#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 3.21 0.00 -5.12 0.00 -1.26 -4.77 105.19 97.25 2joe n GLY 2 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.21 2joe n GLY 2 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2joe n ASP 3 N -0.28 0.00 -4.13 1.61 5.68 -1.26 -4.99 116.55 113.18 2joe n ASP 3 Ca 0.20 -1.00 -0.34 0.00 -0.50 0.00 0.00 54.79 53.16 2joe n ASP 3 Cb 0.78 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.61 2joe n ASP 3 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 2joe s LYS 4 N 0.00 2.41 -0.29 0.11 2.20 -1.26 -4.64 119.74 118.27 2joe s LYS 4 Ca 0.00 -1.25 -0.10 0.00 -0.36 0.00 0.00 55.97 54.25 2joe s LYS 4 Cb 0.00 -3.01 0.01 0.00 -1.51 0.00 0.00 37.83 33.32 2joe s LYS 4 CO 0.00 -0.56 0.40 -1.91 -0.36 0.00 0.00 175.35 172.92 2joe n GLU 5 N 4.55 -1.57 -3.72 4.03 2.13 -1.25 -5.03 120.64 119.78 2joe n GLU 5 Ca -0.14 1.57 -0.37 0.00 0.66 0.00 0.00 57.16 58.88 2joe n GLU 5 Cb 0.43 -4.29 -0.06 0.00 0.27 0.00 0.00 31.44 27.79 2joe n GLU 5 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2joe s GLU 6 N -2.09 3.76 -0.39 5.31 2.02 -0.79 -4.93 118.70 121.59 2joe s GLU 6 Ca 0.16 0.03 -0.16 0.00 0.02 0.00 0.00 54.97 55.03 2joe s GLU 6 Cb -0.05 -3.26 0.01 0.00 0.10 0.00 0.00 34.13 30.93 2joe s GLU 6 CO 0.51 0.63 0.37 0.45 0.02 0.00 0.00 175.26 177.24 2joe s SER 7 N -0.67 6.16 -0.51 -0.19 0.15 -1.26 -1.79 113.70 115.59 2joe s SER 7 Ca 0.17 -0.55 -0.02 0.00 0.70 0.00 0.00 55.95 56.24 2joe s SER 7 Cb -0.13 -2.20 0.13 0.00 -1.71 0.00 0.00 66.02 62.11 2joe s SER 7 CO 0.06 -0.45 0.30 -0.75 1.20 0.00 0.00 173.24 173.60 2joe s LYS 8 N 1.98 2.22 -0.23 5.44 2.47 -0.22 -2.23 119.74 129.17 2joe s LYS 8 Ca 0.10 -2.19 -0.15 0.00 -1.56 0.00 0.00 55.97 52.18 2joe s LYS 8 Cb -0.17 -3.61 -0.04 0.00 -1.46 0.00 0.00 37.83 32.54 2joe s LYS 8 CO 0.12 -1.11 0.35 0.21 0.16 0.00 0.00 175.35 175.08 2joe s LYS 9 N 0.51 4.12 -0.09 4.03 2.20 -1.02 -0.82 119.74 128.66 2joe s LYS 9 Ca 0.13 0.08 -0.02 0.00 -0.36 0.00 0.00 55.97 55.80 2joe s LYS 9 Cb -0.22 -3.57 -0.03 0.00 -1.51 0.00 0.00 37.83 32.50 2joe s LYS 9 CO -0.04 -0.08 0.01 -0.59 -0.36 0.00 0.00 175.35 174.29 2joe s PHE 10 N 1.46 3.17 -0.03 4.03 -0.12 -0.40 0.35 117.98 126.45 2joe s PHE 10 Ca 0.16 0.20 0.01 0.00 -0.05 0.00 0.00 56.93 57.25 2joe s PHE 10 Cb -0.15 -1.80 0.02 0.00 -0.63 0.00 0.00 43.02 40.47 2joe s PHE 10 CO 0.08 0.47 -0.02 0.45 -0.05 0.00 0.00 175.22 176.15 2joe s SER 11 N -0.87 0.58 -0.04 1.98 0.15 -0.22 -1.06 113.70 114.21 2joe s SER 11 Ca 0.13 -0.06 0.01 0.00 0.70 0.00 0.00 55.95 56.72 2joe s SER 11 Cb -0.11 -0.27 0.02 0.00 -1.71 0.00 0.00 66.02 63.95 2joe s SER 11 CO 0.02 -0.06 -0.03 0.00 1.20 0.00 0.00 173.24 174.37 2joe s ALA 12 N 0.82 0.62 -0.52 5.45 0.00 0.98 -2.46 121.76 126.66 2joe s ALA 12 Ca -0.09 -0.03 -0.12 0.00 0.00 0.00 0.00 51.96 51.72 2joe s ALA 12 Cb -0.12 -0.43 0.13 0.00 0.00 0.00 0.00 23.12 22.69 2joe s ALA 12 CO -0.01 -0.06 0.43 -0.80 0.00 0.00 0.00 175.76 175.32 2joe s ASN 13 N 1.01 5.93 -0.00 0.00 -0.87 -1.26 -0.50 114.94 119.24 2joe s ASN 13 Ca -0.10 -1.95 0.01 0.00 -1.57 0.00 0.00 52.86 49.26 2joe s ASN 13 Cb -0.14 -2.09 -0.00 0.00 -0.02 0.00 0.00 41.25 39.00 2joe s ASN 13 CO -0.01 -0.74 -0.02 -1.48 -2.57 0.00 0.00 177.10 172.28 2joe s LEU 14 N 1.33 2.01 -1.88 0.60 0.05 -1.01 -4.85 118.68 114.93 2joe s LEU 14 Ca 0.06 -0.05 0.00 0.00 0.05 0.00 0.00 54.13 54.19 2joe s LEU 14 Cb -0.26 -0.12 0.00 0.00 -2.05 0.00 0.00 46.19 43.75 2joe s LEU 14 CO 0.00 0.03 0.00 -3.20 -0.55 0.00 0.00 176.35 172.63 2joe n ASN 15 N 3.00 -5.71 -0.18 1.48 5.15 -1.26 0.14 115.26 117.88 2joe n ASN 15 Ca -0.13 0.15 -0.02 0.00 -0.60 0.00 0.00 54.58 53.98 2joe n ASN 15 Cb 0.59 -4.84 -0.01 0.00 -0.53 0.00 0.00 39.78 34.99 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 -0.82 0.55 3.03 8.20 0.00 -1.26 -4.75 105.19 110.14 2joe n GLY 16 Ca -0.23 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 2joe n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2joe s THR 17 N -1.91 2.56 -0.81 2.61 2.01 0.12 -1.16 115.64 119.06 2joe s THR 17 Ca 0.00 -2.42 -0.24 0.00 0.31 0.00 0.00 61.69 59.35 2joe s THR 17 Cb 0.00 -2.84 0.06 0.00 0.01 0.00 0.00 72.50 69.73 2joe s THR 17 CO 0.00 -0.65 1.22 -1.61 -0.69 0.00 0.00 174.62 172.89 2joe s GLU 18 N 0.79 3.32 -0.18 4.92 2.02 0.15 -2.39 118.70 127.32 2joe s GLU 18 Ca 0.11 -0.82 -0.18 0.00 0.02 0.00 0.00 54.97 54.10 2joe s GLU 18 Cb -0.21 -4.58 -0.03 0.00 0.10 0.00 0.00 34.13 29.41 2joe s GLU 18 CO -0.06 -2.02 0.51 0.42 0.02 0.00 0.00 175.26 174.13 2joe s ILE 19 N 4.69 5.12 -0.27 -1.63 1.01 0.34 -0.80 121.20 129.66 2joe s ILE 19 Ca 0.34 0.96 -0.03 0.00 0.00 0.00 