#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dj0 s SER 2 N 0.00 4.49 -0.43 1.61 1.04 -1.26 -5.11 113.70 114.04 2dj0 s SER 2 Ca 0.00 -1.05 0.02 0.00 0.48 0.00 0.00 55.95 55.40 2dj0 s SER 2 Cb 0.00 -0.47 0.13 0.00 0.10 0.00 0.00 66.02 65.78 2dj0 s SER 2 CO 0.00 -0.57 0.21 -0.44 0.98 0.00 0.00 173.24 173.42 2dj0 s SER 3 N -3.93 3.92 0.00 7.02 0.01 -1.26 -4.95 113.70 114.50 2dj0 s SER 3 Ca 0.41 -2.54 0.00 0.00 1.31 0.00 0.00 55.95 55.13 2dj0 s SER 3 Cb 0.03 -1.18 0.00 0.00 0.21 0.00 0.00 66.02 65.08 2dj0 s SER 3 CO 0.23 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.20 2dj0 n GLY 4 N 3.68 0.31 3.30 3.44 0.00 -1.26 -5.15 105.19 109.51 2dj0 n GLY 4 Ca 0.06 -0.77 -0.19 0.00 0.00 0.00 0.00 46.02 45.12 2dj0 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dj0 s SER 5 N 0.00 2.33 0.76 1.61 0.15 -1.26 -5.16 113.70 112.13 2dj0 s SER 5 Ca 0.00 -0.90 -0.06 0.00 0.70 0.00 0.00 55.95 55.69 2dj0 s SER 5 Cb 0.00 -0.11 0.12 0.00 -1.71 0.00 0.00 66.02 64.32 2dj0 s SER 5 CO 0.00 -0.13 1.06 -0.55 1.20 0.00 0.00 173.24 174.82 2dj0 s SER 6 N -2.81 4.28 -0.87 5.45 0.15 -1.26 -4.88 113.70 113.77 2dj0 s SER 6 Ca 0.15 0.07 -0.22 0.00 0.70 0.00 0.00 55.95 56.65 2dj0 s SER 6 Cb -0.03 -0.50 -0.22 0.00 -1.71 0.00 0.00 66.02 63.56 2dj0 s SER 6 CO 0.05 -1.92 2.42 0.61 1.20 0.00 0.00 173.24 175.59 2dj0 n GLY 7 N -3.04 -0.30 3.18 9.45 0.00 -1.26 -4.87 105.19 108.35 2dj0 n GLY 7 Ca 0.12 0.52 -0.33 0.00 0.00 0.00 0.00 46.02 46.33 2dj0 n GLY 7 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2dj0 s TYR 8 N 7.88 2.75 -0.01 1.61 1.13 -1.26 -5.05 117.35 124.39 2dj0 s TYR 8 Ca 1.19 -1.35 0.04 0.00 -1.41 0.00 0.00 57.07 55.54 2dj0 s TYR 8 Cb -0.70 -1.89 -0.03 0.00 -1.10 0.00 0.00 41.96 38.24 2dj0 s TYR 8 CO 0.39 -0.64 -0.12 0.42 -2.51 0.00 0.00 175.55 173.09 2dj0 s ILE 9 N 1.02 3.23 -0.92 -3.49 1.01 -1.26 -4.82 121.20 115.97 2dj0 s ILE 9 Ca -0.02 -0.82 -0.22 0.00 0.00 0.00 0.00 60.65 59.59 2dj0 s ILE 9 Cb -0.15 -2.33 0.07 0.00 0.01 0.00 0.00 42.46 40.06 2dj0 s ILE 9 CO -0.05 0.48 1.29 -0.75 0.00 0.00 0.00 174.94 175.90 2dj0 s LYS 10 N -1.10 3.48 0.87 2.79 2.47 -1.04 -4.84 119.74 122.37 2dj0 s LYS 10 Ca 0.14 -1.13 -0.10 0.00 -1.56 0.00 0.00 55.97 53.32 2dj0 s LYS 10 Cb -0.11 -4.96 0.12 0.00 -1.46 0.00 0.00 37.83 31.43 2dj0 s LYS 10 CO 0.04 -2.05 1.12 0.71 0.16 0.00 0.00 175.35 175.33 2dj0 s TYR 11 N 4.40 