0.00 0.10 0.00 0.00 66.02 64.06 2joe s SER 7 CO 0.05 0.38 0.05 -0.54 0.98 0.00 0.00 173.24 174.16 2joe s LYS 8 N -0.87 0.49 -0.27 4.02 -0.14 -0.75 -4.60 119.74 117.62 2joe s LYS 8 Ca 0.14 -0.27 -0.05 0.00 -1.36 0.00 0.00 55.97 54.42 2joe s LYS 8 Cb -0.12 -1.90 0.01 0.00 -1.68 0.00 0.00 37.83 34.14 2joe s LYS 8 CO 0.03 -0.61 0.04 0.21 -0.76 0.00 0.00 175.35 174.26 2joe s LYS 9 N 1.94 3.09 0.34 1.68 2.20 -1.26 -1.01 119.74 126.73 2joe s LYS 9 Ca 0.00 -0.84 0.09 0.00 -0.36 0.00 0.00 55.97 54.86 2joe s LYS 9 Cb -0.16 -3.24 -0.05 0.00 -1.51 0.00 0.00 37.83 32.86 2joe s LYS 9 CO -0.08 -0.39 0.02 -0.59 -0.36 0.00 0.00 175.35 173.94 2joe s PHE 10 N 1.46 2.55 -0.25 4.03 -0.12 0.32 -0.09 117.98 125.88 2joe s PHE 10 Ca 0.03 -0.44 -0.08 0.00 -0.05 0.00 0.00 56.93 56.38 2joe s PHE 10 Cb -0.17 -1.51 0.12 0.00 -0.63 0.00 0.00 43.02 40.83 2joe s PHE 10 CO 0.00 0.47 0.54 0.45 -0.05 0.00 0.00 175.22 176.63 2joe s SER 11 N -3.72 -0.74 -0.34 1.98 0.15 -0.17 -0.24 113.70 110.62 2joe s SER 11 Ca 0.35 1.26 -0.07 0.00 0.70 0.00 0.00 55.95 58.18 2joe s SER 11 Cb 0.00 1.86 0.03 0.00 -1.71 0.00 0.00 66.02 66.21 2joe s SER 11 CO 0.19 -0.23 0.13 0.00 1.20 0.00 0.00 173.24 174.53 2joe s ALA 12 N 2.77 3.10 -0.96 5.45 0.00 0.11 -4.41 121.76 127.81 2joe s ALA 12 Ca -0.02 -1.72 -0.18 0.00 0.00 0.00 0.00 51.96 50.03 2joe s ALA 12 Cb -0.12 -2.34 0.13 0.00 0.00 0.00 0.00 23.12 20.79 2joe s ALA 12 CO -0.16 -1.32 1.17 -0.80 0.00 0.00 0.00 175.76 174.64 2joe s ASN 13 N 1.44 6.67 0.04 0.00 -0.87 -1.26 -1.81 114.94 119.15 2joe s ASN 13 Ca -0.01 -2.12 0.03 0.00 -1.57 0.00 0.00 52.86 49.19 2joe s ASN 13 Cb -0.19 -2.40 -0.02 0.00 -0.02 0.00 0.00 41.25 38.61 2joe s ASN 13 CO 0.04 -1.04 -0.09 -1.48 -2.57 0.00 0.00 177.10 171.95 2joe s LEU 14 N 2.63 2.19 0.00 0.60 0.05 -0.92 -4.82 118.68 118.42 2joe s LEU 14 Ca 0.34 -0.45 0.00 0.00 0.05 0.00 0.00 54.13 54.07 2joe s LEU 14 Cb -0.04 -0.30 0.00 0.00 -2.05 0.00 0.00 46.19 43.79 2joe s LEU 14 CO -0.09 -0.09 0.00 -3.20 -0.55 0.00 0.00 176.35 172.42 2joe n ASN 15 N 1.81 0.00 0.00 1.48 5.15 -1.26 -0.20 115.26 122.24 2joe n ASN 15 Ca -0.20 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.78 2joe n ASN 15 Cb 0.55 -0.47 0.00 0.00 -0.53 0.00 0.00 39.78 39.34 2joe n ASN 15 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2joe n GLY 16 N -1.82 1.07 3.23 8.20 0.00 -1.26 -4.78 105.19 109.83 2joe n GLY 16 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 2.72 -0.70 2.61 -4.23 0.72 -1.79 115.64 112.97 2joe s THR 17 Ca 0.00 -0.72 -0.22 0.00 -1.18 0.00 0.00 61.69 59.57 2joe s THR 17 Cb 0.00 -2.19 0.08 0.00 1.34 0.00 0.00 72.50 71.73 2joe s THR 17 CO 0.00 0.49 0.99 -1.61 -0.54 0.00 0.00 174.62 173.94 2joe s GLU 18 N 1.24 3.18 -0.82 3.99 2.02 0.10 -2.17 118.70 126.24 2joe s GLU 18 Ca 0.03 -0.97 -0.18 0.00 0.02 0.00 0.00 54.97 53.86 2joe s GLU 18 Cb -0.14 -4.34 0.14 0.00 0.10 0.00 0.00 34.13 29.89 2joe s GLU 18 CO -0.06 -1.81 0.96 0.42 0.02 0.00 0.00 175.26 174.79 2joe s ILE 19 N 3.86 4.88 -0.31 -1.63 1.01 -0.75 -0.47 121.20 127.80 2joe s ILE 19 Ca 0.23 -1.54 -0.10 0.00 0.00 0.00 0.00 60.65 59.24 2joe s ILE 19 Cb -0.15 -4.66 -0.01 0.00 0.01 0.00 0.00 42.46 37.65 2joe s ILE 19 CO 0.07 -1.34 0.17 0.00 0.00 0.00 0.00 174.94 173.84 2joe s ALA 20 N 2.31 3.32 -0.14 9.38 0.00 -0.92 -0.71 121.76 134.99 2joe s ALA 20 Ca 0.25 -1.38 0.02 0.00 0.00 0.00 0.00 51.96 50.85 2joe s ALA 20 Cb -0.10 -2.42 0.00 0.00 0.00 0.00 0.00 23.12 20.60 2joe s ALA 20 CO -0.05 -0.90 -0.19 0.42 0.00 0.00 0.00 175.76 175.04 2joe s ILE 21 N 1.63 2.34 -0.45 0.00 1.01 0.66 -1.44 121.20 124.96 2joe s ILE 21 Ca 0.05 -0.89 -0.00 0.00 0.00 0.00 0.00 60.65 59.81 2joe s ILE 21 Cb -0.17 -1.95 0.12 0.00 0.01 0.00 0.00 42.46 40.47 2joe s ILE 21 CO 0.07 0.54 0.22 -0.89 0.00 0.00 0.00 174.94 174.88 2joe s THR 22 N 0.70 3.03 -0.12 2.92 2.01 0.67 -0.52 115.64 124.33 2joe s THR 22 Ca -0.09 -2.50 -0.18 0.00 0.31 0.00 0.00 61.69 59.24 2joe s THR 22 Cb -0.16 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 2joe s THR 22 CO 0.01 -0.72 0.45 -0.72 -0.69 0.00 0.00 174.62 172.95 2joe s TYR 23 N 0.62 3.51 -0.21 4.92 1.13 -0.18 -0.91 117.35 126.24 2joe s TYR 23 Ca 0.12 0.86 -0.08 0.00 -1.41 0.00 0.00 57.07 56.55 2joe s TYR 23 Cb -0.22 -2.52 -0.04 0.00 -1.10 0.00 0.00 41.96 38.08 2joe s TYR 23 CO -0.04 0.19 0.09 0.08 -2.51 0.00 0.00 175.55 173.36 2joe s VAL 24 N 0.55 4.89 0.10 -3.49 1.01 0.62 -1.81 120.40 122.27 2joe s VAL 24 Ca 0.25 