#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 2.83 0.00 3.03 0.00 -1.26 -3.16 105.19 106.63 2joe n GLY 2 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 1.85 1.74 0.11 1.61 5.75 -1.26 -4.78 116.55 121.57 2joe n ASP 3 Ca 0.21 0.00 0.11 0.00 -0.01 0.00 0.00 54.79 55.10 2joe n ASP 3 Cb 0.68 0.10 0.01 0.00 -1.03 0.00 0.00 41.12 40.88 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 0.00 0.00 0.11 1.57 -1.94 -3.41 116.57 112.90 2joe h LYS 4 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2joe h LYS 4 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2joe h LYS 4 CO 0.00 0.01 0.00 -1.91 -0.57 0.00 0.00 179.45 176.98 2joe n GLU 5 N -2.71 0.00 -3.85 3.15 2.13 -1.25 -5.00 120.64 113.11 2joe n GLU 5 Ca -0.00 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.71 2joe n GLU 5 Cb 0.56 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.18 2joe n GLU 5 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2joe s GLU 6 N -1.28 0.57 -0.01 5.31 2.56 -0.63 -4.32 118.70 120.89 2joe s GLU 6 Ca 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 54.97 54.54 2joe s GLU 6 Cb 0.00 0.24 0.01 0.00 2.00 0.00 0.00 34.13 36.38 2joe s GLU 6 CO 0.00 -0.15 -0.02 -1.54 -0.56 0.00 0.00 175.26 172.99 2joe s SER 7 N -1.58 0.44 -0.32 -1.70 1.04 -1.25 -0.81 113.70 109.53 2joe s SER 7 Ca -0.12 -0.06 -0.01 0.00 0.48 0.00 0.00 55.95 56.24 2joe s SER 7 Cb -0.05 -0.13 0.11 0.00 0.10 0.00 0.00 66.02 66.04 2joe s SER 7 CO 0.00 -0.01 0.13 -0.75 0.98 0.00 0.00 173.24 173.59 2joe s LYS 8 N 0.35 0.64 -0.29 4.02 2.20 0.09 -4.71 119.74 122.05 2joe s LYS 8 Ca -0.03 -1.08 -0.21 0.00 -0.36 0.00 0.00 55.97 54.29 2joe s LYS 8 Cb -0.06 -1.78 -0.01 0.00 -1.51 0.00 0.00 37.83 34.46 2joe s LYS 8 CO -0.01 -1.03 0.67 0.21 -0.36 0.00 0.00 175.35 174.83 2joe s LYS 9 N 1.54 3.97 -0.01 4.03 2.20 -1.25 -0.47 119.74 129.75 2joe s LYS 9 Ca 0.11 0.44 -0.00 0.00 -0.36 0.00 0.00 55.97 56.16 2joe s LYS 9 Cb -0.18 -3.71 -0.04 0.00 -1.51 0.00 0.00 37.83 32.39 2joe s LYS 9 CO -0.23 -0.56 0.06 -0.59 -0.36 0.00 0.00 175.35 173.68 2joe s PHE 10 N 2.67 3.24 -0.11 4.03 -0.12 0.20 0.13 117.98 128.02 2joe s PHE 10 Ca 0.27 0.19 -0.02 0.00 -0.05 0.00 0.00 56.93 57.32 2joe s PHE 10 Cb -0.15 -1.73 0.04 0.00 -0.63 0.00 0.00 43.02 40.55 2joe s PHE 10 CO 0.11 0.53 0.02 -1.54 -0.05 0.00 0.00 175.22 174.29 2joe s SER 11 N -1.65 1.99 -0.05 1.98 1.04 -1.14 -1.18 113.70 114.69 2joe s SER 11 Ca 0.22 -0.31 0.01 0.00 0.48 0.00 0.00 55.95 56.34 2joe s SER 11 Cb -0.12 -0.47 0.02 0.00 0.10 0.00 0.00 66.02 65.55 2joe s SER 11 CO 0.12 -0.23 -0.04 0.00 0.98 0.00 0.00 173.24 174.08 2joe s ALA 12 N 1.95 0.67 -0.66 5.32 0.00 -0.65 -4.66 121.76 123.72 2joe s ALA 12 Ca 0.03 -0.06 -0.22 0.00 0.00 0.00 0.00 51.96 51.71 2joe s ALA 12 Cb -0.14 -0.47 0.07 0.00 0.00 0.00 0.00 23.12 22.59 2joe s ALA 12 CO -0.06 -0.08 0.97 1.21 0.00 0.00 0.00 175.76 177.79 2joe s ASN 13 N 1.07 6.18 -1.04 0.00 3.84 -1.26 -0.98 114.94 122.76 2joe s ASN 13 Ca -0.09 -1.01 -0.14 0.00 0.21 0.00 0.00 52.86 51.83 2joe s ASN 13 Cb -0.14 -2.42 0.19 0.00 -0.55 0.00 0.00 41.25 38.33 2joe s ASN 13 CO -0.01 -1.44 1.15 -1.48 -2.79 0.00 0.00 177.10 172.54 2joe s LEU 14 N 4.04 5.66 0.00 3.21 2.34 -0.09 -4.78 118.68 129.07 2joe s LEU 14 Ca 0.22 -2.80 0.00 0.00 0.06 0.00 0.00 54.13 51.61 2joe s LEU 14 Cb -0.17 -2.32 0.00 0.00 -0.56 0.00 0.00 46.19 43.14 2joe s LEU 14 CO 0.10 -0.70 0.00 -3.20 -1.06 0.00 0.00 176.35 171.48 2joe n ASN 15 N 4.95 0.00 0.00 1.48 5.15 -1.26 -2.87 115.26 122.71 2joe n ASN 15 Ca 0.26 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.24 2joe n ASN 15 Cb 0.45 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.70 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 0.00 0.00 3.65 8.20 0.00 -1.26 -5.06 105.19 110.73 2joe n GLY 16 Ca 0.00 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.00 5.22 -0.67 2.61 -4.23 -1.14 -4.52 115.64 111.92 2joe s THR 17 Ca 0.00 0.56 -0.17 0.00 -1.18 0.00 0.00 61.69 60.91 2joe s THR 17 Cb 0.00 -3.67 0.14 0.00 1.34 0.00 0.00 72.50 70.31 2joe s THR 17 CO 0.00 0.24 0.70 -1.61 -0.54 0.00 0.00 174.62 173.41 2joe s GLU 18 N 1.48 3.22 -0.25 3.99 2.02 -1.11 -0.91 118.70 127.15 2joe s GLU 18 Ca 0.16 -1.78 -0.17 0.00 0.02 0.00 0.00 54.97 53.20 2joe s GLU 18 Cb -0.15 -4.38 -0.03 0.00 0.10 0.00 0.00 34.13 29.67 2joe s GLU 18 CO 0.08 -1.43 0.48 0.42 0.02 0.00 0.00 175.26 174.82 2joe s ILE 19 N 1.70 5.11 -0.34 -1.63 1.01 -0.15 -0.16 121.20 126.74 2joe s ILE 19 Ca 0.12 0.82 0.00 0.00 0.00 0.00 0.00 60.65 61.60 2joe s ILE 19 Cb -0.21 -3.80 0.09 0.00 0.01 0.00 0.00 42.46 38.56 2joe