0.00 60.65 61.92 2joe s ILE 19 Cb -0.08 -3.84 0.09 0.00 0.01 0.00 0.00 42.46 38.64 2joe s ILE 19 CO 0.04 0.20 0.09 0.00 0.00 0.00 0.00 174.94 175.28 2joe s ALA 20 N 1.46 1.02 -0.35 9.38 0.00 0.76 -0.01 121.76 134.02 2joe s ALA 20 Ca 0.24 -1.15 -0.18 0.00 0.00 0.00 0.00 51.96 50.87 2joe s ALA 20 Cb -0.15 -1.40 -0.00 0.00 0.00 0.00 0.00 23.12 21.56 2joe s ALA 20 CO 0.10 -1.52 0.52 0.42 0.00 0.00 0.00 175.76 175.28 2joe s ILE 21 N 1.88 5.01 -0.50 0.00 1.01 -0.23 -2.11 121.20 126.26 2joe s ILE 21 Ca 0.07 0.35 -0.13 0.00 0.00 0.00 0.00 60.65 60.94 2joe s ILE 21 Cb -0.17 -3.97 0.12 0.00 0.01 0.00 0.00 42.46 38.46 2joe s ILE 21 CO -0.24 -0.22 0.42 -0.89 0.00 0.00 0.00 174.94 174.01 2joe s THR 22 N 2.40 4.76 -0.18 2.92 2.01 0.14 -1.27 115.64 126.42 2joe s THR 22 Ca 0.19 -1.58 -0.06 0.00 0.31 0.00 0.00 61.69 60.55 2joe s THR 22 Cb -0.15 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.26 2joe s THR 22 CO 0.13 -0.79 0.02 -0.72 -0.69 0.00 0.00 174.62 172.57 2joe s TYR 23 N 1.50 3.12 -0.29 4.92 1.13 -0.00 0.08 117.35 127.81 2joe s TYR 23 Ca 0.04 -0.18 -0.17 0.00 -1.41 0.00 0.00 57.07 55.35 2joe s TYR 23 Cb -0.28 -2.06 -0.02 0.00 -1.10 0.00 0.00 41.96 38.50 2joe s TYR 23 CO 0.02 -0.03 0.46 0.08 -2.51 0.00 0.00 175.55 173.57 2joe s VAL 24 N 0.61 5.10 0.25 -3.49 1.01 0.38 -1.06 120.40 123.21 2joe s VAL 24 Ca 0.01 0.61 0.05 0.00 0.00 0.00 0.00 61.98 62.65 2joe s VAL 24 Cb -0.14 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 2joe s VAL 24 CO 0.02 0.03 -0.05 -0.72 0.00 0.00 0.00 175.10 174.39 2joe s TYR 25 N 2.23 1.77 -0.29 5.22 1.13 -0.74 -1.26 117.35 125.41 2joe s TYR 25 Ca 0.18 -0.77 -0.03 0.00 -1.41 0.00 0.00 57.07 55.04 2joe s TYR 25 Cb -0.16 -1.00 0.11 0.00 -1.10 0.00 0.00 41.96 39.81 2joe s TYR 25 CO 0.10 0.16 0.19 0.15 -2.51 0.00 0.00 175.55 173.65 2joe s LYS 26 N -3.77 0.25 3.17 -3.49 1.02 -0.41 -1.88 119.74 114.63 2joe s LYS 26 Ca 0.28 -0.42 0.00 0.00 0.02 0.00 0.00 55.97 55.85 2joe s LYS 26 Cb 0.04 -0.99 0.00 0.00 -0.52 0.00 0.00 37.83 36.37 2joe s LYS 26 CO 0.10 -1.03 0.00 0.41 -0.92 0.00 0.00 175.35 173.91 2joe n GLY 27 N 5.22 0.35 0.42 -3.33 0.00 -1.26 -3.38 105.19 103.21 2joe n GLY 27 Ca -0.04 -1.09 0.08 0.00 0.00 0.00 0.00 46.02 44.98 2joe n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2joe n ASP 28 N 2.94 1.24 -4.32 1.61 8.00 -1.26 -4.75 116.55 120.01 2joe n ASP 28 Ca 0.00 -1.73 -0.38 0.00 0.71 0.00 0.00 54.79 53.39 2joe n ASP 28 Cb 0.00 -0.10 -0.12 0.00 -0.02 0.00 0.00 41.12 40.88 2joe n ASP 28 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2joe s LYS 29 N -1.80 2.86 -0.08 -1.24 2.36 -1.22 -1.32 119.74 119.31 2joe s LYS 29 Ca 0.27 -1.02 -0.29 0.00 -2.55 0.00 0.00 55.97 52.38 2joe s LYS 29 Cb 0.14 -3.45 -0.02 0.00 -1.05 0.00 0.00 37.83 33.45 2joe s LYS 29 CO 0.21 -0.57 0.96 0.08 1.55 0.00 0.00 175.35 177.58 2joe s VAL 30 N 1.46 4.84 -0.11 4.02 1.01 -1.26 -1.28 120.40 129.07 2joe s VAL 30 Ca 0.01 1.97 0.06 0.00 0.00 0.00 0.00 61.98 64.02 2joe s VAL 30 Cb -0.18 -4.28 -0.11 0.00 0.00 0.00 0.00 36.38 31.80 2joe s VAL 30 CO 0.03 0.07 -0.02 0.18 0.00 0.00 0.00 175.10 175.37 2joe n LEU 31 N 4.59 1.02 -4.13 3.92 4.77 -0.92 -4.72 117.00 121.52 2joe n LEU 31 Ca 0.07 -0.02 -0.18 0.00 -0.03 0.00 0.00 56.01 55.84 2joe n LEU 31 Cb 0.50 0.01 -0.13 0.00 -2.33 0.00 0.00 43.42 41.47 2joe n LEU 31 CO 0.51 0.41 -0.45 -0.54 -1.33 0.00 0.00 177.39 176.00 2joe s LYS 32 N -2.25 0.80 -0.01 3.23 -0.14 -0.39 -0.58 119.74 120.41 2joe s LYS 32 Ca -0.09 -0.80 0.02 0.00 -1.36 0.00 0.00 55.97 53.73 2joe s LYS 32 Cb 0.04 -0.77 -0.00 0.00 -1.68 0.00 0.00 37.83 35.41 2joe s LYS 32 CO 0.38 0.18 -0.05 -1.14 -0.76 0.00 0.00 175.35 173.96 2joe s GLN 33 N -1.38 0.42 -0.23 1.68 0.74 0.95 -0.47 119.66 121.37 2joe s GLN 33 Ca -0.02 -0.17 0.01 0.00 0.05 0.00 0.00 55.36 55.24 2joe s GLN 33 Cb -0.09 -0.41 0.05 0.00 1.10 0.00 0.00 33.01 33.67 2joe s GLN 33 CO 0.01 0.10 -0.08 -1.12 -0.55 0.00 0.00 175.29 173.65 2joe s SER 34 N -0.07 3.85 -0.58 6.67 0.01 0.11 0.08 113.70 123.78 2joe s SER 34 Ca 0.01 -1.14 -0.17 0.00 1.31 0.00 0.00 55.95 55.96 2joe s SER 34 Cb -0.02 -1.29 0.12 0.00 0.21 0.00 0.00 66.02 65.04 2joe s SER 34 CO -0.00 -0.19 0.61 -0.44 0.41 0.00 0.00 173.24 173.62 2joe s SER 35 N 1.32 6.21 -0.31 2.44 0.01 0.15 0.25 113.70 123.77 2joe s SER 35 Ca -0.05 -1.66 -0.01 0.00 1.31 0.00 0.00 55.95 55.54 2joe s SER 35 Cb -0.18 -2.25 0.06 0.00 0.21 0.00 0.00 66.02 63.85 2joe s SER 35 CO -0.07 -0.97 0.02 -0.70 0.41 0.00 0.00 173.24 171.93 2joe s GLU 36 N 2.07 2.33 -0.09 12.44 2.12 -0.90 -0.33 118.70 136.34 2joe s GLU 36 Ca 0.08 -1.36 0.00 0.00 0.36 0.00 0.00 54.97 54.05 2joe s GLU 36 Cb -0.27 -3.21 -0.03 0.00 0.26 0.00 0.00 34.13 30.89 2joe s GLU 36 CO 0.04 -0.68 -0.09 0.95 -0.54 0.00 0.00 175.26 174.94 2joe s THR 37 N 1.22 3.53 -0.47 -1.70 -4.23 0.74 -0.17 115.64 114.56 2joe s THR 37 Ca -0.03 -0.53 -0.08 0.00 -1.18 0.00 0.00 61.69 59.87 2joe s THR 37 Cb -0.20 -2.45 0.12 0.00 1.34 0.00 0.00 72.50 71.31 2joe s THR 37 CO -0.02 0.57 0.33 -0.75 -0.54 0.00 0.00 174.62 174.21 2joe s LYS 38 N -0.45 2.42 -0.26 3.99 2.20 0.02 -0.09 119.74 127.57 2joe s LYS 38 Ca 0.06 -1.80 -0.15 0.00 -0.36 0.00 0.00 55.97 53.72 2joe s LYS 38 Cb -0.12 -3.88 -0.04 0.00 -1.51 0.00 0.00 37.83 32.28 2joe s LYS 38 CO 0.02 -1.18 0.36 0.42 -0.36 0.00 0.00 175.35 174.61 2joe s ILE 39 N 1.28 5.19 0.36 5.43 1.09 0.47 -0.67 121.20 134.35 2joe s ILE 39 Ca 0.07 0.54 -0.26 0.00 -1.10 0.00 0.00 60.65 59.90 2joe s ILE 39 Cb -0.25 -3.68 -0.09 0.00 -1.06 0.00 0.00 42.46 37.37 2joe s ILE 39 CO -0.01 0.18 1.10 -1.10 -0.10 0.00 0.00 174.94 175.01 2joe s GLN 40 N 1.95 4.27 0.45 2.79 -1.52 -0.31 -0.32 119.66 126.98 2joe s GLN 40 Ca 0.14 1.70 0.12 0.00 -1.95 0.00 0.00 55.36 55.38 2joe s GLN 40 Cb -0.16 -2.78 1.03 0.00 -0.22 0.00 0.00 33.01 30.88 2joe s GLN 40 CO 0.10 -0.09 2.06 0.74 -0.25 0.00 0.00 175.29 177.84 2joe h PHE 41 N 2.94 0.35 0.00 0.91 -1.00 -1.87 -0.78 116.94 117.48 2joe h PHE 41 Ca -0.48 0.01 -0.08 0.00 2.81 0.00 0.00 57.97 60.23 2joe h PHE 41 Cb 1.22 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 40.65 2joe h PHE 41 CO 0.57 0.20 -0.38 0.00 -1.61 0.00 0.00 178.31 177.10 2joe h ALA 42 N 1.79 1.38 0.13 2.45 0.00 -1.88 0.24 119.26 123.37 2joe h ALA 42 Ca 0.15 -0.34 -0.20 0.00 0.00 0.00 0.00 54.91 54.52 2joe h ALA 42 Cb 0.16 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.91 2joe h ALA 42 CO -0.03 0.47 -0.87 0.77 0.00 0.00 0.00 179.25 179.59 2joe h SER 43 N 0.00 0.54 0.95 0.00 0.02 -1.46 -3.26 113.55 110.35 2joe h SER 43 Ca -0.00 -0.91 -0.08 0.00 -0.84 0.00 0.00 61.79 59.96 2joe h SER 43 Cb 0.66 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 2joe h SER 43 CO 0.05 1.41 -0.38 -0.29 -1.14 0.00 0.00 176.83 176.47 2joe h ILE 44 N -0.23 0.85 0.00 3.27 2.10 -1.38 -3.47 117.51 118.64 2joe h ILE 44 Ca -0.14 -1.59 0.00 0.00 1.08 0.00 0.00 64.86 64.20 2joe h ILE 44 Cb 1.65 1.99 0.00 0.00 -1.09 0.00 0.00 36.82 39.37 2joe h ILE 44 CO 0.16 0.37 0.00 0.61 -1.08 0.00 0.00 178.15 178.22 2joe n GLY 45 N 0.38 0.42 3.79 8.18 0.00 0.04 -5.03 105.19 112.97 2joe n GLY 45 Ca 0.00 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.69 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 3.03 -0.16 4.61 0.00 -0.98 -4.99 121.76 121.28 2joe s ALA 46 Ca 0.00 0.67 -0.25 0.00 0.00 0.00 0.00 51.96 52.38 2joe s ALA 46 Cb 0.00 -3.26 -0.23 0.00 0.00 0.00 0.00 23.12 19.62 2joe s ALA 46 CO 0.00 -0.22 0.54 1.15 0.00 0.00 0.00 175.76 177.23 2joe h THR 47 N 2.04 1.38 -4.51 0.00 2.02 -1.90 -3.46 112.91 108.49 2joe h THR 47 Ca -0.49 -2.29 -0.43 0.00 0.77 0.00 0.00 66.41 63.98 2joe h THR 47 Cb 1.21 2.87 -0.11 0.00 -1.74 0.00 0.00 68.15 70.39 2joe h THR 47 CO 0.61 0.50 -0.41 0.35 0.37 0.00 0.00 175.52 176.95 2joe n THR 48 N -4.48 0.00 0.12 3.16 -2.24 -1.26 -5.02 114.28 104.57 2joe n THR 48 Ca -0.20 -2.11 0.01 0.00 -2.27 0.00 0.00 64.05 59.48 2joe n THR 48 Cb 0.60 1.01 0.35 0.00 -2.10 0.00 0.00 70.33 70.19 2joe n THR 48 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2joe h LYS 49 N 0.00 0.21 -0.21 -0.78 2.10 -1.91 0.13 116.57 116.10 2joe h LYS 49 Ca -0.21 -0.06 -0.11 0.00 -2.00 0.00 0.00 60.65 58.27 2joe h LYS 49 Cb 1.04 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 32.35 2joe h LYS 49 CO 0.32 0.42 -0.29 1.49 -2.00 0.00 0.00 179.45 179.39 2joe h GLU 50 N 0.19 0.56 -0.03 0.07 4.81 -1.96 -2.26 114.58 115.96 2joe h GLU 50 Ca 0.03 -0.33 -0.05 0.00 -0.13 0.00 0.00 59.36 58.89 2joe h GLU 50 Cb 0.50 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 2joe h GLU 50 CO 0.03 0.93 -0.21 0.22 -0.73 0.00 0.00 179.01 179.26 2joe h ASP 51 N 0.24 0.05 -0.46 1.04 3.58 -1.87 -0.90 116.42 118.11 2joe h ASP 51 Ca 0.02 -0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.42 2joe h ASP 51 Cb 0.87 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.88 2joe h ASP 51 CO 0.07 0.26 0.11 0.00 -2.88 0.00 0.00 179.24 176.80 2joe h ALA 52 N 1.74 0.60 -0.31 -0.78 0.00 -0.83 -2.91 119.26 116.78 2joe h ALA 52 Ca 0.01 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 2joe h ALA 52 Cb 0.40 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2joe h ALA 52 CO 0.03 0.28 -0.07 0.00 0.00 0.00 0.00 179.25 179.49 2joe h ALA 53 N 0.98 0.43 0.00 0.00 0.00 -0.72 0.95 119.26 120.90 2joe h ALA 53 Ca 0.14 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2joe