1.99 0.21 4.03 2.02 -1.26 -3.30 117.35 125.44 2dj0 s TYR 11 Ca 0.38 1.65 0.01 0.00 -0.37 0.00 0.00 57.07 58.75 2dj0 s TYR 11 Cb -0.04 -3.22 -0.05 0.00 -0.40 0.00 0.00 41.96 38.26 2dj0 s TYR 11 CO -0.04 -2.46 0.05 -0.06 -1.57 0.00 0.00 175.55 171.46 2dj0 s PHE 12 N -2.75 1.34 0.18 2.71 0.08 -1.18 -4.86 117.98 113.49 2dj0 s PHE 12 Ca 0.65 -1.11 0.09 0.00 0.12 0.00 0.00 56.93 56.68 2dj0 s PHE 12 Cb -0.21 -0.77 -0.04 0.00 -0.57 0.00 0.00 43.02 41.44 2dj0 s PHE 12 CO 0.57 -0.29 -0.11 -0.80 -0.10 0.00 0.00 175.22 174.50 2dj0 s ASN 13 N -3.23 4.19 0.61 1.36 -0.87 -1.26 -4.82 114.94 110.92 2dj0 s ASN 13 Ca 0.31 -0.59 0.27 0.00 -1.57 0.00 0.00 52.86 51.27 2dj0 s ASN 13 Cb 0.07 -0.69 1.25 0.00 -0.02 0.00 0.00 41.25 41.86 2dj0 s ASN 13 CO 0.08 0.11 1.68 -2.24 -2.57 0.00 0.00 177.10 174.16 2dj0 h ASP 14 N 2.99 0.00 0.00 -1.22 2.03 -1.99 0.44 116.42 118.67 2dj0 h ASP 14 Ca -0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 2dj0 h ASP 14 Cb 1.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 2dj0 h ASP 14 CO 0.53 0.00 -0.48 1.17 -1.03 0.00 0.00 179.24 179.43 2dj0 n LYS 15 N -3.39 0.26 -0.29 4.15 3.00 -1.26 -4.59 118.16 116.04 2dj0 n LYS 15 Ca 0.11 0.11 0.12 0.00 -0.00 0.00 0.00 58.31 58.64 2dj0 n LYS 15 Cb 0.90 -0.96 0.28 0.00 0.00 0.00 0.00 35.03 35.25 2dj0 n LYS 15 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 2dj0 h THR 16 N -0.49 0.46 -1.84 3.15 1.35 -1.91 0.12 112.91 113.75 2dj0 h THR 16 Ca 0.00 -0.12 0.53 0.00 -0.55 0.00 0.00 66.41 66.27 2dj0 h THR 16 Cb 0.48 0.08 -0.07 0.00 -1.73 0.00 0.00 68.15 66.91 2dj0 h THR 16 CO 0.00 0.06 1.35 0.00 -0.25 0.00 0.00 175.52 176.68 2dj0 n ILE 17 N -5.09 0.00 -0.03 6.82 3.06 0.15 -0.42 119.36 123.85 2dj0 n ILE 17 Ca 0.20 1.40 -0.01 0.00 -2.50 0.00 0.00 62.75 61.85 2dj0 n ILE 17 Cb 0.62 -2.35 -0.00 0.00 0.54 0.00 0.00 39.64 38.44 2dj0 n ILE 17 CO 0.00 0.00 0.00 -0.78 -2.50 0.00 0.00 176.55 173.27 2dj0 h ASP 18 N 0.00 0.00 -1.31 9.51 1.82 -0.98 -3.14 116.42 122.32 2dj0 h ASP 18 Ca 0.87 0.00 0.39 0.00 -0.39 0.00 0.00 57.03 57.90 2dj0 h ASP 18 Cb 3.56 0.00 -0.09 0.00 0.68 0.00 0.00 39.33 43.48 2dj0 h ASP 18 CO -0.01 0.31 0.89 1.05 -1.61 0.00 0.00 179.24 179.87 2dj0 h GLU 19 N -0.53 0.12 -0.06 0.28 4.11 -1.10 0.37 114.58 117.78 2dj0 h GLU 19 Ca 0.00 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.40 2dj0 h GLU 19 Cb 0.09 