s ILE 19 CO -0.00 0.13 0.07 0.00 0.00 0.00 0.00 174.94 175.14 2joe s ALA 20 N 2.04 2.92 -0.24 9.38 0.00 0.62 -1.63 121.76 134.84 2joe s ALA 20 Ca 0.20 -2.26 -0.10 0.00 0.00 0.00 0.00 51.96 49.81 2joe s ALA 20 Cb -0.15 -2.06 -0.05 0.00 0.00 0.00 0.00 23.12 20.86 2joe s ALA 20 CO 0.09 -1.56 0.14 0.42 0.00 0.00 0.00 175.76 174.85 2joe s ILE 21 N 1.09 5.16 -0.39 0.00 1.01 -0.32 -0.25 121.20 127.49 2joe s ILE 21 Ca 0.04 0.11 -0.07 0.00 0.00 0.00 0.00 60.65 60.72 2joe s ILE 21 Cb -0.21 -3.41 0.07 0.00 0.01 0.00 0.00 42.46 38.93 2joe s ILE 21 CO -0.05 0.35 0.20 -0.89 0.00 0.00 0.00 174.94 174.55 2joe s THR 22 N 1.13 3.94 -0.57 2.92 2.01 0.11 -0.63 115.64 124.55 2joe s THR 22 Ca 0.07 -1.41 -0.26 0.00 0.31 0.00 0.00 61.69 60.40 2joe s THR 22 Cb -0.14 -3.39 0.04 0.00 0.01 0.00 0.00 72.50 69.01 2joe s THR 22 CO 0.05 -0.42 1.07 -0.31 -0.69 0.00 0.00 174.62 174.31 2joe s TYR 23 N 1.38 2.69 -0.66 4.92 2.02 0.38 -1.08 117.35 127.00 2joe s TYR 23 Ca 0.02 0.18 -0.20 0.00 -0.37 0.00 0.00 57.07 56.70 2joe s TYR 23 Cb -0.22 -4.29 0.10 0.00 -0.40 0.00 0.00 41.96 37.15 2joe s TYR 23 CO 0.01 -1.48 0.84 0.08 -1.57 0.00 0.00 175.55 173.44 2joe s VAL 24 N 4.45 4.67 0.25 0.71 1.01 -0.09 -0.73 120.40 130.67 2joe s VAL 24 Ca 0.36 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.50 2joe s VAL 24 Cb -0.10 -4.59 -0.05 0.00 0.00 0.00 0.00 36.38 31.64 2joe s VAL 24 CO 0.22 -1.28 -0.10 -0.72 0.00 0.00 0.00 175.10 173.21 2joe s TYR 25 N 3.05 1.87 -0.09 5.22 1.13 0.01 -1.09 117.35 127.45 2joe s TYR 25 Ca 0.18 -0.62 -0.03 0.00 -1.41 0.00 0.00 57.07 55.19 2joe s TYR 25 Cb -0.19 -0.97 0.05 0.00 -1.10 0.00 0.00 41.96 39.75 2joe s TYR 25 CO 0.05 0.34 0.11 0.21 -2.51 0.00 0.00 175.55 173.75 2joe s LYS 26 N -3.68 0.00 6.02 -3.49 2.20 -0.67 -1.61 119.74 118.52 2joe s LYS 26 Ca 0.27 0.31 0.00 0.00 -0.36 0.00 0.00 55.97 56.18 2joe s LYS 26 Cb 0.01 -0.81 0.00 0.00 -1.51 0.00 0.00 37.83 35.53 2joe s LYS 26 CO 0.10 -0.43 0.00 0.41 -0.36 0.00 0.00 175.35 175.07 2joe n GLY 27 N 5.30 1.83 0.00 5.54 0.00 -1.26 -3.46 105.19 113.14 2joe n GLY 27 Ca -0.05 -0.51 0.02 0.00 0.00 0.00 0.00 46.02 45.49 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 7.84 1.04 -4.65 1.61 2.03 -1.26 -4.98 116.55 118.18 2joe n ASP 28 Ca 0.00 -0.48 -0.39 0.00 0.52 0.00 0.00 54.79 54.44 2joe n ASP 28 Cb 0.00 1.05 -0.08 0.00 -0.72 0.00 0.00 41.12 41.38 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 -1.68 4.12 -0.06 -0.67 2.20 -1.22 0.01 119.74 122.43 2joe s LYS 29 Ca 0.01 0.21 -0.30 0.00 -0.36 0.00 0.00 55.97 55.53 2joe s LYS 29 Cb 0.04 -3.59 -0.03 0.00 -1.51 0.00 0.00 37.83 32.74 2joe s LYS 29 CO 0.21 -0.16 1.25 0.08 -0.36 0.00 0.00 175.35 176.38 2joe s VAL 30 N 1.69 4.15 -0.23 4.02 1.01 -1.26 -1.67 120.40 128.12 2joe s VAL 30 Ca 0.19 1.47 0.08 0.00 0.00 0.00 0.00 61.98 63.72 2joe s VAL 30 Cb -0.15 -3.95 -0.19 0.00 0.00 0.00 0.00 36.38 32.09 2joe s VAL 30 CO 0.09 -0.03 -0.11 0.18 0.00 0.00 0.00 175.10 175.23 2joe n LEU 31 N 5.51 1.84 -3.77 3.92 4.77 -0.25 -4.58 117.00 124.44 2joe n LEU 31 Ca 0.12 -0.08 -0.25 0.00 -0.03 0.00 0.00 56.01 55.77 2joe n LEU 31 Cb 0.45 -0.36 -0.17 0.00 -2.33 0.00 0.00 43.42 41.01 2joe n LEU 31 CO 0.56 0.76 -0.38 -0.54 -1.33 0.00 0.00 177.39 176.46 2joe s LYS 32 N -2.49 0.68 -0.32 3.23 1.02 -0.61 -0.51 119.74 120.74 2joe s LYS 32 Ca -0.25 -0.07 -0.05 0.00 0.02 0.00 0.00 55.97 55.62 2joe s LYS 32 Cb 0.08 -1.36 0.03 0.00 -0.52 0.00 0.00 37.83 36.06 2joe s LYS 32 CO 0.66 -0.40 0.07 -1.14 -0.92 0.00 0.00 175.35 173.62 2joe s GLN 33 N 1.92 2.68 -0.78 1.68 0.74 -0.01 -0.92 119.66 124.98 2joe s GLN 33 Ca 0.03 -1.12 -0.19 0.00 0.05 0.00 0.00 55.36 54.13 2joe s GLN 33 Cb -0.14 -3.36 0.13 0.00 1.10 0.00 0.00 33.01 30.74 2joe s GLN 33 CO -0.06 -0.60 0.94 0.45 -0.55 0.00 0.00 175.29 175.47 2joe s SER 34 N 1.39 6.45 -0.54 6.67 0.15 -0.24 -0.34 113.70 127.24 2joe s SER 34 Ca -0.01 -1.79 -0.17 0.00 0.70 0.00 0.00 55.95 54.67 2joe s SER 34 Cb -0.19 -2.35 0.10 0.00 -1.71 0.00 0.00 66.02 61.87 2joe s SER 34 CO 0.02 -1.08 0.57 -0.44 1.20 0.00 0.00 173.24 173.51 2joe s SER 35 N 3.44 6.18 -0.38 5.45 0.01 0.11 0.08 113.70 128.60 2joe s SER 35 Ca 0.23 -1.45 -0.08 0.00 1.31 0.00 0.00 55.95 55.97 2joe s SER 35 Cb -0.13 -2.25 0.06 0.00 0.21 0.00 0.00 66.02 63.91 2joe s SER 35 CO -0.02 -0.91 0.18 -1.61 0.41 0.00 0.00 173.24 171.29 2joe s GLU 36 N 2.13 2.60 -0.50 12.44 2.02 0.65 -0.19 118.70 137.85 2joe s GLU 36 Ca 0.08 -1.31 -0.24 0.00 0.02 0.00 0.00 54.97 53.52 2joe s GLU 36 Cb -0.25 -3.62 0.03 0.00 0.10 0.00 0.00 34.13 30.39 2joe s GLU 36 CO 0.06 -0.80 0.87 0.99 0.02 0.00 