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.27 2joe s VAL 24 Cb -0.15 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2joe s VAL 24 CO 0.10 0.40 -0.10 -0.72 0.00 0.00 0.00 175.10 174.78 2joe s TYR 25 N 0.80 1.08 -0.38 5.22 1.13 0.00 -1.38 117.35 123.82 2joe s TYR 25 Ca 0.05 -0.68 0.02 0.00 -1.41 0.00 0.00 57.07 55.05 2joe s TYR 25 Cb -0.13 -0.59 0.11 0.00 -1.10 0.00 0.00 41.96 40.25 2joe s TYR 25 CO 0.02 0.00 0.11 0.15 -2.51 0.00 0.00 175.55 173.33 2joe s LYS 26 N -2.98 1.68 7.23 -3.49 1.02 0.96 -0.64 119.74 123.51 2joe s LYS 26 Ca 0.07 -1.93 0.00 0.00 0.02 0.00 0.00 55.97 54.13 2joe s LYS 26 Cb -0.02 -3.33 0.00 0.00 -0.52 0.00 0.00 37.83 33.97 2joe s LYS 26 CO -0.00 -0.99 0.00 0.41 -0.92 0.00 0.00 175.35 173.85 2joe n GLY 27 N 4.24 2.29 0.74 -3.33 0.00 -1.26 -2.06 105.19 105.81 2joe n GLY 27 Ca 0.03 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.91 2joe n GLY 27 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2joe n ASP 28 N 9.56 2.52 -4.36 1.61 2.03 -1.26 -4.78 116.55 121.88 2joe n ASP 28 Ca 0.00 -1.77 -0.45 0.00 0.52 0.00 0.00 54.79 53.09 2joe n ASP 28 Cb 0.00 0.20 -0.06 0.00 -0.72 0.00 0.00 41.12 40.54 2joe n ASP 28 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2joe s LYS 29 N -2.21 3.01 -0.31 -0.67 2.20 -0.87 -0.32 119.74 120.57 2joe s LYS 29 Ca 0.24 -1.45 -0.29 0.00 -0.36 0.00 0.00 55.97 54.11 2joe s LYS 29 Cb 0.19 -4.23 0.01 0.00 -1.51 0.00 0.00 37.83 32.29 2joe s LYS 29 CO 0.42 -1.28 1.16 0.08 -0.36 0.00 0.00 175.35 175.37 2joe s VAL 30 N 1.94 4.36 -0.14 4.02 1.01 -1.26 -0.03 120.40 130.31 2joe s VAL 30 Ca 0.06 1.56 0.12 0.00 0.00 0.00 0.00 61.98 63.73 2joe s VAL 30 Cb -0.26 -4.31 -0.24 0.00 0.00 0.00 0.00 36.38 31.57 2joe s VAL 30 CO 0.06 -0.48 0.29 0.18 0.00 0.00 0.00 175.10 175.15 2joe n LEU 31 N 7.14 0.83 -3.60 3.92 4.77 -0.48 -4.69 117.00 124.89 2joe n LEU 31 Ca 0.13 0.16 -0.10 0.00 -0.03 0.00 0.00 56.01 56.17 2joe n LEU 31 Cb 0.47 0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.65 2joe n LEU 31 CO 0.61 0.53 0.45 -1.59 -1.33 0.00 0.00 177.39 176.06 2joe s LYS 32 N -2.54 1.45 -0.18 3.23 -2.85 -1.04 -0.06 119.74 117.75 2joe s LYS 32 Ca -0.11 -0.66 -0.04 0.00 -1.00 0.00 0.00 55.97 54.15 2joe s LYS 32 Cb 0.07 0.58 0.08 0.00 -2.06 0.00 0.00 37.83 36.50 2joe s LYS 32 CO 0.80 -0.65 0.20 -1.14 0.10 0.00 0.00 175.35 174.66 2joe s GLN 33 N -3.77 0.15 -0.67 1.78 0.74 0.65 -0.28 119.66 118.26 2joe s GLN 33 Ca 0.05 0.25 -0.24 0.00 0.05 0.00 0.00 55.36 55.48 2joe s GLN 33 Cb -0.03 -1.08 0.06 0.00 1.10 0.00 0.00 33.01 33.06 2joe s GLN 33 CO -0.05 -0.58 1.05 -1.12 -0.55 0.00 0.00 175.29 174.04 2joe s SER 34 N 2.30 6.18 -0.39 6.67 0.01 -0.08 -0.98 113.70 127.41 2joe s SER 34 Ca 0.05 -0.79 -0.05 0.00 1.31 0.00 0.00 55.95 56.47 2joe s SER 34 Cb -0.15 -2.46 0.08 0.00 0.21 0.00 0.00 66.02 63.70 2joe s SER 34 CO -0.11 -1.54 0.18 -0.44 0.41 0.00 0.00 173.24 171.75 2joe s SER 35 N 3.64 5.35 -0.35 2.44 0.01 0.98 -0.24 113.70 125.53 2joe s SER 35 Ca 0.26 -1.62 -0.06 0.00 1.31 0.00 0.00 55.95 55.84 2joe s SER 35 Cb -0.14 -1.87 0.05 0.00 0.21 0.00 0.00 66.02 64.27 2joe s SER 35 CO 0.12 -0.48 0.13 -0.70 0.41 0.00 0.00 173.24 172.72 2joe s GLU 36 N 1.29 2.53 -0.34 12.44 2.12 -0.52 0.19 118.70 136.41 2joe s GLU 36 Ca 0.03 -1.30 -0.19 0.00 0.36 0.00 0.00 54.97 53.87 2joe s GLU 36 Cb -0.22 -3.49 -0.00 0.00 0.26 0.00 0.00 34.13 30.68 2joe s GLU 36 CO -0.01 -0.75 0.55 0.99 -0.54 0.00 0.00 175.26 175.50 2joe s THR 37 N 1.36 4.99 -0.42 -1.70 2.01 -0.18 -2.17 115.64 119.52 2joe s THR 37 Ca -0.00 0.47 -0.17 0.00 0.31 0.00 0.00 61.69 62.29 2joe s THR 37 Cb -0.20 -3.98 0.02 0.00 0.01 0.00 0.00 72.50 68.35 2joe s THR 37 CO 0.01 -0.21 0.43 -0.75 -0.69 0.00 0.00 174.62 173.41 2joe s LYS 38 N 2.47 3.09 -0.26 4.92 2.20 0.39 -0.52 119.74 132.02 2joe s LYS 38 Ca 0.21 -0.77 -0.15 0.00 -0.36 0.00 0.00 55.97 54.89 2joe s LYS 38 Cb -0.15 -3.97 -0.04 0.00 -1.51 0.00 0.00 37.83 32.16 2joe s LYS 38 CO 0.13 -0.85 0.38 0.42 -0.36 0.00 0.00 175.35 175.08 2joe s ILE 39 N 2.11 5.17 0.45 5.43 1.09 0.95 0.00 121.20 136.41 2joe s ILE 39 Ca 0.12 0.59 -0.22 0.00 -1.10 0.00 0.00 60.65 60.03 2joe s ILE 39 Cb -0.17 -3.70 -0.08 0.00 -1.06 0.00 0.00 42.46 37.44 2joe s ILE 39 CO 0.13 0.16 1.08 -1.10 -0.10 0.00 0.00 174.94 175.12 2joe s GLN 40 N 2.02 3.87 0.48 2.79 -1.52 -0.74 -0.52 119.66 126.04 2joe s GLN 40 Ca 0.15 1.55 0.16 0.00 -1.95 0.00 0.00 55.36 55.27 2joe s GLN 40 Cb -0.16 -2.32 1.13 0.00 -0.22 0.00 0.00 33.01 