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2dj0 h GLU 19 CO 0.00 0.08 -0.04 1.49 0.07 0.00 0.00 179.01 180.61 2dj0 h GLU 20 N 0.12 0.12 0.00 1.06 4.57 -0.89 -0.28 114.58 119.29 2dj0 h GLU 20 Ca 0.71 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.83 2dj0 h GLU 20 Cb 2.41 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 31.00 2dj0 h GLU 20 CO -0.21 0.53 0.00 1.28 -1.18 0.00 0.00 179.01 179.43 2dj0 n LEU 21 N -4.78 0.00 -0.09 1.64 4.77 0.10 -1.67 117.00 116.98 2dj0 n LEU 21 Ca -0.07 0.35 -0.12 0.00 -0.03 0.00 0.00 56.01 56.13 2dj0 n LEU 21 Cb 0.26 -0.35 -0.15 0.00 -2.33 0.00 0.00 43.42 40.86 2dj0 n LEU 21 CO 0.35 -0.11 -1.07 1.21 -1.33 0.00 0.00 177.39 176.44 2dj0 n GLU 22 N -1.35 0.68 0.00 3.23 2.13 0.28 -2.96 120.64 122.64 2dj0 n GLU 22 Ca 0.08 0.10 0.12 0.00 0.66 0.00 0.00 57.16 58.12 2dj0 n GLU 22 Cb 0.19 -1.58 0.27 0.00 0.27 0.00 0.00 31.44 30.58 2dj0 n GLU 22 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 2dj0 n ARG 23 N -2.97 0.14 -0.37 5.31 1.85 -0.14 -3.93 116.66 116.55 2dj0 n ARG 23 Ca -0.33 -0.08 0.05 0.00 -1.00 0.00 0.00 57.85 56.49 2dj0 n ARG 23 Cb 1.09 -1.50 0.08 0.00 -1.05 0.00 0.00 32.46 31.09 2dj0 n ARG 23 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2dj0 n ASP 24 N -1.36 1.30 -0.22 2.89 8.00 -0.67 -4.90 116.55 121.59 2dj0 n ASP 24 Ca 0.07 -2.66 -0.06 0.00 0.71 0.00 0.00 54.79 52.85 2dj0 n ASP 24 Cb 0.34 -0.34 -0.05 0.00 -0.02 0.00 0.00 41.12 41.04 2dj0 n ASP 24 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2dj0 h LYS 25 N 0.14 -0.01 -0.69 -1.24 1.57 -1.65 -0.99 116.57 113.70 2dj0 h LYS 25 Ca -0.02 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.83 2dj0 h LYS 25 Cb 1.21 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.45 2dj0 h LYS 25 CO 0.01 -0.01 -0.41 0.54 -0.57 0.00 0.00 179.45 179.01 2dj0 n ARG 26 N -4.21 -0.30 -1.80 3.15 1.74 -1.26 -3.45 116.66 110.53 2dj0 n ARG 26 Ca 0.01 1.08 -0.35 0.00 -0.77 0.00 0.00 57.85 57.82 2dj0 n ARG 26 Cb 0.14 -1.59 0.06 0.00 -1.02 0.00 0.00 32.46 30.05 2dj0 n ARG 26 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2dj0 s VAL 27 N -5.23 2.52 0.17 1.55 1.01 -0.38 -4.64 120.40 115.40 2dj0 s VAL 27 Ca -0.08 0.29 -0.20 0.00 0.00 0.00 0.00 61.98 62.00 2dj0 s VAL 27 Cb 0.08 -3.01 -0.08 0.00 0.00 0.00 0.00 36.38 33.37 2dj0 s VAL 27 CO 0.43 -0.10 0.67 -0.89 0.00 0.00 0.00 175.10 175.21 2dj0 s THR 28 N -1.74 