0.00 175.26 176.40 2joe s THR 37 N 1.41 4.51 -0.89 3.63 2.01 0.74 -0.28 115.64 126.79 2joe s THR 37 Ca 0.01 0.38 -0.23 0.00 0.31 0.00 0.00 61.69 62.15 2joe s THR 37 Cb -0.21 -4.44 0.06 0.00 0.01 0.00 0.00 72.50 67.93 2joe s THR 37 CO 0.03 -0.92 1.29 -0.75 -0.69 0.00 0.00 174.62 173.58 2joe s LYS 38 N 3.63 3.43 -0.27 4.92 2.20 0.78 -0.21 119.74 134.22 2joe s LYS 38 Ca 0.31 -0.97 -0.20 0.00 -0.36 0.00 0.00 55.97 54.74 2joe s LYS 38 Cb -0.12 -4.84 -0.02 0.00 -1.51 0.00 0.00 37.83 31.34 2joe s LYS 38 CO 0.21 -2.07 0.61 0.42 -0.36 0.00 0.00 175.35 174.17 2joe s ILE 39 N 4.65 4.98 0.36 5.43 1.01 0.09 -2.74 121.20 134.98 2joe s ILE 39 Ca 0.38 1.03 -0.08 0.00 0.00 0.00 0.00 60.65 61.98 2joe s ILE 39 Cb -0.05 -3.94 -0.06 0.00 0.01 0.00 0.00 42.46 38.42 2joe s ILE 39 CO -0.01 -0.01 0.69 -1.10 0.00 0.00 0.00 174.94 174.51 2joe s GLN 40 N 2.51 3.73 0.46 2.79 -1.52 -1.26 -0.33 119.66 126.03 2joe s GLN 40 Ca 0.25 0.30 0.12 0.00 -1.95 0.00 0.00 55.36 54.08 2joe s GLN 40 Cb -0.15 -2.49 1.04 0.00 -0.22 0.00 0.00 33.01 31.19 2joe s GLN 40 CO 0.09 0.06 2.06 0.74 -0.25 0.00 0.00 175.29 178.00 2joe h PHE 41 N 1.44 0.16 0.00 0.91 -1.00 -1.62 0.43 116.94 117.27 2joe h PHE 41 Ca -0.47 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.30 2joe h PHE 41 Cb 1.19 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 40.70 2joe h PHE 41 CO 0.60 0.17 0.00 0.00 -1.61 0.00 0.00 178.31 177.47 2joe h ALA 42 N 1.84 1.00 0.16 2.45 0.00 -1.84 0.10 119.26 122.98 2joe h ALA 42 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.63 2joe h ALA 42 Cb 0.11 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.91 2joe h ALA 42 CO 0.00 0.00 -1.54 0.77 0.00 0.00 0.00 179.25 178.48 2joe h SER 43 N 0.00 0.54 0.51 0.00 0.02 -1.26 -3.36 113.55 110.01 2joe h SER 43 Ca 0.00 -0.70 -0.29 0.00 -0.84 0.00 0.00 61.79 59.96 2joe h SER 43 Cb 0.75 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.08 2joe h SER 43 CO 0.00 1.57 -1.59 -0.29 -1.14 0.00 0.00 176.83 175.38 2joe h ILE 44 N 0.09 1.02 -0.18 3.27 2.10 -1.32 -3.49 117.51 119.01 2joe h ILE 44 Ca -0.26 -2.79 0.00 0.00 1.08 0.00 0.00 64.86 62.89 2joe h ILE 44 Cb 2.06 2.58 0.00 0.00 -1.09 0.00 0.00 36.82 40.37 2joe h ILE 44 CO 0.19 0.69 0.00 0.61 -1.08 0.00 0.00 178.15 178.57 2joe n GLY 45 N 1.61 1.12 3.79 8.18 0.00 0.31 -5.09 105.19 115.11 2joe n GLY 45 Ca -0.16 -0.39 -0.33 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 -2.18 3.60 -0.17 4.61 0.00 -0.89 -5.03 121.76 121.70 2joe s ALA 46 Ca 0.00 -0.85 -0.25 0.00 0.00 0.00 0.00 51.96 50.86 2joe s ALA 46 Cb 0.00 -1.61 -0.22 0.00 0.00 0.00 0.00 23.12 21.29 2joe s ALA 46 CO 0.00 0.69 0.51 1.15 0.00 0.00 0.00 175.76 178.10 2joe h THR 47 N 3.27 1.37 -2.33 0.00 2.02 -1.94 -3.44 112.91 111.87 2joe h THR 47 Ca -0.49 -2.24 -0.56 0.00 0.77 0.00 0.00 66.41 63.89 2joe h THR 47 Cb 1.19 2.80 -0.13 0.00 -1.74 0.00 0.00 68.15 70.26 2joe h THR 47 CO 0.62 0.46 -0.54 0.42 0.37 0.00 0.00 175.52 176.86 2joe s THR 48 N -2.27 0.85 0.39 3.16 -4.23 -1.26 -5.02 115.64 107.26 2joe s THR 48 Ca -0.23 -2.00 0.38 0.00 -1.18 0.00 0.00 61.69 58.67 2joe s THR 48 Cb 0.01 -2.44 0.41 0.00 1.34 0.00 0.00 72.50 71.82 2joe s THR 48 CO 0.63 0.00 2.18 0.07 -0.54 0.00 0.00 174.62 176.96 2joe h LYS 49 N 1.80 0.00 0.11 3.99 2.10 -1.94 -2.15 116.57 120.48 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 32.60 2joe h LYS 49 CO 0.63 0.01 -0.05 1.49 -2.00 0.00 0.00 179.45 179.52 2joe h GLU 50 N 0.00 -0.15 -0.88 0.07 4.22 -1.99 0.22 114.58 116.07 2joe h GLU 50 Ca -0.00 0.01 0.01 0.00 0.08 0.00 0.00 59.36 59.46 2joe h GLU 50 Cb 0.26 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 2joe h GLU 50 CO 0.00 0.09 0.59 -0.44 -2.18 0.00 0.00 179.01 177.07 2joe h ASP 51 N -0.37 1.01 0.22 1.04 3.32 -1.81 -1.29 116.42 118.54 2joe h ASP 51 Ca -0.02 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 2joe h ASP 51 Cb 0.31 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2joe h ASP 51 CO 0.03 0.73 -0.11 0.00 -1.72 0.00 0.00 179.24 178.17 2joe h ALA 52 N 1.33 -0.30 -0.50 3.45 0.00 -1.31 -2.87 119.26 119.06 2joe h ALA 52 Ca 0.33 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2joe h ALA 52 Cb -0.13 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2joe h ALA 52 CO -0.07 -0.54 0.28 0.00 0.00 0.00 0.00 179.25 178.92 2joe h ALA 53 N 0.15 0.64 0.00 0.00 0.00 -0.82 -0.26 119.26 118.98 2joe h ALA 53 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2joe h ALA 53 Cb 0.41 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2joe h ALA 53 CO 0.05 0.16 0.00 -0.22 0.00 0.00 0.00 179.25 179.24 2joe h LYS 