31.44 2joe s GLN 40 CO 0.10 -0.40 2.05 0.74 -0.25 0.00 0.00 175.29 177.52 2joe h PHE 41 N 1.98 0.00 0.00 0.91 -1.00 -1.57 -0.47 116.94 116.79 2joe h PHE 41 Ca -0.49 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.29 2joe h PHE 41 Cb 1.23 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.79 2joe h PHE 41 CO 0.56 0.12 0.00 0.00 -1.61 0.00 0.00 178.31 177.38 2joe n ALA 42 N -2.50 2.12 0.05 2.45 0.00 -1.26 0.02 120.51 121.40 2joe n ALA 42 Ca -0.03 -0.02 -0.19 0.00 0.00 0.00 0.00 53.44 53.21 2joe n ALA 42 Cb 0.19 -1.44 -0.14 0.00 0.00 0.00 0.00 19.45 18.06 2joe n ALA 42 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2joe h SER 43 N 0.00 0.43 0.49 0.00 0.87 -1.38 -3.37 113.55 110.59 2joe h SER 43 Ca 0.00 -0.67 -0.28 0.00 -1.23 0.00 0.00 61.79 59.61 2joe h SER 43 Cb 0.57 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.35 2joe h SER 43 CO 0.00 1.57 -1.71 0.00 -0.53 0.00 0.00 176.83 176.16 2joe n ILE 44 N -3.46 1.52 -1.46 2.23 3.06 -0.97 -4.99 119.36 115.29 2joe n ILE 44 Ca -0.21 -0.78 0.00 0.00 -2.50 0.00 0.00 62.75 59.26 2joe n ILE 44 Cb 1.05 -0.95 0.00 0.00 0.54 0.00 0.00 39.64 40.28 2joe n ILE 44 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2joe n GLY 45 N 1.54 0.95 3.99 4.50 0.00 0.10 -5.08 105.19 111.18 2joe n GLY 45 Ca -0.17 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.28 4.02 0.02 4.61 0.00 -0.76 -5.04 121.76 122.34 2joe s ALA 46 Ca 0.00 -1.51 -0.01 0.00 0.00 0.00 0.00 51.96 50.44 2joe s ALA 46 Cb 0.00 -1.95 -0.00 0.00 0.00 0.00 0.00 23.12 21.17 2joe s ALA 46 CO 0.00 -0.81 -0.02 2.41 0.00 0.00 0.00 175.76 177.34 2joe n THR 47 N -2.35 0.46 -4.56 0.00 -1.04 -1.26 -4.80 114.28 100.73 2joe n THR 47 Ca 0.10 0.12 -0.31 0.00 -2.04 0.00 0.00 64.05 61.92 2joe n THR 47 Cb 0.60 -1.55 -0.07 0.00 -1.82 0.00 0.00 70.33 67.49 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 -2.03 1.47 0.28 12.58 -4.23 -1.26 -5.01 115.64 117.44 2joe s THR 48 Ca -0.02 -1.90 0.28 0.00 -1.18 0.00 0.00 61.69 58.87 2joe s THR 48 Cb 0.00 -2.37 0.30 0.00 1.34 0.00 0.00 72.50 71.77 2joe s THR 48 CO 0.02 0.00 1.99 0.11 -0.54 0.00 0.00 174.62 176.20 2joe h LYS 49 N 1.34 0.00 0.57 3.99 1.57 -1.98 -2.08 116.57 119.98 2joe h LYS 49 Ca -0.43 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.32 2joe h LYS 49 Cb 1.30 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.61 2joe h LYS 49 CO 0.73 0.13 -0.28 0.93 -0.57 0.00 0.00 179.45 180.39 2joe h GLU 50 N 0.00 -0.74 0.00 3.15 4.39 -1.99 0.39 114.58 119.78 2joe h GLU 50 Ca -0.00 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.75 2joe h GLU 50 Cb 0.49 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 2joe h GLU 50 CO 0.02 -0.47 0.00 0.38 -1.16 0.00 0.00 179.01 177.78 2joe h ASP 51 N -1.16 0.00 0.02 1.42 2.03 -1.96 -1.89 116.42 114.87 2joe h ASP 51 Ca -0.08 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.22 2joe h ASP 51 Cb 0.62 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.12 2joe h ASP 51 CO 0.13 0.00 -0.01 0.00 -1.03 0.00 0.00 179.24 178.33 2joe h ALA 52 N 2.27 -0.03 -0.31 4.15 0.00 -1.37 -3.31 119.26 120.66 2joe h ALA 52 Ca 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.54 2joe h ALA 52 Cb 0.54 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2joe h ALA 52 CO 0.00 -0.10 0.18 0.00 0.00 0.00 0.00 179.25 179.33 2joe h ALA 53 N 0.04 0.39 0.00 0.00 0.00 -0.63 -2.01 119.26 117.04 2joe h ALA 53 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2joe h ALA 53 Cb 0.76 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2joe h ALA 53 CO 0.00 -0.18 0.00 1.63 0.00 0.00 0.00 179.25 180.71 2joe n LYS 54 N -4.91 0.06 -0.09 0.00 5.02 -0.74 0.22 118.16 117.72 2joe n LYS 54 Ca -0.01 0.28 -0.14 0.00 -2.02 0.00 0.00 58.31 56.43 2joe n LYS 54 Cb 0.05 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.41 2joe n LYS 54 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2joe n THR 55 N -1.41 1.48 0.07 -0.18 -1.04 -0.80 -4.43 114.28 107.96 2joe n THR 55 Ca 0.03 -0.73 0.01 0.00 -2.04 0.00 0.00 64.05 61.32 2joe n THR 55 Cb 0.10 -0.96 -0.05 0.00 -1.82 0.00 0.00 70.33 67.59 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 -0.40 -4.42 3.38 -0.69 -3.38 115.31 109.80 2joe h LEU 56 Ca -0.52 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.53 2joe h LEU 56 Cb 2.08 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.74 2joe h LEU 56 CO -0.00 0.55 -0.32 -0.33 0.09 0.00 0.00 178.44 178.42 2joe h GLU 57 N 0.00 -0.24 