h ALA 53 Cb 0.32 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2joe h ALA 53 CO 0.00 0.26 0.00 0.36 0.00 0.00 0.00 179.25 179.87 2joe n LYS 54 N -4.46 0.09 -0.12 0.00 2.85 -0.43 -0.10 118.16 115.99 2joe n LYS 54 Ca -0.03 0.50 -0.22 0.00 -1.05 0.00 0.00 58.31 57.51 2joe n LYS 54 Cb 0.32 -1.75 -0.11 0.00 -0.65 0.00 0.00 35.03 32.83 2joe n LYS 54 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2joe n THR 55 N -1.95 1.53 0.10 0.58 -1.04 -0.93 -4.64 114.28 107.93 2joe n THR 55 Ca 0.00 -0.49 -0.20 0.00 -2.04 0.00 0.00 64.05 61.32 2joe n THR 55 Cb 0.09 -1.63 -0.15 0.00 -1.82 0.00 0.00 70.33 66.82 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 -0.37 0.58 -0.13 -4.42 3.38 -0.24 -3.37 115.31 110.73 2joe h LEU 56 Ca -0.60 -0.70 0.05 0.00 0.09 0.00 0.00 57.88 56.72 2joe h LEU 56 Cb 1.79 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 42.29 2joe h LEU 56 CO -0.19 1.56 -0.26 -0.33 0.09 0.00 0.00 178.44 179.31 2joe h GLU 57 N 0.10 -0.31 -1.43 1.13 5.08 -0.73 -0.00 114.58 118.42 2joe h GLU 57 Ca -0.24 0.02 0.42 0.00 -1.00 0.00 0.00 59.36 58.56 2joe h GLU 57 Cb 2.07 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 31.31 2joe h GLU 57 CO 0.21 -0.21 1.00 -1.35 -1.00 0.00 0.00 179.01 177.66 2joe h PRO 58 N -0.32 0.06 0.00 2.33 0.11 -1.78 0.26 132.00 132.65 2joe h PRO 58 Ca 0.10 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 2joe h PRO 58 Cb 0.48 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 2joe h PRO 58 CO -0.32 0.04 -0.17 -0.07 -0.21 0.00 0.00 178.00 177.27 2joe h LEU 59 N 0.06 0.00 -1.58 2.35 4.07 -1.23 -3.38 115.31 115.60 2joe h LEU 59 Ca 0.73 -0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.64 2joe h LEU 59 Cb 2.68 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 44.41 2joe h LEU 59 CO -0.12 0.58 -0.22 0.28 -1.08 0.00 0.00 178.44 177.88 2joe h SER 60 N -1.00 0.00 0.22 -0.43 0.02 -0.87 -2.27 113.55 109.22 2joe h SER 60 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2joe h SER 60 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 2joe h SER 60 CO -0.00 0.22 0.00 0.00 -1.14 0.00 0.00 176.83 175.91 2joe n ALA 61 N -2.38 2.07 0.52 3.77 0.00 0.87 -2.03 120.51 123.33 2joe n ALA 61 Ca -0.02 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.45 2joe n ALA 61 Cb 0.31 -1.30 0.45 0.00 0.00 0.00 0.00 19.45 18.90 2joe n ALA 61 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2joe n LYS 62 N -1.18 0.23 0.04 0.00 5.02 -0.86 -3.32 118.16 118.10 2joe n LYS 62 Ca 0.11 0.31 -0.06 0.00 -2.02 0.00 0.00 58.31 56.65 2joe n LYS 62 Cb 0.12 -1.84 -0.11 0.00 -0.02 0.00 0.00 35.03 33.18 2joe n LYS 62 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2joe h TYR 63 N 0.00 0.00 0.00 2.13 0.05 -1.63 -3.39 116.97 114.13 2joe h TYR 63 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2joe h TYR 63 Cb 0.56 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.30 2joe h TYR 63 CO 0.00 0.92 0.00 0.36 -1.05 0.00 0.00 178.16 178.39 2joe n LYS 64 N -3.20 0.80 0.00 4.88 2.85 -1.21 -1.13 118.16 121.15 2joe n LYS 64 Ca -0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.20 2joe n LYS 64 Cb 0.95 -1.10 0.00 0.00 -0.65 0.00 0.00 35.03 34.23 2joe n LYS 64 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2joe n ASN 65 N 1.03 0.72 -1.91 -5.58 2.85 -1.26 -5.10 115.26 106.01 2joe n ASN 65 Ca 0.00 -0.22 0.00 0.00 -0.11 0.00 0.00 54.58 54.25 2joe n ASN 65 Cb 0.40 0.58 0.00 0.00 1.24 0.00 0.00 39.78 42.00 2joe n ASN 65 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 2joe n ILE 66 N -0.65 0.00 -3.64 -1.44 5.41 -0.28 -5.06 119.36 113.70 2joe n ILE 66 Ca 0.00 0.00 -0.36 0.00 1.00 0.00 0.00 62.75 63.39 2joe n ILE 66 Cb 0.00 -1.52 -0.08 0.00 -0.71 0.00 0.00 39.64 37.33 2joe n ILE 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2joe s ALA 67 N -3.05 3.64 -1.86 -1.39 0.00 -1.26 -4.42 121.76 113.42 2joe s ALA 67 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.36 2joe s ALA 67 Cb 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 23.12 20.84 2joe s ALA 67 CO 0.00 0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.27 2joe n GLY 68 N 3.52 0.64 3.68 0.00 0.00 -1.26 -3.58 105.19 108.19 2joe n GLY 68 Ca -0.14 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.86 4.55 -0.27 1.61 -7.23 -1.25 -1.69 120.40 113.26 2joe s VAL 69 Ca 0.00 -0.14 -0.02 0.00 -1.81 0.00 0.00 61.98 60.01 2joe s VAL 69 Cb 0.00 -2.97 0.09 0.00 0.56 0.00 0.00 36.38 34.06 2joe s VAL 69 CO 0.00 0.56 0.08 -1.61 -0.31 0.00 0.00 175.10 173.82 2joe s GLU 70 N -0.47 0.60 -0.73 4.82 2.02 0.65 -4.83 118.70 120.76 2joe s GLU 70 Ca 0.09 -0.76 -0.24 0.00 0.02 0.00 0.00 