54 N 0.67 0.00 0.04 0.00 3.64 -1.26 0.23 116.57 119.89 2joe h LYS 54 Ca 0.18 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.19 2joe h LYS 54 Cb 0.03 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 2joe h LYS 54 CO -0.03 0.00 -2.21 2.41 -2.27 0.00 0.00 179.45 177.35 2joe n THR 55 N -2.65 1.58 -0.04 1.00 -1.04 -0.51 -4.66 114.28 107.96 2joe n THR 55 Ca -0.02 -0.68 -0.16 0.00 -2.04 0.00 0.00 64.05 61.15 2joe n THR 55 Cb 0.09 -1.28 -0.14 0.00 -1.82 0.00 0.00 70.33 67.17 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 -3.20 1.97 -0.22 -4.42 4.77 -0.22 -4.43 117.00 111.24 2joe n LEU 56 Ca -0.35 0.18 0.02 0.00 -0.03 0.00 0.00 56.01 55.83 2joe n LEU 56 Cb 1.05 -0.58 0.14 0.00 -2.33 0.00 0.00 43.42 41.70 2joe n LEU 56 CO 0.37 0.71 0.96 -0.33 -1.33 0.00 0.00 177.39 177.78 2joe h GLU 57 N 0.03 0.34 -0.99 3.23 5.08 -0.82 -0.03 114.58 121.41 2joe h GLU 57 Ca -0.43 -0.02 0.37 0.00 -1.00 0.00 0.00 59.36 58.29 2joe h GLU 57 Cb 2.03 -0.08 -0.17 0.00 0.50 0.00 0.00 28.75 31.03 2joe h GLU 57 CO 0.05 0.22 0.48 -1.35 -1.00 0.00 0.00 179.01 177.42 2joe h PRO 58 N 0.35 0.08 -0.31 2.33 0.11 -1.80 -1.72 132.00 131.05 2joe h PRO 58 Ca 0.35 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 66.31 2joe h PRO 58 Cb 0.52 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.61 2joe h PRO 58 CO -0.40 0.06 -0.39 -0.07 -0.21 0.00 0.00 178.00 176.99 2joe h LEU 59 N 0.09 0.88 -2.80 2.35 4.07 -1.25 -2.92 115.31 115.73 2joe h LEU 59 Ca 0.79 -0.49 -0.00 0.00 0.08 0.00 0.00 57.88 58.25 2joe h LEU 59 Cb 1.97 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 43.46 2joe h LEU 59 CO -0.74 1.20 -0.00 0.28 -1.08 0.00 0.00 178.44 178.09 2joe h SER 60 N 0.58 0.00 1.10 -0.43 0.02 -1.31 -1.32 113.55 112.19 2joe h SER 60 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2joe h SER 60 Cb 0.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.52 2joe h SER 60 CO 0.09 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.79 2joe h ALA 61 N 2.00 1.00 -0.00 3.77 0.00 -1.44 -3.03 119.26 121.56 2joe h ALA 61 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 2joe h ALA 61 Cb 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2joe h ALA 61 CO 0.00 0.00 -0.90 0.87 0.00 0.00 0.00 179.25 179.22 2joe h LYS 62 N 0.00 0.32 0.00 0.00 1.57 -1.39 -3.30 116.57 113.77 2joe h LYS 62 Ca 0.00 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 2joe h LYS 62 Cb 0.55 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 2joe h LYS 62 CO 0.00 1.03 -0.06 1.88 -0.57 0.00 0.00 179.45 181.73 2joe h TYR 63 N 0.18 0.00 0.00 -1.35 -1.99 -1.68 -3.23 116.97 108.90 2joe h TYR 63 Ca -0.06 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.67 2joe h TYR 63 Cb 1.53 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.26 2joe h TYR 63 CO 0.05 0.06 0.00 1.63 -0.00 0.00 0.00 178.16 179.89 2joe n LYS 64 N -3.13 0.93 0.00 4.88 4.76 -1.24 -1.37 118.16 122.99 2joe n LYS 64 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 2joe n LYS 64 Cb 0.46 -1.38 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 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 0.14 0.38 -3.83 4.39 4.05 -1.22 -5.01 115.26 114.17 2joe n ASN 65 Ca 0.00 -1.14 -0.30 0.00 0.45 0.00 0.00 54.58 53.59 2joe n ASN 65 Cb 0.28 0.00 -0.14 0.00 1.23 0.00 0.00 39.78 41.15 2joe n ASN 65 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2joe s ILE 66 N -0.14 1.75 0.00 -1.44 1.01 -0.47 -5.05 121.20 116.86 2joe s ILE 66 Ca 0.00 -2.49 0.00 0.00 0.00 0.00 0.00 60.65 58.16 2joe s ILE 66 Cb 0.00 -2.25 0.00 0.00 0.01 0.00 0.00 42.46 40.22 2joe s ILE 66 CO 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 174.94 174.16 2joe n ALA 67 N 3.80 0.00 -0.43 9.38 0.00 -1.26 -1.32 120.51 130.68 2joe n ALA 67 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.34 2joe n ALA 67 Cb 0.37 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.94 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 3.55 3.58 0.00 0.00 -1.26 -4.88 105.19 106.18 2joe n GLY 68 Ca 0.00 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.13 4.56 0.02 1.61 1.01 -0.44 -4.02 120.40 121.02 2joe s VAL 69 Ca 0.37 0.87 0.06 0.00 0.00 0.00 0.00 61.98 63.27 2joe s VAL 69 Cb 0.31 -4.