0.00 1.13 4.39 -0.44 0.72 114.58 120.14 2joe h GLU 57 Ca -0.10 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.61 2joe h GLU 57 Cb 1.51 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.21 2joe h GLU 57 CO 0.05 -0.16 0.00 -1.00 -1.16 0.00 0.00 179.01 176.74 2joe h PRO 58 N -0.25 0.00 0.03 2.33 0.13 -1.82 -0.97 132.00 131.46 2joe h PRO 58 Ca 0.17 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.23 2joe h PRO 58 Cb 0.54 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.67 2joe h PRO 58 CO -0.54 0.00 -0.34 -0.07 -0.23 0.00 0.00 178.00 176.82 2joe h LEU 59 N 0.00 0.10 -1.64 1.56 3.38 -1.16 -3.27 115.31 114.28 2joe h LEU 59 Ca 0.00 -0.93 -0.04 0.00 0.09 0.00 0.00 57.88 57.00 2joe h LEU 59 Cb 0.34 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2joe h LEU 59 CO 0.00 1.15 -0.19 0.28 0.09 0.00 0.00 178.44 179.77 2joe h SER 60 N -0.86 0.00 0.00 -0.43 0.02 -0.87 -2.20 113.55 109.21 2joe h SER 60 Ca -0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2joe h SER 60 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2joe h SER 60 CO 0.01 0.19 0.00 0.00 -1.14 0.00 0.00 176.83 175.89 2joe n ALA 61 N -2.47 2.03 0.10 3.77 0.00 -0.38 -2.20 120.51 121.36 2joe n ALA 61 Ca -0.02 -0.07 -0.05 0.00 0.00 0.00 0.00 53.44 53.29 2joe n ALA 61 Cb 0.26 -1.19 0.03 0.00 0.00 0.00 0.00 19.45 18.56 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 0.07 0.16 0.00 1.57 -1.48 -3.35 116.57 113.54 2joe h LYS 62 Ca 0.00 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2joe h LYS 62 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2joe h LYS 62 CO 0.00 0.83 -0.08 1.88 -0.57 0.00 0.00 179.45 181.51 2joe h TYR 63 N 0.04 -0.20 0.00 -1.35 0.05 -1.67 -3.47 116.97 110.38 2joe h TYR 63 Ca -0.02 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.76 2joe h TYR 63 Cb 1.40 0.07 0.00 0.00 1.01 0.00 0.00 36.73 39.21 2joe h TYR 63 CO 0.01 0.12 0.00 1.63 -1.05 0.00 0.00 178.16 178.87 2joe n LYS 64 N -4.90 0.00 -2.76 4.88 5.02 -1.26 -2.59 118.16 116.55 2joe n LYS 64 Ca -0.06 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.22 2joe n LYS 64 Cb 0.21 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.30 2joe n LYS 64 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2joe n ASN 65 N 4.99 0.14 -0.31 4.39 5.15 -1.26 -4.92 115.26 123.45 2joe n ASN 65 Ca 0.00 -2.12 0.06 0.00 -0.60 0.00 0.00 54.58 51.92 2joe n ASN 65 Cb 0.00 0.07 0.21 0.00 -0.53 0.00 0.00 39.78 39.53 2joe n ASN 65 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 2joe h ILE 66 N 4.82 0.81 0.00 -1.44 2.04 -1.83 -3.47 117.51 118.44 2joe h ILE 66 Ca -0.28 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.32 2joe h ILE 66 Cb 1.28 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 2joe h ILE 66 CO 0.01 0.13 0.00 0.00 0.00 0.00 0.00 178.15 178.29 2joe n ALA 67 N -2.39 0.00 -0.63 1.87 0.00 -1.26 -4.51 120.51 113.58 2joe n ALA 67 Ca 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.55 2joe n ALA 67 Cb 0.38 0.00 -0.08 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 2.42 3.52 0.00 0.00 -1.26 -4.83 105.19 105.04 2joe n GLY 68 Ca 0.00 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 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 0.89 4.96 -0.37 1.61 -7.23 -1.24 -4.12 120.40 114.90 2joe s VAL 69 Ca 0.30 0.03 -0.10 0.00 -1.81 0.00 0.00 61.98 60.40 2joe s VAL 69 Cb 0.14 -4.09 0.04 0.00 0.56 0.00 0.00 36.38 33.03 2joe s VAL 69 CO 0.00 -0.44 0.19 -1.61 -0.31 0.00 0.00 175.10 172.93 2joe s GLU 70 N 2.48 2.74 -0.65 4.82 2.02 -0.28 -4.80 118.70 125.04 2joe s GLU 70 Ca 0.18 -1.15 -0.18 0.00 0.02 0.00 0.00 54.97 53.84 2joe s GLU 70 Cb -0.15 -3.67 0.12 0.00 0.10 0.00 0.00 34.13 30.53 2joe s GLU 70 CO 0.16 -0.72 0.75 -1.83 0.02 0.00 0.00 175.26 173.63 2joe s GLU 71 N 1.50 3.16 -0.46 1.61 1.03 -1.26 -0.60 118.70 123.68 2joe s GLU 71 Ca 0.01 -1.52 -0.14 0.00 0.03 0.00 0.00 54.97 53.35 2joe s GLU 71 Cb -0.20 -4.36 0.08 0.00 -0.80 0.00 0.00 34.13 28.86 2joe s GLU 71 CO 0.05 -1.53 0.36 0.15 -1.33 0.00 0.00 175.26 172.97 2joe s LYS 72 N 2.35 2.88 -0.55 -4.83 1.02 0.57 -4.93 119.74 116.25 2joe s LYS 72 Ca 0.14 -1.40 -0.25 0.00 0.02 0.00 0.00 55.97 54.48 2joe s LYS 72 Cb -0.21 -4.05 0.04 0.00 -0.52 0.00 0.00 37.83 33.09 2joe s LYS 72 CO 0.03 -1.02 0.99 -0.51 -0.92 0.00 0.00 175.35 173.91 2joe s LEU 73 N 1.58 3.96 -0.20 3.17 1.43 -1.26 -0.97 118.68 126.40 2joe s LEU 73 Ca 0.04 -0.22 -0.06 0.00 -1.03 0.00 0.00 54.13 52.86 2joe s LEU 