54.97 54.09 2joe s GLU 70 Cb -0.12 -1.88 0.06 0.00 0.10 0.00 0.00 34.13 32.30 2joe s GLU 70 CO 0.02 -0.88 1.10 -1.83 0.02 0.00 0.00 175.26 173.70 2joe s GLU 71 N 1.79 3.21 -0.51 1.61 1.03 -1.26 -0.12 118.70 124.44 2joe s GLU 71 Ca 0.06 -0.76 -0.16 0.00 0.03 0.00 0.00 54.97 54.15 2joe s GLU 71 Cb -0.17 -4.35 0.10 0.00 -0.80 0.00 0.00 34.13 28.92 2joe s GLU 71 CO -0.22 -1.94 0.45 0.21 -1.33 0.00 0.00 175.26 172.43 2joe s LYS 72 N 4.51 2.98 -0.50 -4.83 2.20 -0.35 -5.00 119.74 118.74 2joe s LYS 72 Ca 0.28 -1.55 -0.19 0.00 -0.36 0.00 0.00 55.97 54.16 2joe s LYS 72 Cb -0.12 -4.22 0.06 0.00 -1.51 0.00 0.00 37.83 32.04 2joe s LYS 72 CO 0.09 -1.19 0.59 -0.51 -0.36 0.00 0.00 175.35 173.96 2joe s LEU 73 N 1.61 5.06 -0.40 5.43 1.43 -1.26 -1.10 118.68 129.46 2joe s LEU 73 Ca 0.03 -0.97 -0.13 0.00 -1.03 0.00 0.00 54.13 52.03 2joe s LEU 73 Cb -0.27 -2.41 0.03 0.00 0.03 0.00 0.00 46.19 43.57 2joe s LEU 73 CO 0.05 -0.85 0.27 0.42 0.23 0.00 0.00 176.35 176.46 2joe s THR 74 N 2.47 4.97 -0.11 5.49 -4.23 0.02 -4.99 115.64 119.26 2joe s THR 74 Ca 0.13 -0.79 -0.05 0.00 -1.18 0.00 0.00 61.69 59.81 2joe s THR 74 Cb -0.20 -3.79 -0.04 0.00 1.34 0.00 0.00 72.50 69.81 2joe s THR 74 CO 0.11 -0.31 0.06 -0.31 -0.54 0.00 0.00 174.62 173.63 2joe s TYR 75 N 1.62 3.34 0.00 3.99 2.02 -1.26 -0.13 117.35 126.93 2joe s TYR 75 Ca 0.04 0.30 0.00 0.00 -0.37 0.00 0.00 57.07 57.04 2joe s TYR 75 Cb -0.20 -1.89 0.00 0.00 -0.40 0.00 0.00 41.96 39.48 2joe s TYR 75 CO 0.08 0.53 0.00 0.25 -1.57 0.00 0.00 175.55 174.84 2joe n THR 76 N 2.27 0.00 0.97 -0.71 -2.24 -0.46 -5.01 114.28 109.11 2joe n THR 76 Ca -0.19 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.69 2joe n THR 76 Cb 0.54 -0.05 -0.05 0.00 -2.10 0.00 0.00 70.33 68.67 2joe n THR 76 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2joe n ASP 77 N 0.00 1.58 -0.05 3.42 2.03 -1.26 -4.52 116.55 117.75 2joe n ASP 77 Ca 0.00 -1.29 -0.06 0.00 0.52 0.00 0.00 54.79 53.96 2joe n ASP 77 Cb 0.00 0.69 -0.04 0.00 -0.72 0.00 0.00 41.12 41.05 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 -0.63 0.54 -4.00 5.18 -1.04 -1.26 -4.92 114.28 108.15 2joe n THR 78 Ca 0.07 -0.21 -0.10 0.00 -2.04 0.00 0.00 64.05 61.77 2joe n THR 78 Cb 0.40 -0.83 -0.06 0.00 -1.82 0.00 0.00 70.33 68.02 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 -2.19 0.43 -0.13 -1.42 1.13 -1.26 -2.81 117.35 111.11 2joe s TYR 79 Ca -0.12 -0.78 0.02 0.00 -1.41 0.00 0.00 57.07 54.78 2joe s TYR 79 Cb 0.03 0.06 0.01 0.00 -1.10 0.00 0.00 41.96 40.97 2joe s TYR 79 CO 0.22 -0.89 -0.18 0.00 -2.51 0.00 0.00 175.55 172.18 2joe s ALA 80 N -4.02 1.96 -0.34 9.51 0.00 0.56 -1.35 121.76 128.08 2joe s ALA 80 Ca 0.23 -0.91 -0.12 0.00 0.00 0.00 0.00 51.96 51.15 2joe s ALA 80 Cb 0.01 -0.92 -0.01 0.00 0.00 0.00 0.00 23.12 22.20 2joe s ALA 80 CO 0.07 -0.07 0.23 -1.14 0.00 0.00 0.00 175.76 174.85 2joe s GLN 81 N 0.94 3.43 -0.67 0.00 0.74 0.82 -0.39 119.66 124.53 2joe s GLN 81 Ca -0.06 -0.68 -0.18 0.00 0.05 0.00 0.00 55.36 54.48 2joe s GLN 81 Cb -0.15 -3.78 0.12 0.00 1.10 0.00 0.00 33.01 30.30 2joe s GLN 81 CO -0.02 -0.46 0.78 -2.00 -0.55 0.00 0.00 175.29 173.03 2joe s GLU 82 N 1.70 3.19 -0.54 1.67 2.12 0.87 -0.80 118.70 126.91 2joe s GLU 82 Ca 0.06 -1.50 -0.10 0.00 0.36 0.00 0.00 54.97 53.79 2joe s GLU 82 Cb -0.17 -4.37 0.14 0.00 0.26 0.00 0.00 34.13 29.98 2joe s GLU 82 CO 0.10 -1.56 0.42 1.21 -0.54 0.00 0.00 175.26 174.89 2joe s ASN 83 N 3.46 5.83 -0.13 -1.70 3.84 -0.26 -0.18 114.94 125.81 2joe s ASN 83 Ca 0.15 -2.09 -0.03 0.00 0.21 0.00 0.00 52.86 51.10 2joe s ASN 83 Cb -0.20 -2.04 -0.03 0.00 -0.55 0.00 0.00 41.25 38.43 2joe s ASN 83 CO 0.02 -0.67 -0.02 -0.69 -2.79 0.00 0.00 177.10 172.96 2joe s VAL 84 N 1.10 4.07 -0.08 -5.21 1.01 0.55 -1.22 120.40 120.61 2joe s VAL 84 Ca 0.08 -0.31 -0.05 0.00 0.00 0.00 0.00 61.98 61.69 2joe s VAL 84 Cb -0.24 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 2joe s VAL 84 CO -0.02 0.53 0.15 -0.89 0.00 0.00 0.00 175.10 174.88 2joe s THR 85 N -0.09 5.48 -0.04 3.92 2.01 0.83 0.34 115.64 128.09 2joe s THR 85 Ca 0.03 0.08 -0.00 0.00 0.31 0.00 0.00 61.69 62.10 2joe s THR 85 Cb -0.13 -3.45 0.03 0.00 0.01 0.00 0.00 72.50 68.96 2joe s THR 85 CO 0.02 0.52 0.02 -0.63 -0.69 0.00 0.00 174.62 173.85 2joe s ILE 86 N -1.13 0.13 -0.48 1.82 1.01 0.11 -0.25 121.20 122.40 2joe s ILE 86 Ca 0.19 0.17 -0.19 0.00 0.00 0.00 0.00 60.65 60.83 2joe s ILE 86 Cb -0.12 -0.27 0.05 0.00 0.01 0.00 0.00 42.46 42.12 2joe s ILE 86 CO 0.09 0.17 0.59 -0.62 0.00 0.00 0.00 174.94 175.16 2joe s ASP 87 N 1.42 6.23 0.00 3.58 2.15 -0.68 -0.03 116.67 129.33 2joe s ASP 87 Ca -0.04 -0.83 0.00 0.00 0.43 0.00 0.00 52.55 52.10 2joe