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 2joe s VAL 69 CO 0.07 -0.68 -0.18 -1.83 0.00 0.00 0.00 175.10 172.49 2joe s GLU 70 N 3.54 1.26 -0.39 2.72 -1.05 0.16 -4.38 118.70 120.56 2joe s GLU 70 Ca 0.36 -0.77 -0.08 0.00 -0.15 0.00 0.00 54.97 54.33 2joe s GLU 70 Cb -0.11 -1.29 0.06 0.00 -0.44 0.00 0.00 34.13 32.35 2joe s GLU 70 CO 0.22 0.34 0.20 -2.00 0.95 0.00 0.00 175.26 174.97 2joe s GLU 71 N -0.88 2.62 -0.44 -4.83 2.12 -1.26 -0.21 118.70 115.82 2joe s GLU 71 Ca 0.06 -1.32 -0.15 0.00 0.36 0.00 0.00 54.97 53.92 2joe s GLU 71 Cb -0.08 -3.66 0.05 0.00 0.26 0.00 0.00 34.13 30.70 2joe s GLU 71 CO 0.01 -0.82 0.34 0.21 -0.54 0.00 0.00 175.26 174.46 2joe s LYS 72 N 1.43 2.97 -0.15 4.30 2.47 0.81 -4.86 119.74 126.71 2joe s LYS 72 Ca 0.02 -1.19 -0.25 0.00 -1.56 0.00 0.00 55.97 52.98 2joe s LYS 72 Cb -0.21 -4.05 -0.02 0.00 -1.46 0.00 0.00 37.83 32.09 2joe s LYS 72 CO 0.03 -0.89 0.82 -0.51 0.16 0.00 0.00 175.35 174.96 2joe s LEU 73 N 1.66 4.20 -0.17 5.43 1.43 -1.26 -0.63 118.68 129.33 2joe s LEU 73 Ca 0.04 1.20 0.01 0.00 -1.03 0.00 0.00 54.13 54.35 2joe s LEU 73 Cb -0.22 -3.23 0.02 0.00 0.03 0.00 0.00 46.19 42.79 2joe s LEU 73 CO 0.08 -0.36 -0.19 0.42 0.23 0.00 0.00 176.35 176.53 2joe s THR 74 N 1.92 2.14 -0.14 5.49 -4.23 -0.27 -4.98 115.64 115.57 2joe s THR 74 Ca 0.39 -0.92 -0.00 0.00 -1.18 0.00 0.00 61.69 59.97 2joe s THR 74 Cb -0.17 -1.89 -0.01 0.00 1.34 0.00 0.00 72.50 71.77 2joe s THR 74 CO 0.14 0.54 -0.12 -0.31 -0.54 0.00 0.00 174.62 174.32 2joe s TYR 75 N 1.20 2.82 0.00 3.99 1.51 -1.26 -0.23 117.35 125.39 2joe s TYR 75 Ca 0.03 -0.70 0.00 0.00 -1.01 0.00 0.00 57.07 55.39 2joe s TYR 75 Cb -0.14 -1.87 0.00 0.00 -0.11 0.00 0.00 41.96 39.85 2joe s TYR 75 CO -0.10 -0.26 0.00 2.41 -1.11 0.00 0.00 175.55 176.49 2joe n THR 76 N 3.66 0.00 0.04 -0.71 -1.04 -1.09 -5.05 114.28 110.09 2joe n THR 76 Ca -0.18 0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 2joe n THR 76 Cb 0.52 -0.80 0.00 0.00 -1.82 0.00 0.00 70.33 68.23 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 -1.32 -0.42 -0.96 8.00 8.00 -1.26 -4.95 116.55 123.64 2joe n ASP 77 Ca 0.00 0.16 0.12 0.00 0.71 0.00 0.00 54.79 55.77 2joe n ASP 77 Cb 0.00 0.57 0.11 0.00 -0.02 0.00 0.00 41.12 41.78 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 -2.73 0.06 -3.75 -3.53 -1.04 -1.26 -4.75 114.28 97.27 2joe n THR 78 Ca 0.00 -0.53 -0.11 0.00 -2.04 0.00 0.00 64.05 61.38 2joe n THR 78 Cb 0.00 1.43 -0.07 0.00 -1.82 0.00 0.00 70.33 69.87 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 -1.89 -0.06 -0.04 -1.42 1.13 -1.26 -1.57 117.35 112.23 2joe s TYR 79 Ca 0.28 -0.18 0.01 0.00 -1.41 0.00 0.00 57.07 55.78 2joe s TYR 79 Cb 0.20 0.09 0.02 0.00 -1.10 0.00 0.00 41.96 41.17 2joe s TYR 79 CO 0.29 -0.55 -0.06 0.00 -2.51 0.00 0.00 175.55 172.72 2joe s ALA 80 N -3.12 0.74 -0.29 9.51 0.00 0.55 -2.67 121.76 126.48 2joe s ALA 80 Ca -0.01 -0.12 -0.12 0.00 0.00 0.00 0.00 51.96 51.71 2joe s ALA 80 Cb 0.01 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 2joe s ALA 80 CO -0.07 0.03 0.23 -0.65 0.00 0.00 0.00 175.76 175.30 2joe s GLN 81 N 0.75 3.89 -1.01 0.00 -0.21 0.69 -0.73 119.66 123.04 2joe s GLN 81 Ca -0.11 -0.31 -0.20 0.00 0.02 0.00 0.00 55.36 54.76 2joe s GLN 81 Cb -0.14 -3.68 0.10 0.00 1.00 0.00 0.00 33.01 30.30 2joe s GLN 81 CO 0.01 -0.24 1.30 -2.00 -2.12 0.00 0.00 175.29 172.25 2joe s GLU 82 N 1.81 3.67 -0.82 2.91 2.12 0.71 -1.11 118.70 127.98 2joe s GLU 82 Ca 0.08 -1.65 -0.23 0.00 0.36 0.00 0.00 54.97 53.53 2joe s GLU 82 Cb -0.16 -5.12 0.07 0.00 0.26 0.00 0.00 34.13 29.18 2joe s GLU 82 CO 0.11 -1.95 1.20 1.21 -0.54 0.00 0.00 175.26 175.29 2joe s ASN 83 N 4.03 6.34 -0.55 -1.70 3.84 0.20 -0.18 114.94 126.91 2joe s ASN 83 Ca 0.39 -1.16 -0.18 0.00 0.21 0.00 0.00 52.86 52.13 2joe s ASN 83 Cb -0.02 -2.49 0.10 0.00 -0.55 0.00 0.00 41.25 38.28 2joe s ASN 83 CO -0.08 -1.50 0.60 -0.69 -2.79 0.00 0.00 177.10 172.65 2joe s VAL 84 N 4.49 4.97 -0.51 -5.21 1.01 0.74 -0.14 120.40 125.75 2joe s VAL 84 Ca 0.34 -1.04 -0.21 0.00 0.00 0.00 0.00 61.98 61.06 2joe s VAL 84 Cb -0.08 -4.38 0.05 0.00 0.00 0.00 0.00 36.38 31.97 2joe s VAL 84 CO 0.03 -0.95 0.74 -0.89 0.00 0.00 0.00 175.10 174.03 2joe s THR 85 N 2.29 4.70 -0.24 3.92 2.01 0.70 0.10 115.64 129.11 2joe s THR 85 Ca 0.09 -0.15 -0.11 0.00 0.31 0.00 0.00 61.69 61.82 2joe s THR 85 Cb -0.25 -4.37 -0.05 0.00 0.01 0.00 0.00 72.50 67.84 2joe s THR 85 CO 0.06 -0.89 0.19 -0.63 -0.69 0.00 0.00 174.62 172.66 2joe s ILE 86 N 3.11 5.33 -0.37 1.82 1.01 0.54 -0.66 121.20 131.99 2joe s ILE 86 Ca 0.21 0.24 -0.20 0.00 0.00 0.00 0.00 60.65 60.90 2joe s ILE 86 Cb -0.16 -3.53 0.01 0.00 0.01 0.00 0.00 42.46 38.78 2joe s ILE 86 CO 0.15 0.32 0.62 -0.62 0.00 0.00 0.00 174.94 175.41 2joe s ASP 87 N 1.17 6.39 0.00 3.58 -1.08 -1.26 -0.83 116.67 124.65 2joe s ASP 87 Ca 0.09 0.05 0.18 0.00 -0.52 0.00 0.00 52.55 52.34 2joe s ASP 87 Cb -0.14 -2.32 0.59 0.00 -1.46 0.00 0.00 42.92 39.59 2joe s ASP 87 CO 0.06 -0.61 