73 Cb -0.24 -2.93 -0.03 0.00 0.03 0.00 0.00 46.19 43.02 2joe s LEU 73 CO 0.05 -1.26 0.03 0.42 0.23 0.00 0.00 176.35 175.82 2joe s THR 74 N 4.14 4.26 -0.25 5.49 -4.23 -0.16 -4.95 115.64 119.94 2joe s THR 74 Ca 0.33 -0.21 -0.04 0.00 -1.18 0.00 0.00 61.69 60.60 2joe s THR 74 Cb -0.11 -2.93 0.01 0.00 1.34 0.00 0.00 72.50 70.80 2joe s THR 74 CO 0.21 0.43 -0.03 -0.31 -0.54 0.00 0.00 174.62 174.38 2joe s TYR 75 N 0.86 3.04 -0.05 3.99 2.02 -1.26 -0.31 117.35 125.63 2joe s TYR 75 Ca 0.02 -1.19 -0.02 0.00 -0.37 0.00 0.00 57.07 55.51 2joe s TYR 75 Cb -0.14 -2.12 -0.01 0.00 -0.40 0.00 0.00 41.96 39.30 2joe s TYR 75 CO 0.02 -0.63 -0.04 1.79 -1.57 0.00 0.00 175.55 175.12 2joe h THR 76 N 5.91 0.00 0.00 -0.71 1.35 -1.92 -3.50 112.91 114.04 2joe h THR 76 Ca -0.36 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 2joe h THR 76 Cb 1.13 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 2joe h THR 76 CO 0.59 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 175.19 2joe n ASP 77 N -3.18 0.00 0.01 5.36 2.03 -1.26 -4.95 116.55 114.56 2joe n ASP 77 Ca -0.02 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.41 2joe n ASP 77 Cb 0.06 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 40.57 2joe n ASP 77 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2joe n THR 78 N 0.00 0.08 -3.72 5.18 -1.04 -1.26 -4.81 114.28 108.70 2joe n THR 78 Ca 0.00 -0.10 -0.10 0.00 -2.04 0.00 0.00 64.05 61.81 2joe n THR 78 Cb 0.00 0.34 -0.05 0.00 -1.82 0.00 0.00 70.33 68.81 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 -3.08 -0.07 -0.07 -1.42 -0.85 -1.26 -1.36 117.35 109.24 2joe s TYR 79 Ca 0.08 -0.28 0.04 0.00 -0.52 0.00 0.00 57.07 56.39 2joe s TYR 79 Cb 0.16 0.21 -0.00 0.00 0.38 0.00 0.00 41.96 42.71 2joe s TYR 79 CO 0.77 -0.74 -0.20 0.00 -1.52 0.00 0.00 175.55 173.86 2joe s ALA 80 N -3.85 1.83 -0.36 9.51 0.00 0.32 -2.64 121.76 126.58 2joe s ALA 80 Ca 0.06 -0.81 -0.10 0.00 0.00 0.00 0.00 51.96 51.11 2joe s ALA 80 Cb 0.02 -0.66 0.02 0.00 0.00 0.00 0.00 23.12 22.50 2joe s ALA 80 CO -0.08 0.28 0.19 -0.65 0.00 0.00 0.00 175.76 175.50 2joe s GLN 81 N 0.22 2.96 -0.93 0.00 -0.21 0.57 -0.03 119.66 122.24 2joe s GLN 81 Ca -0.11 -0.99 -0.19 0.00 0.02 0.00 0.00 55.36 54.09 2joe s GLN 81 Cb -0.15 -3.68 0.12 0.00 1.00 0.00 0.00 33.01 30.30 2joe s GLN 81 CO 0.05 -0.62 1.16 -2.00 -2.12 0.00 0.00 175.29 171.76 2joe s GLU 82 N 1.56 3.58 -0.69 2.91 2.12 0.32 -0.98 118.70 127.53 2joe s GLU 82 Ca 0.03 -1.65 -0.26 0.00 0.36 0.00 0.00 54.97 53.45 2joe s GLU 82 Cb -0.19 -4.95 0.04 0.00 0.26 0.00 0.00 34.13 29.30 2joe s GLU 82 CO 0.06 -1.83 1.15 1.21 -0.54 0.00 0.00 175.26 175.32 2joe s ASN 83 N 3.81 6.20 -0.46 -1.70 3.84 -0.14 -1.02 114.94 125.48 2joe s ASN 83 Ca 0.34 -0.55 -0.15 0.00 0.21 0.00 0.00 52.86 52.71 2joe s ASN 83 Cb -0.05 -2.51 0.07 0.00 -0.55 0.00 0.00 41.25 38.21 2joe s ASN 83 CO -0.09 -1.64 0.37 -0.69 -2.79 0.00 0.00 177.10 172.26 2joe s VAL 84 N 5.04 5.12 -0.55 -5.21 1.01 0.13 -0.31 120.40 125.62 2joe s VAL 84 Ca 0.32 -1.06 -0.19 0.00 0.00 0.00 0.00 61.98 61.05 2joe s VAL 84 Cb -0.11 -4.04 0.07 0.00 0.00 0.00 0.00 36.38 32.30 2joe s VAL 84 CO 0.15 -0.54 0.69 -0.89 0.00 0.00 0.00 175.10 174.51 2joe s THR 85 N 1.62 4.80 -0.09 3.92 2.01 0.23 -0.01 115.64 128.12 2joe s THR 85 Ca 0.04 -0.62 -0.05 0.00 0.31 0.00 0.00 61.69 61.38 2joe s THR 85 Cb -0.24 -4.40 -0.04 0.00 0.01 0.00 0.00 72.50 67.84 2joe s THR 85 CO 0.06 -0.97 0.11 -0.63 -0.69 0.00 0.00 174.62 172.50 2joe s ILE 86 N 2.81 5.14 -0.16 1.82 1.01 -0.15 -1.12 121.20 130.54 2joe s ILE 86 Ca 0.15 0.01 -0.03 0.00 0.00 0.00 0.00 60.65 60.78 2joe s ILE 86 Cb -0.20 -3.25 -0.02 0.00 0.01 0.00 0.00 42.46 39.00 2joe s ILE 86 CO 0.10 0.56 -0.06 -0.62 0.00 0.00 0.00 174.94 174.93 2joe s ASP 87 N -1.14 4.48 0.00 3.58 2.15 -1.26 -0.25 116.67 124.23 2joe s ASP 87 Ca 0.16 -0.24 0.28 0.00 0.43 0.00 0.00 52.55 53.19 2joe s ASP 87 Cb -0.12 -1.73 1.15 0.00 -0.30 0.00 0.00 42.92 41.92 2joe s ASP 87 CO 0.06 0.12 1.81 0.23 -0.17 0.00 0.00 175.17 177.22 2joe n MET 88 N 3.84 1.01 -0.08 4.34 2.81 0.91 -2.85 117.12 127.10 2joe n MET 88 Ca -0.18 -0.45 -0.23 0.00 -1.81 0.00 0.00 57.70 55.03 2joe n MET 88 Cb 0.52 -1.49 -0.12 0.00 -0.71 0.00 0.00 33.22 31.42 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 -0.60 0.64 -0.04 0.03 1.02 -1.22 -4.40 120.64 116.06 2joe n GLU 89 Ca 0.16 0.39 0.11 0.00 -0.02 0.00 0.00 57.16 57.80 2joe n GLU 89 Cb 0.29 -1.67 0.12 0.00 -0.02 0.00 0.00 31.44 30.16 