s ASP 87 Cb -0.13 -2.28 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 2joe s ASP 87 CO -0.03 -0.82 0.64 0.23 -0.17 0.00 0.00 175.17 175.03 2joe n MET 88 N 6.04 0.99 -0.01 4.34 2.81 0.26 -0.79 117.12 130.75 2joe n MET 88 Ca -0.06 0.00 0.09 0.00 -1.81 0.00 0.00 57.70 55.91 2joe n MET 88 Cb 0.46 -1.35 -0.13 0.00 -0.71 0.00 0.00 33.22 31.49 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 -0.14 0.53 0.00 0.03 1.02 -1.22 -4.62 120.64 116.23 2joe n GLU 89 Ca 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 2joe n GLU 89 Cb 0.17 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 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 -2.09 0.00 -1.75 3.49 4.81 -1.15 -5.10 118.16 116.38 2joe n LYS 90 Ca -0.03 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 56.99 2joe n LYS 90 Cb 0.44 -0.19 -0.00 0.00 0.02 0.00 0.00 35.03 35.30 2joe n LYS 90 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 2joe n VAL 91 N 0.00 1.91 -3.56 3.15 3.14 0.03 -4.56 118.33 118.44 2joe n VAL 91 Ca 0.00 -0.48 -0.40 0.00 -2.96 0.00 0.00 64.34 60.50 2joe n VAL 91 Cb 0.10 -1.87 -0.11 0.00 -1.06 0.00 0.00 33.84 30.89 2joe n VAL 91 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2joe s ASP 92 N -0.12 5.91 0.26 6.55 2.15 -1.26 -4.93 116.67 125.23 2joe s ASP 92 Ca 0.55 -0.50 0.25 0.00 0.43 0.00 0.00 52.55 53.28 2joe s ASP 92 Cb -0.50 -2.10 0.89 0.00 -0.30 0.00 0.00 42.92 40.91 2joe s ASP 92 CO 0.62 -0.24 1.75 -0.26 -0.17 0.00 0.00 175.17 176.87 2joe h PHE 93 N 8.46 0.00 0.00 -5.34 0.04 -1.92 -1.34 116.94 116.84 2joe h PHE 93 Ca -0.31 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.34 2joe h PHE 93 Cb 1.15 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.28 2joe h PHE 93 CO 0.65 0.00 -0.57 -0.22 -0.60 0.00 0.00 178.31 177.57 2joe h LYS 94 N 0.00 0.00 0.00 1.51 3.11 -1.95 -2.14 116.57 117.10 2joe h LYS 94 Ca 0.00 0.00 -0.17 0.00 -2.81 0.00 0.00 60.65 57.67 2joe h LYS 94 Cb 0.58 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.79 2joe h LYS 94 CO 0.00 0.57 -0.83 0.00 -2.81 0.00 0.00 179.45 176.38 2joe h ALA 95 N 1.43 0.51 0.00 5.00 0.00 -1.75 -3.04 119.26 121.41 2joe h ALA 95 Ca -0.01 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.17 2joe h ALA 95 Cb 1.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2joe h ALA 95 CO 0.07 0.99 0.00 1.28 0.00 0.00 0.00 179.25 181.60 2joe n LEU 96 N -3.27 0.00 -0.33 0.00 4.77 -0.59 -4.20 117.00 113.38 2joe n LEU 96 Ca -0.00 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.16 2joe n LEU 96 Cb 0.86 0.00 0.35 0.00 -2.33 0.00 0.00 43.42 42.30 2joe n LEU 96 CO 0.44 0.00 0.88 -0.61 -1.33 0.00 0.00 177.39 176.77 2joe h GLN 97 N 0.00 0.04 0.00 3.23 5.75 -1.27 0.21 115.11 123.06 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 0.00 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.54 2joe h GLN 97 CO 0.00 0.02 -0.10 0.41 -2.65 0.00 0.00 178.83 176.51 2joe n GLY 98 N -1.43 3.73 0.03 2.39 0.00 -1.26 -4.66 105.19 103.99 2joe n GLY 98 Ca 0.26 -0.82 0.01 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.06 0.52 -2.29 -0.61 5.41 0.10 -5.01 119.36 116.42 2joe n ILE 99 Ca 0.11 -0.53 -0.40 0.00 1.00 0.00 0.00 62.75 62.93 2joe n ILE 99 Cb 0.63 0.70 -0.03 0.00 -0.71 0.00 0.00 39.64 40.23 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 -0.62 5.84 0.60 4.38 1.04 0.51 -4.81 113.70 120.64 2joe s SER 100 Ca 0.02 0.20 0.33 0.00 0.48 0.00 0.00 55.95 56.97 2joe s SER 100 Cb 0.01 -2.54 1.94 0.00 0.10 0.00 0.00 66.02 65.53 2joe s SER 100 CO 0.00 -1.96 2.27 1.23 0.98 0.00 0.00 173.24 175.77 2joe h GLY 101 N 14.21 0.00 -7.08 7.32 0.00 -1.95 -3.36 103.07 112.21 2joe h GLY 101 Ca -0.27 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.46 2joe h GLY 101 CO 1.21 0.00 0.62 -0.42 0.00 0.00 0.00 176.54 177.95 2joe s ILE 102 N -4.51 4.33 -0.30 2.60 -1.09 -1.26 -4.97 121.20 116.01 2joe s ILE 102 Ca -0.05 0.36 -0.03 0.00 -2.23 0.00 0.00 60.65 58.70 2joe s ILE 102 Cb 0.15 -4.57 0.11 0.00 -1.58 0.00 0.00 42.46 36.57 2joe s ILE 102 CO 0.52 -1.15 0.16 0.21 -1.23 0.00 0.00 174.94 173.45 2joe s ASN 103 N 2.87 3.24 0.00 3.58 2.47 -1.26 -4.68 114.94 121.16 2joe s ASN 103 Ca 0.32 -1.31 0.00 0.00 0.42 0.00 0.00 52.86 52.29 2joe s ASN 103 Cb -0.12 -0.24 0.00 0.00 -1.45 0.00 0.00 41.25 39.44 2joe s ASN 103 CO 0.20 -0.42 0.00 0.55 -3.72 0.00 0.00 177.10 173.71 2joe n VAL 104 N 5.14 0.00 -4.28 -5.21 3.14 -1.26 -5.14 118.33 110.72 2joe n VAL 104 Ca -0.04 0.00 -0.17 0.00 -2.96 0.00 0.00 64.34 61.17 2joe n VAL 104 Cb 0.42 -0.22 -0.09 0.00 -1.06 0.00 0.00 33.84 32.89 2joe n VAL 104 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2joe s SER 105 N -3.63 1.16 0.00 6.55 0.01 -1.26 -5.04 113.70 111.49 2joe s SER 105 Ca 0.00 -1.56 0.22 0.00 1.31 0.00 0.00 55.95 55.92 2joe s SER 105 Cb 0.00 0.43 0.54 0.00 0.21 0.00 0.00 66.02 67.20 2joe s SER 105 CO 0.00 -0.92 1.45 0.00 0.41 0.00 0.00 173.24 174.18 2joe n ALA 106 N -0.50 2.46 0.74 1.44 0.00 -1.26 -4.09 120.51 119.30 2joe n ALA 106 Ca 0.03 -0.80 0.08 0.00 0.00 0.00 0.00 53.44 52.74 2joe n ALA 106 Cb 0.64 -0.96 -0.07 0.00 0.00 0.00 0.00 19.45 19.07 2joe n ALA 106 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2joe n GLU 107 N 1.01 1.75 0.00 0.00 -0.58 -1.26 -4.12 120.64 117.44 2joe n GLU 107 Ca 0.18 -0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 2joe n GLU 107 Cb 0.49 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 30.10 2joe n GLU 107 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 2joe n ASP 108 N -1.05 0.00 0.08 1.62 5.68 -1.26 -4.55 116.55 117.07 2joe n ASP 108 Ca 0.04 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.32 2joe n ASP 108 Cb 0.27 0.00 0.25 0.00 -1.14 0.00 0.00 41.12 40.51 2joe n ASP 108 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2joe h ALA 109 N -1.97 1.19 0.00 2.12 0.00 -1.84 -2.25 119.26 116.52 2joe h ALA 109 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2joe h ALA 109 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2joe h ALA 109 CO 0.00 0.53 0.00 -0.22 0.00 0.00 0.00 179.25 179.56 2joe h LYS 110 N 0.27 0.00 0.00 0.00 1.63 -1.78 -3.03 116.57 113.66 2joe h LYS 110 Ca 0.04 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 2joe h LYS 110 Cb 0.68 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.31 2joe h LYS 110 CO 0.05 0.00 -0.23 1.63 -3.45 0.00 0.00 179.45 177.45 2joe n LYS 111 N -2.62 0.70 -0.08 1.90 5.02 -1.08 -4.99 118.16 117.01 2joe n LYS 111 Ca 0.02 -1.64 0.00 0.00 -2.02 0.00 0.00 58.31 54.67 2joe n LYS 111 Cb 0.28 -0.94 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 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 -0.61 0.40 3.60 0.72 0.00 -0.87 -4.94 105.19 103.49 2joe n GLY 112 Ca 0.06 -1.15 -0.43 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.04 3.43 0.07 -0.61 -1.09 -1.22 -4.69 121.20 117.06 2joe s ILE 113 Ca 0.00 0.44 0.04 0.00 -2.23 0.00 0.00 60.65 58.90 2joe s ILE 113 Cb 0.00 -3.58 -0.04 0.00 -1.58 0.00 0.00 42.46 37.26 2joe s ILE 113 CO 0.00 -0.36 0.02 -0.89 -1.23 0.00 0.00 174.94 172.47 2joe s THR 114 N 6.96 4.15 0.46 2.92 2.01 -1.26 -4.49 115.64 126.40 2joe s THR 114 Ca 0.82 -0.88 0.13 0.00 0.31 0.00 0.00 61.69 62.07 2joe s THR 114 Cb -0.24 -2.97 0.22 0.00 0.01 0.00 0.00 72.50 69.52 2joe s THR 114 CO 0.34 0.16 2.04 -0.03 -0.69 0.00 0.00 174.62 176.44 2joe h MET 115 N 3.54 0.09 -0.00 4.92 4.05 -1.54 -1.77 114.93 124.21 2joe h MET 115 Ca -0.48 -0.01 0.03 0.00 -0.28 0.00 0.00 59.70 58.96 2joe h MET 115 Cb 1.17 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.91 2joe h MET 115 CO 0.61 0.17 -0.20 0.00 0.23 0.00 0.00 176.91 177.72 2joe h ALA 116 N 1.85 -0.25 0.12 0.39 0.00 -1.95 -0.24 119.26 119.18 2joe h ALA 116 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2joe h ALA 116 Cb 0.19 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2joe h ALA 116 CO 0.01 -0.69 -0.16 1.96 0.00 0.00 0.00 179.25 180.37 2joe h GLN 117 N -0.32 -0.28 -0.97 0.00 7.50 -1.74 -2.80 115.11 116.51 2joe h GLN 117 Ca 0.06 0.02 0.14 0.00 0.50 0.00 0.00 58.65 59.37 2joe h GLN 117 Cb 0.39 0.06 -0.15 0.00 0.05 0.00 0.00 27.48 27.83 2joe h GLN 117 CO -0.18 -0.19 -0.41 1.98 -1.50 0.00 0.00 178.83 178.53 2joe h MET 118 N -0.29 -0.01 0.56 1.46 4.05 -1.21 0.44 114.93 119.93 2joe h MET 118 Ca -0.01 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.39 2joe h MET 118 Cb 0.26 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.06 2joe h MET 118 CO -0.04 -0.01 -0.39 0.93 0.23 0.00 0.00 176.91 177.63 2joe h GLU 119 N -0.01 -0.88 -0.10 0.39 4.39 -1.05 0.22 114.58 117.53 2joe h GLU 119 Ca 0.32 0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.99 2joe h GLU 119 Cb 0.58 0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 2joe h GLU 119 CO -0.96 -0.59 -0.34 -0.07 -1.16 0.00 0.00 179.01 175.88 2joe h LEU 120 N -0.92 0.21 -0.02 1.33 4.07 -1.09 -2.58 115.31 116.32 2joe h LEU 120 Ca -0.07 -0.07 -0.20 0.00 0.08 0.00 0.00 57.88 57.62 2joe h LEU 120 Cb 0.76 -0.06 0.02 0.00 1.08 0.00 0.00 40.66 42.46 2joe h LEU 120 CO 0.04 0.55 -0.78 0.58 -1.08 0.00 0.00 178.44 177.74 2joe h VAL 121 N 0.18 1.35 -0.64 1.22 2.07 0.04 0.17 116.25 120.64 2joe h VAL 121 Ca 0.02 -2.12 -0.04 0.00 0.82 0.00 0.00 66.70 65.38 2joe h VAL 121 Cb 0.70 2.45 -0.03 0.00 -1.52 0.00 0.00 31.29 32.89 2joe h VAL 121 CO 0.05 0.64 