4.62 -0.06 3.92 2.01 -1.26 -4.67 115.64 118.46 2dj0 s THR 28 Ca 0.76 1.27 -0.00 0.00 0.31 0.00 0.00 61.69 64.03 2dj0 s THR 28 Cb -0.30 -3.89 0.02 0.00 0.01 0.00 0.00 72.50 68.34 2dj0 s THR 28 CO 0.38 0.34 -0.03 0.26 -0.69 0.00 0.00 174.62 174.89 2dj0 s TRP 29 N -1.36 0.74 -0.39 4.92 0.52 -1.07 -3.90 118.94 118.40 2dj0 s TRP 29 Ca 0.38 -0.22 -0.05 0.00 0.02 0.00 0.00 56.10 56.23 2dj0 s TRP 29 Cb -0.18 -0.75 0.09 0.00 -1.15 0.00 0.00 33.47 31.48 2dj0 s TRP 29 CO 0.21 -0.27 0.19 -1.50 0.02 0.00 0.00 176.95 175.60 2dj0 s ILE 30 N 1.42 3.63 -0.03 2.03 2.07 -1.19 -2.06 121.20 127.07 2dj0 s ILE 30 Ca -0.03 -1.65 -0.04 0.00 -1.41 0.00 0.00 60.65 57.52 2dj0 s ILE 30 Cb -0.13 -3.29 -0.04 0.00 0.13 0.00 0.00 42.46 39.12 2dj0 s ILE 30 CO -0.03 -0.50 0.18 -0.69 -1.91 0.00 0.00 174.94 172.00 2dj0 s VAL 31 N 1.28 5.44 -0.28 4.00 1.01 -1.21 -1.65 120.40 128.98 2dj0 s VAL 31 Ca 0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 61.98 61.95 2dj0 s VAL 31 Cb -0.22 -3.52 0.05 0.00 0.00 0.00 0.00 36.38 32.69 2dj0 s VAL 31 CO -0.01 0.38 -0.05 -0.70 0.00 0.00 0.00 175.10 174.72 2dj0 s GLU 32 N -1.77 2.40 -0.47 2.72 2.12 0.11 -2.90 118.70 120.92 2dj0 s GLU 32 Ca 0.25 -1.27 -0.24 0.00 0.36 0.00 0.00 54.97 54.08 2dj0 s GLU 32 Cb -0.13 -3.06 0.03 0.00 0.26 0.00 0.00 34.13 31.24 2dj0 s GLU 32 CO 0.16 -0.58 0.85 -0.06 -0.54 0.00 0.00 175.26 175.09 2dj0 s PHE 33 N 1.21 2.94 0.37 5.30 0.40 -0.80 -2.70 117.98 124.69 2dj0 s PHE 33 Ca -0.06 0.19 0.04 0.00 -0.60 0.00 0.00 56.93 56.50 2dj0 s PHE 33 Cb -0.20 -3.83 -0.06 0.00 0.51 0.00 0.00 43.02 39.45 2dj0 s PHE 33 CO -0.03 -1.08 0.05 -0.59 0.70 0.00 0.00 175.22 174.27 2dj0 s PHE 34 N 3.54 2.04 0.13 0.36 -0.71 -1.15 -0.75 117.98 121.43 2dj0 s PHE 34 Ca 0.32 -0.95 0.08 0.00 -1.04 0.00 0.00 56.93 55.34 2dj0 s PHE 34 Cb -0.12 -1.39 -0.04 0.00 -1.21 0.00 0.00 43.02 40.26 2dj0 s PHE 34 CO 0.23 0.07 -0.18 0.00 -1.34 0.00 0.00 175.22 174.00 2dj0 s ALA 35 N -3.13 1.81 0.03 1.99 0.00 -1.26 -1.17 121.76 120.03 2dj0 s ALA 35 Ca 0.32 -1.35 0.31 0.00 0.00 0.00 0.00 51.96 51.24 2dj0 s ALA 35 Cb 0.07 -0.18 1.51 0.00 0.00 0.00 0.00 23.12 24.52 2dj0 s ALA 35 CO 0.15 0.25 1.94 -0.91 0.00 0.00 0.00 175.76 177.18 2dj0 h ASN 36 N 3.63 0.00 -0.29 0.00 4.21 -1.98 -1.03 115.58 120.12 2dj0 h ASN 36 Ca -0.43 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.08 2dj0 h ASN 36 Cb 1.19 