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 -3.99 2.06 -1.69 3.49 4.81 -1.26 -4.98 118.16 116.60 2joe n LYS 90 Ca -0.37 -1.87 -0.32 0.00 -0.87 0.00 0.00 58.31 54.88 2joe n LYS 90 Cb 0.86 -1.42 0.05 0.00 0.02 0.00 0.00 35.03 34.54 2joe n LYS 90 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2joe s VAL 91 N -1.67 3.55 -0.18 3.15 0.11 -1.13 -4.56 120.40 119.67 2joe s VAL 91 Ca 0.27 0.64 0.01 0.00 -2.93 0.00 0.00 61.98 59.97 2joe s VAL 91 Cb 0.18 -3.19 0.03 0.00 -1.53 0.00 0.00 36.38 31.88 2joe s VAL 91 CO 0.27 -0.53 -0.14 -0.62 -3.33 0.00 0.00 175.10 170.75 2joe s ASP 92 N -3.02 3.09 0.46 3.54 2.15 -1.26 -5.00 116.67 116.62 2joe s ASP 92 Ca 0.63 -0.69 0.27 0.00 0.43 0.00 0.00 52.55 53.19 2joe s ASP 92 Cb -0.17 -1.28 0.74 0.00 -0.30 0.00 0.00 42.92 41.90 2joe s ASP 92 CO 0.46 -0.08 1.75 -0.26 -0.17 0.00 0.00 175.17 176.87 2joe h PHE 93 N 7.99 0.00 -0.43 -5.34 0.04 -1.96 -2.30 116.94 114.94 2joe h PHE 93 Ca -0.36 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.34 2joe h PHE 93 Cb 1.12 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.25 2joe h PHE 93 CO 0.49 0.00 -0.01 -0.22 -0.60 0.00 0.00 178.31 177.97 2joe h LYS 94 N 0.00 0.71 0.00 1.51 3.64 -1.95 -1.81 116.57 118.67 2joe h LYS 94 Ca 0.00 -0.19 -0.07 0.00 -1.27 0.00 0.00 60.65 59.13 2joe h LYS 94 Cb 0.80 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 2joe h LYS 94 CO 0.00 0.74 -0.31 0.00 -2.27 0.00 0.00 179.45 177.61 2joe h ALA 95 N 1.32 0.92 -0.01 5.00 0.00 -1.86 -2.98 119.26 121.65 2joe h ALA 95 Ca 0.13 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2joe h ALA 95 Cb 0.43 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2joe h ALA 95 CO 0.02 0.39 0.00 1.28 0.00 0.00 0.00 179.25 180.94 2joe n LEU 96 N -3.35 0.55 -0.05 0.00 4.77 -0.73 -4.25 117.00 113.94 2joe n LEU 96 Ca 0.01 -0.19 -0.08 0.00 -0.03 0.00 0.00 56.01 55.72 2joe n LEU 96 Cb 0.53 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.60 2joe n LEU 96 CO 0.36 0.09 0.74 -0.61 -1.33 0.00 0.00 177.39 176.64 2joe h GLN 97 N 0.84 -0.16 -0.65 3.23 4.15 -1.26 -0.45 115.11 120.81 2joe h GLN 97 Ca 0.00 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2joe h GLN 97 Cb 0.18 0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.91 2joe h GLN 97 CO 0.00 -0.11 0.00 0.41 -1.93 0.00 0.00 178.83 177.20 2joe n GLY 98 N -1.33 2.50 0.08 2.39 0.00 -1.26 -4.19 105.19 103.38 2joe n GLY 98 Ca -0.01 -0.73 -0.07 0.00 0.00 0.00 0.00 46.02 45.21 2joe n GLY 98 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2joe n ILE 99 N 0.68 0.60 -2.18 -0.61 5.41 -0.55 -4.91 119.36 117.80 2joe n ILE 99 Ca 0.22 -0.23 -0.32 0.00 1.00 0.00 0.00 62.75 63.42 2joe n ILE 99 Cb 0.90 -0.91 -0.04 0.00 -0.71 0.00 0.00 39.64 38.89 2joe n ILE 99 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2joe s SER 100 N -5.06 5.51 0.00 4.38 0.01 -0.29 -4.72 113.70 113.53 2joe s SER 100 Ca -0.14 -0.70 0.29 0.00 1.31 0.00 0.00 55.95 56.71 2joe s SER 100 Cb 0.04 -2.56 1.56 0.00 0.21 0.00 0.00 66.02 65.27 2joe s SER 100 CO 0.24 -2.38 2.03 0.61 0.41 0.00 0.00 173.24 174.15 2joe n GLY 101 N 6.63 -0.71 3.72 3.44 0.00 -1.26 -4.86 105.19 112.14 2joe n GLY 101 Ca 0.34 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.99 2.77 -0.79 -0.61 1.01 -1.26 -4.93 121.20 115.40 2joe s ILE 102 Ca 0.43 0.54 -0.26 0.00 0.00 0.00 0.00 60.65 61.36 2joe s ILE 102 Cb 0.20 -3.34 0.01 0.00 0.01 0.00 0.00 42.46 39.34 2joe s ILE 102 CO 0.34 0.04 1.57 0.21 0.00 0.00 0.00 174.94 177.09 2joe s ASN 103 N 1.22 5.85 0.31 3.58 3.04 -1.26 -4.94 114.94 122.73 2joe s ASN 103 Ca 0.69 -0.48 0.03 0.00 0.04 0.00 0.00 52.86 53.15 2joe s ASN 103 Cb -0.42 -2.55 -0.06 0.00 -1.54 0.00 0.00 41.25 36.67 2joe s ASN 103 CO 0.31 -2.05 0.07 0.54 -3.04 0.00 0.00 177.10 172.93 2joe s VAL 104 N 7.10 1.01 0.39 -5.21 0.11 -1.26 -4.76 120.40 117.78 2joe s VAL 104 Ca 0.51 -2.00 -0.19 0.00 -2.93 0.00 0.00 61.98 57.37 2joe s VAL 104 Cb -0.07 -2.74 -0.10 0.00 -1.53 0.00 0.00 36.38 31.93 2joe s VAL 104 CO 0.09 0.00 0.87 -0.55 -3.33 0.00 0.00 175.10 172.18 2joe s SER 105 N -3.45 6.87 0.09 3.54 0.15 -1.26 -4.99 113.70 114.65 2joe s SER 105 Ca 0.37 1.54 -0.18 0.00 0.70 0.00 0.00 55.95 58.37 2joe s SER 105 Cb 0.08 -2.48 -0.07 0.00 -1.71 0.00 0.00 66.02 61.84 2joe s SER 105 CO 0.15 -0.31 1.53 0.00 1.20 0.00 0.00 173.24 175.81 2joe h ALA 106 N 1.99 0.36 0.00 5.45 0.00 -2.01 -2.69 119.26 122.36 2joe h ALA 106 Ca -0.49 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2joe h ALA 106 Cb 1.