0.25 0.24 0.02 0.00 0.00 177.57 178.77 2joe h MET 122 N 0.15 0.94 -0.03 1.57 2.86 -0.53 -2.23 114.93 117.66 2joe h MET 122 Ca -0.09 -0.16 -0.17 0.00 -2.06 0.00 0.00 59.70 57.21 2joe h MET 122 Cb 1.46 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.95 2joe h MET 122 CO 0.15 0.78 -0.75 -0.22 1.06 0.00 0.00 176.91 177.93 2joe h LYS 123 N 0.93 0.23 -0.56 1.72 3.64 -1.38 -2.10 116.57 119.04 2joe h LYS 123 Ca 0.22 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 2joe h LYS 123 Cb 0.20 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 2joe h LYS 123 CO -0.02 0.87 0.19 0.00 -2.27 0.00 0.00 179.45 178.23 2joe h ALA 124 N 1.07 1.29 0.00 5.00 0.00 -0.21 -2.11 119.26 124.29 2joe h ALA 124 Ca -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2joe h ALA 124 Cb 1.32 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2joe h ALA 124 CO 0.12 0.52 -0.28 0.00 0.00 0.00 0.00 179.25 179.60 2joe n ALA 125 N -2.46 2.92 -2.63 0.00 0.00 -0.88 -4.95 120.51 112.51 2joe n ALA 125 Ca 0.04 -0.22 -0.05 0.00 0.00 0.00 0.00 53.44 53.21 2joe n ALA 125 Cb 0.19 -1.29 0.02 0.00 0.00 0.00 0.00 19.45 18.37 2joe n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2joe n GLY 126 N 1.47 0.49 3.89 0.00 0.00 -0.79 -5.05 105.19 105.21 2joe n GLY 126 Ca 0.06 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.08 3.36 -0.10 1.61 0.08 -0.82 -5.05 117.98 113.98 2joe s PHE 127 Ca 0.10 0.97 -0.19 0.00 0.12 0.00 0.00 56.93 57.92 2joe s PHE 127 Cb -0.04 -2.90 -0.04 0.00 -0.57 0.00 0.00 43.02 39.46 2joe s PHE 127 CO 0.17 -0.98 0.53 0.15 -0.10 0.00 0.00 175.22 174.99 2joe s LYS 128 N -5.21 4.36 -0.20 0.44 1.02 -1.03 -4.87 119.74 114.25 2joe s LYS 128 Ca 0.56 0.55 -0.25 0.00 0.02 0.00 0.00 55.97 56.85 2joe s LYS 128 Cb -0.11 -3.43 -0.01 0.00 -0.52 0.00 0.00 37.83 33.76 2joe s LYS 128 CO 0.50 0.15 0.84 -2.00 -0.92 0.00 0.00 175.35 173.92 2joe s GLU 129 N 0.63 4.26 -0.57 1.68 2.12 -1.26 -1.05 118.70 124.50 2joe s GLU 129 Ca 0.29 1.01 0.06 0.00 0.36 0.00 0.00 54.97 56.68 2joe s GLU 129 Cb -0.16 -3.60 0.23 0.00 0.26 0.00 0.00 34.13 30.86 2joe s GLU 129 CO 0.12 -0.40 0.62 0.28 -0.54 0.00 0.00 175.26 175.34 2joe n VAL 130 N 4.94 1.19 -2.57 3.70 0.31 0.16 -4.96 118.33 121.09 2joe n VAL 130 Ca 0.05 -4.72 -0.43 0.00 -0.01 0.00 0.00 64.34 59.23 2joe n VAL 130 Cb 0.48 -2.04 -0.02 0.00 -0.91 0.00 0.00 33.84 31.35 2joe n VAL 130 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 2joe s LYS 131 N -1.82 4.22 -0.68 5.55 0.00 -1.25 -2.44 119.74 123.31 2joe s LYS 131 Ca 0.36 1.42 -0.27 0.00 0.00 0.00 0.00 55.97 57.48 2joe s LYS 131 Cb 0.12 -3.70 0.03 0.00 0.00 0.00 0.00 37.83 34.28 2joe s LYS 131 CO -0.07 -0.70 1.29 -0.51 0.00 0.00 0.00 175.35 175.35 2joe s LEU 132 N 3.39 3.26 -0.97 2.77 1.02 -0.95 -4.93 118.68 122.28 2joe s LEU 132 Ca 0.48 -0.23 -0.24 0.00 0.02 0.00 0.00 54.13 54.16 2joe s LEU 132 Cb -0.17 -2.75 -0.04 0.00 0.02 0.00 0.00 46.19 43.25 2joe s LEU 132 CO 0.10 -1.76 1.90 -1.61 0.02 0.00 0.00 176.35 175.00 2joe s GLU 133 N 5.58 2.67 0.49 1.70 2.02 -1.26 -4.59 118.70 125.30 2joe s GLU 133 Ca 0.40 -0.55 0.13 0.00 0.02 0.00 0.00 54.97 54.97 2joe s GLU 133 Cb -0.08 -5.13 1.15 0.00 0.10 0.00 0.00 34.13 30.16 2joe s GLU 133 CO 0.19 -3.35 2.12 1.25 0.02 0.00 0.00 175.26 175.48 2joe h HIS 134 N 10.82 0.16 -3.50 1.61 2.76 -1.96 -3.36 115.15 121.66 2joe h HIS 134 Ca 0.13 0.00 -0.61 0.00 -2.20 0.00 0.00 60.37 57.70 2joe h HIS 134 Cb 0.99 -0.05 -0.11 0.00 1.55 0.00 0.00 27.41 29.78 2joe h HIS 134 CO 1.23 0.10 0.08 -1.01 -1.30 0.00 0.00 177.93 177.03 2joe s HIS 135 N -5.20 3.30 -0.02 5.26 3.76 -1.26 -4.95 115.29 116.18 2joe s HIS 135 Ca -0.06 0.77 -0.00 0.00 -0.15 0.00 0.00 55.06 55.62 2joe s HIS 135 Cb 0.17 -2.78 0.01 0.00 1.11 0.00 0.00 32.58 31.09 2joe s HIS 135 CO 0.69 -0.27 1.98 0.72 -0.85 0.00 0.00 174.74 177.01 2joe n HIS 136 N 5.48 0.09 -2.79 1.40 -0.00 -1.26 -4.70 115.22 113.45 2joe n HIS 136 Ca -0.02 -1.05 -0.05 0.00 -0.00 0.00 0.00 57.72 56.61 2joe n HIS 136 Cb 0.49 -0.52 0.01 0.00 -0.00 0.00 0.00 29.99 29.97 2joe n HIS 136 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2joe n HIS 137 N 1.41 -2.98 -4.06 4.41 8.25 -1.26 -5.02 115.22 115.97 2joe n HIS 137 Ca 0.02 1.18 -0.33 0.00 -0.26 0.00 0.00 57.72 58.33 2joe n HIS 137 Cb 0.51 -3.85 -0.15 0.00 1.12 0.00 0.00 29.99 27.61 2joe n HIS 137 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2joe s HIS 138 N -2.65 2.98 0.00 4.41 5.04 -1.26 -5.28 115.29 118.52 2joe s HIS 138 Ca 0.14 -1.76 0.00 0.00 -1.54 0.00 0.00 55.06 51.90 2joe s HIS 138 Cb -0.04 -1.97 0.00 0.00 0.04 0.00 0.00 32.58 30.61 2joe s HIS 138 CO 0.69 -0.79 0.00 1.58 -2.34 0.00 0.00 174.74 173.87