1.44 0.23 0.52 0.00 0.00 175.17 176.81 2joe n MET 88 N 6.04 1.81 0.00 4.34 2.81 0.33 -1.26 117.12 131.19 2joe n MET 88 Ca -0.02 -1.23 0.15 0.00 -1.81 0.00 0.00 57.70 54.79 2joe n MET 88 Cb 0.48 -1.36 0.69 0.00 -0.71 0.00 0.00 33.22 32.33 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 0.47 0.98 0.16 0.03 -0.58 -1.25 -4.61 120.64 115.83 2joe n GLU 89 Ca 0.15 -0.31 0.00 0.00 -0.42 0.00 0.00 57.16 56.58 2joe n GLU 89 Cb 0.34 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 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 -0.74 0.00 0.00 3.49 4.81 -1.21 -5.14 118.16 119.37 2joe n LYS 90 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 2joe n LYS 90 Cb 0.24 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.29 2joe n LYS 90 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2joe n VAL 91 N -3.30 0.00 -3.43 3.15 0.31 -0.39 -4.67 118.33 110.01 2joe n VAL 91 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.11 2joe n VAL 91 Cb 0.00 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.82 2joe n VAL 91 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2joe s ASP 92 N -4.00 2.18 0.01 4.52 -1.08 -1.26 -4.46 116.67 112.58 2joe s ASP 92 Ca 0.00 -1.40 0.15 0.00 -0.52 0.00 0.00 52.55 50.78 2joe s ASP 92 Cb 0.00 0.16 0.62 0.00 -1.46 0.00 0.00 42.92 42.25 2joe s ASP 92 CO 0.00 -0.35 1.47 0.49 0.52 0.00 0.00 175.17 177.30 2joe n PHE 93 N 4.73 0.04 -0.09 -5.34 3.72 -1.26 -0.20 117.46 119.05 2joe n PHE 93 Ca 0.04 0.01 -0.16 0.00 -0.05 0.00 0.00 57.45 57.29 2joe n PHE 93 Cb 0.43 -0.52 -0.10 0.00 -0.94 0.00 0.00 39.48 38.35 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 -3.33 116.57 111.78 2joe h LYS 94 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2joe h LYS 94 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2joe h LYS 94 CO 0.00 0.84 0.00 0.00 -0.57 0.00 0.00 179.45 179.72 2joe n ALA 95 N -3.15 1.98 0.27 3.86 0.00 -1.08 -2.81 120.51 119.58 2joe n ALA 95 Ca -0.21 -0.05 0.17 0.00 0.00 0.00 0.00 53.44 53.35 2joe n ALA 95 Cb 0.54 -1.37 0.88 0.00 0.00 0.00 0.00 19.45 19.50 2joe n ALA 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2joe h LEU 96 N 0.00 0.00 -2.32 0.00 5.85 -0.69 -2.01 115.31 116.14 2joe h LEU 96 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2joe h LEU 96 Cb 0.41 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 2joe h LEU 96 CO 0.00 0.00 -0.04 -0.61 -0.34 0.00 0.00 178.44 177.45 2joe h GLN 97 N 0.00 0.00 -0.03 1.25 5.75 -1.70 -1.66 115.11 118.72 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 0.06 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.61 2joe h GLN 97 CO 0.00 0.04 -0.03 0.41 -2.65 0.00 0.00 178.83 176.61 2joe n GLY 98 N -0.91 0.91 0.21 2.39 0.00 -0.75 -4.30 105.19 102.74 2joe n GLY 98 Ca -0.02 -0.68 0.02 0.00 0.00 0.00 0.00 46.02 45.34 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 1.26 0.51 -2.61 -0.61 -5.35 -0.82 -5.00 119.36 106.73 2joe n ILE 99 Ca 0.14 -0.58 -0.41 0.00 -0.27 0.00 0.00 62.75 61.62 2joe n ILE 99 Cb 0.58 0.49 -0.03 0.00 -1.74 0.00 0.00 39.64 38.94 2joe n ILE 99 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2joe s SER 100 N -1.10 6.51 -0.03 7.28 1.04 -0.69 -4.77 113.70 121.94 2joe s SER 100 Ca 0.06 -1.52 0.07 0.00 0.48 0.00 0.00 55.95 55.04 2joe s SER 100 Cb 0.06 -2.55 0.26 0.00 0.10 0.00 0.00 66.02 63.89 2joe s SER 100 CO 0.01 -1.45 1.09 0.61 0.98 0.00 0.00 173.24 174.48 2joe n GLY 101 N 6.67 0.97 3.55 7.32 0.00 -1.26 -4.81 105.19 117.64 2joe n GLY 101 Ca 0.31 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.64 3.60 -0.71 -0.61 1.01 -1.26 -4.88 121.20 116.70 2joe s ILE 102 Ca 0.18 0.36 -0.07 0.00 0.00 0.00 0.00 60.65 61.12 2joe s ILE 102 Cb 0.11 -4.54 -0.12 0.00 0.01 0.00 0.00 42.46 37.93 2joe s ILE 102 CO 0.09 -1.47 3.14 -3.20 0.00 0.00 0.00 174.94 173.51 2joe n ASN 103 N 10.59 6.83 0.00 3.58 5.15 -1.26 -3.91 115.26 136.23 2joe n ASN 103 Ca 0.10 -2.71 0.00 0.00 -0.60 0.00 0.00 54.58 51.37 2joe n ASN 103 Cb 0.50 -1.42 0.00 0.00 -0.53 0.00 0.00 39.78 38.33 2joe n ASN 103 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 2joe n VAL 104 N 2.46 0.00 -3.65 3.44 0.31 -1.26 -5.08 118.33 114.54 2joe n VAL 104 Ca 0.57 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.86 2joe n VAL 104 Cb 0.57 -0.44 -0.06 0.00 -0.91 0.00 0.00 33.84 33.00 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 -3.04 -0.77 0.00 4.52 1.04 -1.25 -5.02 113.70 109.18 2joe s SER 105 Ca 0.00 1.33 0.18 0.00 0.48 0.00 0.00 55.95 57.94 2joe s SER 105 Cb 0.00 1.87 0.99 0.00 0.10 0.00 0.00 66.02 68.98 2joe s SER 105 CO 0.00 -0.22 