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2joe h ALA 106 CO 0.63 0.09 0.00 0.39 0.00 0.00 0.00 179.25 180.35 2joe n GLU 107 N -4.62 0.97 -0.04 0.00 1.02 -1.26 -2.21 120.64 114.50 2joe n GLU 107 Ca -0.03 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.08 2joe n GLU 107 Cb 0.24 -1.02 -0.01 0.00 -0.02 0.00 0.00 31.44 30.64 2joe n GLU 107 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2joe n ASP 108 N -0.48 1.00 0.08 1.62 -0.08 -1.02 -4.12 116.55 113.55 2joe n ASP 108 Ca 0.00 0.42 -0.13 0.00 -1.51 0.00 0.00 54.79 53.57 2joe n ASP 108 Cb 0.01 -0.69 -0.13 0.00 2.34 0.00 0.00 41.12 42.64 2joe n ASP 108 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2joe h ALA 109 N -1.45 0.23 -0.13 -1.67 0.00 -1.61 -2.65 119.26 111.97 2joe h ALA 109 Ca 0.00 -0.95 -0.14 0.00 0.00 0.00 0.00 54.91 53.82 2joe h ALA 109 Cb 0.32 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2joe h ALA 109 CO 0.00 1.11 -0.51 0.87 0.00 0.00 0.00 179.25 180.72 2joe h LYS 110 N 0.05 0.36 0.00 0.00 1.57 -1.70 -3.28 116.57 113.57 2joe h LYS 110 Ca -0.12 -0.21 -0.10 0.00 -1.87 0.00 0.00 60.65 58.34 2joe h LYS 110 Cb 1.92 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 34.23 2joe h LYS 110 CO 0.17 0.79 -2.03 1.63 -0.57 0.00 0.00 179.45 179.44 2joe n LYS 111 N -3.95 0.66 0.00 3.15 5.02 -1.25 -5.06 118.16 116.73 2joe n LYS 111 Ca -0.02 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 2joe n LYS 111 Cb 0.57 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 2joe n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2joe n GLY 112 N 1.39 4.25 3.60 0.72 0.00 -1.00 -5.05 105.19 109.09 2joe n GLY 112 Ca -0.11 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.25 4.10 0.52 -0.61 -1.09 -1.23 -4.74 121.20 117.90 2joe s ILE 113 Ca 0.00 1.11 0.03 0.00 -2.23 0.00 0.00 60.65 59.56 2joe s ILE 113 Cb 0.00 -4.50 0.03 0.00 -1.58 0.00 0.00 42.46 36.41 2joe s ILE 113 CO 0.00 -0.96 0.22 0.35 -1.23 0.00 0.00 174.94 173.32 2joe n THR 114 N 6.92 0.00 -0.17 2.92 -2.24 -1.26 -4.14 114.28 116.31 2joe n THR 114 Ca 0.13 -2.23 -0.10 0.00 -2.27 0.00 0.00 64.05 59.58 2joe n THR 114 Cb 0.49 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 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 0.90 0.03 -0.78 4.05 -0.97 -1.83 114.93 116.32 2joe h MET 115 Ca -0.37 -0.30 0.02 0.00 -0.28 0.00 0.00 59.70 58.76 2joe h MET 115 Cb 1.25 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.96 2joe h MET 115 CO 0.60 0.95 -0.12 0.00 0.23 0.00 0.00 176.91 178.57 2joe h ALA 116 N 0.92 -0.16 0.48 0.39 0.00 -1.94 -1.63 119.26 117.31 2joe h ALA 116 Ca 0.14 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2joe h ALA 116 Cb 0.57 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2joe h ALA 116 CO 0.03 -0.62 -0.32 1.96 0.00 0.00 0.00 179.25 180.30 2joe h GLN 117 N -0.22 -0.73 -0.79 0.00 7.50 -1.90 -1.88 115.11 117.08 2joe h GLN 117 Ca 0.03 0.05 0.19 0.00 0.50 0.00 0.00 58.65 59.42 2joe h GLN 117 Cb 0.26 0.17 -0.13 0.00 0.05 0.00 0.00 27.48 27.83 2joe h GLN 117 CO -0.10 -0.49 0.14 1.98 -1.50 0.00 0.00 178.83 178.86 2joe h MET 118 N -0.76 0.19 0.64 1.46 4.05 -1.33 0.37 114.93 119.54 2joe h MET 118 Ca -0.06 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.31 2joe h MET 118 Cb 0.62 -0.04 0.01 0.00 -0.80 0.00 0.00 31.60 31.38 2joe h MET 118 CO 0.05 0.12 -0.31 0.93 0.23 0.00 0.00 176.91 177.94 2joe h GLU 119 N 0.19 -0.82 -0.40 0.39 4.39 -1.24 -0.37 114.58 116.72 2joe h GLU 119 Ca 0.46 0.06 -0.01 0.00 0.34 0.00 0.00 59.36 60.20 2joe h GLU 119 Cb 0.84 0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.66 2joe h GLU 119 CO -0.61 -0.55 0.19 -0.07 -1.16 0.00 0.00 179.01 176.81 2joe h LEU 120 N -0.94 0.49 0.04 1.33 3.38 -0.86 -2.10 115.31 116.66 2joe h LEU 120 Ca -0.09 -0.04 -0.24 0.00 0.09 0.00 0.00 57.88 57.61 2joe h LEU 120 Cb 0.65 -0.12 0.02 0.00 0.09 0.00 0.00 40.66 41.30 2joe h LEU 120 CO 0.14 0.43 -0.95 0.58 0.09 0.00 0.00 178.44 178.73 2joe h VAL 121 N 0.55 1.34 -0.12 1.22 2.07 -0.29 -1.62 116.25 119.40 2joe h VAL 121 Ca 0.14 -2.26 -0.14 0.00 0.82 0.00 0.00 66.70 65.26 2joe h VAL 121 Cb 0.07 2.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 2joe h VAL 121 CO -0.02 0.68 -0.52 0.24 0.02 0.00 0.00 177.57 177.97 2joe h MET 122 N 0.18 0.33 0.00 1.57 2.86 -0.85 -0.73 114.93 118.30 2joe h MET 122 Ca -0.13 -0.20 -0.07 0.00 -2.06 0.00 0.00 59.70 57.24 2joe h MET 122 Cb 1.64 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 33.30 2joe h MET 122 CO 0.19 0.77 -0.34 0.87 1.06 0.00 0.00 176.91 179.46 2joe h LYS 123 N 0.26 0.00 -0.10 1.72 6.56 -1.43 0.23 116.57 123.80 2joe h LYS 123 Ca 0.01 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.57 2joe h LYS 123 Cb 1.01 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.66 2joe h LYS 123 CO 0.09 0.34 -0.03 0.00 -2.06 0.00 0.00 179.45 177.78 2joe h ALA 124 N 1.66 0.14 -0.31 3.86 0.00 -0.56 -3.12 119.26 120.93 2joe h ALA 124 Ca -0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2joe h ALA 124 Cb 0.94 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2joe h ALA 124 CO 0.04 -0.11 0.02 0.00 0.00 0.00 0.00 179.25 179.20 2joe h ALA 125 N 0.67 1.46 0.00 0.00 0.00 -1.08 -3.47 119.26 116.85 2joe h ALA 125 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2joe h ALA 125 Cb 0.46 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2joe h ALA 125 CO 0.01 0.39 0.00 0.41 0.00 0.00 0.00 179.25 180.06 2joe n GLY 126 N -0.98 1.66 3.70 0.00 0.00 -0.81 -5.10 105.19 103.66 2joe n GLY 126 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 3.46 -0.11 1.61 0.08 0.00 -4.98 117.98 116.04 2joe s PHE 127 Ca 0.00 0.83 -0.06 0.00 0.12 0.00 0.00 56.93 57.83 2joe s PHE 127 Cb 0.00 -2.58 -0.04 0.00 -0.57 0.00 0.00 43.02 39.83 2joe s PHE 127 CO 0.00 0.08 0.09 0.21 -0.10 0.00 0.00 175.22 175.50 2joe s LYS 128 N 0.96 3.34 0.36 0.44 2.20 -1.26 -4.50 119.74 121.28 2joe s LYS 128 Ca 0.25 -0.23 -0.20 0.00 -0.36 0.00 0.00 55.97 55.43 2joe s LYS 128 Cb -0.15 -3.07 -0.10 0.00 -1.51 0.00 0.00 37.83 32.99 2joe s LYS 128 CO 0.10 0.72 0.87 -1.21 -0.36 0.00 0.00 175.35 175.46 2joe s GLU 129 N -0.88 4.22 0.01 4.03 2.02 -1.26 -1.00 118.70 125.83 2joe s GLU 129 Ca 0.14 0.99 0.19 0.00 0.02 0.00 0.00 54.97 56.31 2joe s GLU 129 Cb -0.12 -2.41 -0.19 0.00 0.10 0.00 0.00 34.13 31.52 2joe s GLU 129 CO 0.03 0.11 0.63 0.28 0.02 0.00 0.00 175.26 176.33 2joe n VAL 130 N -0.26 0.93 -2.11 2.63 0.31 0.87 -4.79 118.33 115.92 2joe n VAL 130 Ca 0.04 -0.67 -0.02 0.00 -0.01 0.00 0.00 64.34 63.68 2joe n VAL 130 Cb 0.53 -0.50 -0.02 0.00 -0.91 0.00 0.00 33.84 32.94 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 -2.72 -2.33 -3.42 5.55 5.02 -0.22 -4.98 118.16 115.06 2joe n LYS 131 Ca -0.12 2.01 -0.44 0.00 -2.02 0.00 0.00 58.31 57.74 2joe n LYS 131 Cb 0.82 -3.25 -0.07 0.00 -0.02 0.00 0.00 35.03 32.50 2joe n LYS 131 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2joe s LEU 132 N -0.51 5.72 0.00 -0.35 0.20 -1.26 -4.90 118.68 117.58 2joe s LEU 132 Ca -0.11 -1.58 0.00 0.00 0.69 0.00 0.00 54.13 53.13 2joe s LEU 132 Cb 0.01 -2.13 0.00 0.00 -0.43 0.00 0.00 46.19 43.63 2joe s LEU 132 CO 0.43 -0.70 0.00 1.21 -0.29 0.00 0.00 176.35 177.00 2joe n GLU 133 N 5.13 0.00 0.00 1.98 2.13 -1.26 -4.54 120.64 124.07 2joe n GLU 133 Ca -0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.70 2joe n GLU 133 Cb 0.42 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.13 2joe n GLU 133 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2joe n HIS 134 N 0.00 -1.41 0.00 4.31 8.25 -1.26 -5.00 115.22 120.10 2joe n HIS 134 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2joe n HIS 134 Cb 0.00 0.41 0.00 0.00 1.12 0.00 0.00 29.99 31.52 2joe n HIS 134 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2joe n HIS 135 N -2.24 0.00 -3.17 4.41 -0.00 -1.26 -5.06 115.22 107.89 2joe n HIS 135 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.50 2joe n HIS 135 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.01 2joe n HIS 135 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2joe n HIS 136 N 0.00 -2.91 -2.75 1.57 -0.00 -1.26 -4.89 115.22 104.98 2joe n HIS 136 Ca 0.00 1.21 -0.43 0.00 0.46 0.00 0.00 57.72 58.96 2joe n HIS 136 Cb 0.00 -2.79 -0.02 0.00 -0.12 0.00 0.00 29.99 27.06 2joe n HIS 136 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2joe s HIS 137 N -1.90 2.93 0.15 1.57 5.65 -1.26 -4.80 115.29 117.62 2joe s HIS 137 Ca 0.28 -1.37 0.06 0.00 0.25 0.00 0.00 55.06 54.27 2joe s HIS 137 Cb -0.05 -4.51 -0.08 0.00 -1.18 0.00 0.00 32.58 26.76 2joe s HIS 137 CO 0.77 -1.68 1.34 1.12 -0.65 0.00 0.00 174.74 175.64 2joe h HIS 138 N 8.65 0.11 0.00 3.88 2.07 -2.08 -3.55 115.15 124.24 2joe h HIS 138 Ca 0.25 -0.07 0.00 0.00 -2.85 0.00 0.00 60.37 57.70 2joe h HIS 138 Cb 0.97 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 30.94 2joe h HIS 138 CO 1.24 0.96 0.00 0.72 -3.07 0.00 0.00 177.93 177.78