1.54 0.00 0.98 0.00 0.00 173.24 175.53 2joe n ALA 106 N 5.38 2.05 0.09 5.32 0.00 -1.26 -2.54 120.51 129.55 2joe n ALA 106 Ca -0.11 -0.10 -0.08 0.00 0.00 0.00 0.00 53.44 53.16 2joe n ALA 106 Cb 0.49 -1.30 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 2joe n ALA 106 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2joe h GLU 107 N 0.00 0.15 -0.82 0.00 5.08 -1.96 -3.24 114.58 113.80 2joe h GLU 107 Ca 0.00 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 2joe h GLU 107 Cb 0.11 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 2joe h GLU 107 CO 0.00 0.93 0.47 0.22 -1.00 0.00 0.00 179.01 179.63 2joe h ASP 108 N 0.08 1.00 0.49 1.42 1.82 -1.91 0.83 116.42 120.15 2joe h ASP 108 Ca -0.04 -0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.52 2joe h ASP 108 Cb 1.51 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 41.27 2joe h ASP 108 CO 0.13 0.79 0.00 0.00 -1.61 0.00 0.00 179.24 178.55 2joe n ALA 109 N -2.37 1.65 -0.08 -0.78 0.00 -1.22 -1.77 120.51 115.94 2joe n ALA 109 Ca 0.08 -0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 2joe n ALA 109 Cb 0.07 -1.23 -0.14 0.00 0.00 0.00 0.00 19.45 18.15 2joe n ALA 109 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2joe n LYS 110 N -1.51 0.68 0.06 0.00 4.76 0.11 -4.51 118.16 117.74 2joe n LYS 110 Ca 0.03 0.13 -0.08 0.00 -2.87 0.00 0.00 58.31 55.52 2joe n LYS 110 Cb 0.17 -1.60 -0.13 0.00 -1.84 0.00 0.00 35.03 31.63 2joe n LYS 110 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2joe h LYS 111 N 0.01 0.04 0.00 1.97 1.57 -0.57 -3.48 116.57 116.10 2joe h LYS 111 Ca -0.48 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 2joe h LYS 111 Cb 2.08 0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.42 2joe h LYS 111 CO 0.02 0.98 0.00 0.41 -0.57 0.00 0.00 179.45 180.28 2joe n GLY 112 N 1.40 2.89 3.62 3.86 0.00 -0.73 -5.09 105.19 111.15 2joe n GLY 112 Ca -0.03 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 4.07 0.44 -0.61 -1.09 -1.26 -4.90 121.20 117.85 2joe s ILE 113 Ca 0.00 1.16 0.03 0.00 -2.23 0.00 0.00 60.65 59.61 2joe s ILE 113 Cb 0.00 -4.22 -0.02 0.00 -1.58 0.00 0.00 42.46 36.64 2joe s ILE 113 CO 0.00 -0.63 0.11 0.42 -1.23 0.00 0.00 174.94 173.61 2joe s THR 114 N 4.76 0.66 0.13 2.92 -4.23 -1.26 -4.62 115.64 114.00 2joe s THR 114 Ca 0.57 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.98 2joe s THR 114 Cb -0.15 -2.26 -0.10 0.00 1.34 0.00 0.00 72.50 71.34 2joe s THR 114 CO 0.27 0.00 1.40 -0.03 -0.54 0.00 0.00 174.62 175.72 2joe h MET 115 N 1.65 0.82 -0.55 3.99 4.05 -0.78 -2.40 114.93 121.70 2joe h MET 115 Ca -0.37 -0.55 0.08 0.00 -0.28 0.00 0.00 59.70 58.59 2joe h MET 115 Cb 1.29 0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 32.10 2joe h MET 115 CO 0.59 1.17 0.21 0.00 0.23 0.00 0.00 176.91 179.11 2joe h ALA 116 N 0.70 0.70 0.33 0.39 0.00 -1.97 0.10 119.26 119.52 2joe h ALA 116 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2joe h ALA 116 Cb 1.20 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2joe h ALA 116 CO 0.13 -0.20 -0.17 1.96 0.00 0.00 0.00 179.25 180.97 2joe h GLN 117 N 0.39 -0.45 -0.99 0.00 7.50 -1.90 -2.78 115.11 116.88 2joe h GLN 117 Ca 0.27 0.03 0.27 0.00 0.50 0.00 0.00 58.65 59.72 2joe h GLN 117 Cb 0.31 0.10 -0.13 0.00 0.05 0.00 0.00 27.48 27.81 2joe h GLN 117 CO -0.27 -0.30 0.56 0.52 -1.50 0.00 0.00 178.83 177.84 2joe h MET 118 N -0.46 0.46 0.27 1.46 2.86 -1.18 0.39 114.93 118.72 2joe h MET 118 Ca -0.05 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2joe h MET 118 Cb 0.36 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 2joe h MET 118 CO 0.07 0.30 -0.18 0.93 1.06 0.00 0.00 176.91 179.09 2joe h GLU 119 N 0.47 -0.41 -0.40 1.72 4.39 -0.79 0.73 114.58 120.28 2joe h GLU 119 Ca 0.67 0.03 -0.05 0.00 0.34 0.00 0.00 59.36 60.34 2joe h GLU 119 Cb 1.36 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 30.09 2joe h GLU 119 CO -0.53 -0.28 0.02 -0.07 -1.16 0.00 0.00 179.01 177.00 2joe h LEU 120 N -0.43 0.59 -0.19 1.33 4.07 -1.07 -1.54 115.31 118.08 2joe h LEU 120 Ca -0.04 -0.12 -0.10 0.00 0.08 0.00 0.00 57.88 57.71 2joe h LEU 120 Cb 0.35 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 41.93 2joe h LEU 120 CO 0.03 0.64 -0.28 0.58 -1.08 0.00 0.00 178.44 178.34 2joe h VAL 121 N 0.60 1.34 0.00 1.22 2.07 -0.24 -0.15 116.25 121.09 2joe h VAL 121 Ca 0.13 -1.49 -0.17 0.00 0.82 0.00 0.00 66.70 65.99 2joe h VAL 121 Cb 0.34 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 2joe h VAL 121 CO 0.01 0.45 -0.82 0.24 0.02 0.00 0.00 177.57 177.48 2joe h MET 122 N 0.18 0.03 0.00 1.57 2.86 -0.77 -1.97 114.93 116.83 2joe h MET 122 Ca 0.02 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2joe h MET 122 Cb 0.85 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.52 2joe h MET 122 CO 0.06 0.83 0.00 0.87 1.06 0.00 0.00 176.91 179.73 2joe h LYS 123 N 0.02 0.00 0.06 1.72 1.57 -1.22 -0.05 116.57 118.67 2joe h LYS 123 Ca -0.01 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.53 2joe h LYS 123 Cb 1.44 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.74 2joe h LYS 123 CO 0.11 0.00 -1.07 0.00 -0.57 0.00 0.00 179.45 177.92 2joe h ALA 124 N 2.03 0.28 0.00 3.86 0.00 -0.65 -3.18 119.26 121.59 2joe h ALA 124 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.08 2joe h ALA 124 Cb 0.68 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2joe h ALA 124 CO 0.00 0.99 0.00 0.00 0.00 0.00 0.00 179.25 180.24 2joe h ALA 125 N 0.77 1.00 -0.51 0.00 0.00 -0.96 -3.47 119.26 116.09 2joe h ALA 125 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2joe h ALA 125 Cb 1.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2joe h ALA 125 CO 0.17 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.83 2joe n GLY 126 N 0.89 0.99 3.92 0.00 0.00 -0.43 -5.09 105.19 105.47 2joe n GLY 126 Ca 0.04 -0.40 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.51 3.36 -0.04 1.61 0.08 -0.16 -5.02 117.98 115.30 2joe s PHE 127 Ca 0.00 -0.03 0.05 0.00 0.12 0.00 0.00 56.93 57.07 2joe s PHE 127 Cb 0.00 -1.54 -0.01 0.00 -0.57 0.00 0.00 43.02 40.91 2joe s PHE 127 CO 0.00 0.47 -0.18 0.21 -0.10 0.00 0.00 175.22 175.62 2joe s LYS 128 N -3.83 1.77 0.30 0.44 2.20 -1.26 -4.56 119.74 114.80 2joe s LYS 128 Ca 0.34 -0.66 -0.29 0.00 -0.36 0.00 0.00 55.97 55.00 2joe s LYS 128 Cb -0.09 -1.58 -0.10 0.00 -1.51 0.00 0.00 37.83 34.55 2joe s LYS 128 CO 0.28 0.31 1.24 -1.21 -0.36 0.00 0.00 175.35 175.60 2joe s GLU 129 N -0.13 4.45 -0.01 4.03 8.01 -1.26 -2.88 118.70 130.91 2joe s GLU 129 Ca -0.00 2.06 0.02 0.00 0.01 0.00 0.00 54.97 57.06 2joe s GLU 129 Cb -0.10 -3.13 -0.03 0.00 -4.31 0.00 0.00 34.13 26.56 2joe s GLU 129 CO 0.01 -0.07 0.03 0.28 0.01 0.00 0.00 175.26 175.52 2joe n VAL 130 N 1.18 0.05 -4.03 2.63 0.31 0.35 -4.90 118.33 113.91 2joe n VAL 130 Ca 0.00 -0.06 0.01 0.00 -0.01 0.00 0.00 64.34 64.29 2joe n VAL 130 Cb 0.43 -0.08 -0.00 0.00 -0.91 0.00 0.00 33.84 33.28 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 -1.76 -0.21 -3.65 5.55 4.76 0.47 -4.70 118.16 118.63 2joe n LYS 131 Ca -0.01 0.14 -0.39 0.00 -2.87 0.00 0.00 58.31 55.17 2joe n LYS 131 Cb 0.24 -0.25 -0.11 0.00 -1.84 0.00 0.00 35.03 33.07 2joe n LYS 131 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2joe s LEU 132 N 0.00 4.95 0.25 -0.35 1.02 -1.26 -4.23 118.68 119.05 2joe s LEU 132 Ca 0.00 -1.44 0.13 0.00 0.02 0.00 0.00 54.13 52.85 2joe s LEU 132 Cb 0.00 -1.95 0.04 0.00 0.02 0.00 0.00 46.19 44.30 2joe s LEU 132 CO 0.00 -0.48 1.43 -0.08 0.02 0.00 0.00 176.35 177.23 2joe h GLU 133 N 8.34 0.00 -1.86 1.70 4.81 -2.00 -3.37 114.58 122.20 2joe h GLU 133 Ca -0.22 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.70 2joe h GLU 133 Cb 1.08 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.35 2joe h GLU 133 CO 0.71 0.62 0.16 0.72 -0.73 0.00 0.00 179.01 180.49 2joe n HIS 134 N -3.28 0.97 0.00 0.92 8.25 -1.26 -4.90 115.22 115.92 2joe n HIS 134 Ca 0.01 -1.71 0.00 0.00 -0.26 0.00 0.00 57.72 55.77 2joe n HIS 134 Cb 0.77 -1.18 0.00 0.00 1.12 0.00 0.00 29.99 30.70 2joe n HIS 134 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2joe n HIS 135 N 1.20 0.00 -3.86 4.41 8.25 -1.26 -4.65 115.22 119.31 2joe n HIS 135 Ca 0.35 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.72 2joe n HIS 135 Cb 0.64 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.68 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 0.00 0.18 0.00 4.41 3.76 -1.26 -4.98 115.29 117.39 2joe s HIS 136 Ca 0.00 -0.56 0.19 0.00 -0.15 0.00 0.00 55.06 54.53 2joe s HIS 136 Cb 0.00 0.01 0.31 0.00 1.11 0.00 0.00 32.58 34.01 2joe s HIS 136 CO 0.00 -0.65 1.11 1.58 -0.85 0.00 0.00 174.74 175.93 2joe n HIS 137 N -0.15 0.00 0.05 1.40 -0.00 -1.26 -4.97 115.22 110.29 2joe n HIS 137 Ca -0.12 -0.41 0.00 0.00 0.46 0.00 0.00 57.72 57.65 2joe n HIS 137 Cb 0.63 -0.06 0.00 0.00 -0.12 0.00 0.00 29.99 30.44 2joe n HIS 137 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2joe n HIS 138 N 0.36 -2.24 0.82 1.57 -0.00 -1.26 -5.19 115.22 109.27 2joe n HIS 138 Ca 0.01 0.35 0.10 0.00 0.46 0.00 0.00 57.72 58.64 2joe n HIS 138 Cb 1.02 1.12 0.08 0.00 -0.12 0.00 0.00 29.99 32.08 2joe n HIS 138 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52