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.39 2dj0 h ASN 36 CO 0.46 0.00 0.00 -2.67 -1.29 0.00 0.00 177.43 173.93 2dj0 n TRP 37 N -2.66 0.38 -2.46 1.19 4.27 -1.26 -4.97 117.44 111.92 2dj0 n TRP 37 Ca -0.01 -0.40 -0.43 0.00 -3.89 0.00 0.00 57.50 52.78 2dj0 n TRP 37 Cb 0.15 -0.02 -0.02 0.00 -1.36 0.00 0.00 31.31 30.06 2dj0 n TRP 37 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 2dj0 s SER 38 N -0.99 6.80 -0.03 -0.67 0.15 -0.39 -4.93 113.70 113.63 2dj0 s SER 38 Ca 0.22 1.31 -0.20 0.00 0.70 0.00 0.00 55.95 57.98 2dj0 s SER 38 Cb 0.12 -2.54 -0.13 0.00 -1.71 0.00 0.00 66.02 61.76 2dj0 s SER 38 CO 0.16 -0.95 0.84 0.78 1.20 0.00 0.00 173.24 175.26 2dj0 h ASN 39 N 8.77 -0.38 -1.91 5.45 4.21 -1.88 -3.15 115.58 126.68 2dj0 h ASN 39 Ca -0.25 -0.14 0.56 0.00 1.21 0.00 0.00 56.30 57.68 2dj0 h ASN 39 Cb 1.09 0.10 -0.08 0.00 -1.12 0.00 0.00 38.32 38.31 2dj0 h ASN 39 CO 1.02 0.08 1.36 0.44 -1.29 0.00 0.00 177.43 179.04 2dj0 h ASP 40 N -1.00 0.02 -0.49 5.81 3.32 -1.92 1.12 116.42 123.28 2dj0 h ASP 40 Ca -0.05 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 2dj0 h ASP 40 Cb 0.49 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 2dj0 h ASP 40 CO 0.08 -0.02 0.24 0.00 -1.72 0.00 0.00 179.24 177.81 2dj0 h GLN 42 N 0.65 -0.08 0.00 0.00 7.50 0.12 2.15 115.11 125.46 2dj0 h GLN 42 Ca 0.17 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.32 2dj0 h GLN 42 Cb 0.12 0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.66 2dj0 h GLN 42 CO -0.02 -0.05 0.00 0.43 -1.50 0.00 0.00 178.83 177.69 2dj0 n SER 43 N -3.41 0.00 -0.33 1.46 7.64 -1.22 -0.88 113.62 116.89 2dj0 n SER 43 Ca -0.01 0.08 0.03 0.00 1.01 0.00 0.00 58.87 59.99 2dj0 n SER 43 Cb 0.08 -0.23 0.07 0.00 -1.01 0.00 0.00 64.21 63.11 2dj0 n SER 43 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2dj0 n PHE 44 N -1.23 0.17 0.27 1.43 7.35 0.23 -4.57 117.46 121.11 2dj0 n PHE 44 Ca 0.04 -0.32 -0.13 0.00 -0.76 0.00 0.00 57.45 56.28 2dj0 n PHE 44 Cb 0.06 -0.02 -0.06 0.00 0.35 0.00 0.00 39.48 39.80 2dj0 n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2dj0 h ALA 45 N 1.18 -0.73 0.00 3.13 0.00 0.51 -2.72 119.26 120.64 2dj0 h ALA 45 Ca 0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 2dj0 h ALA 45 Cb 0.50 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2dj0 h ALA 45 CO 0.00 -0.71 -0.37 -1.00 0.00 0.00 0.00 179.25 177.18 2dj0 h PRO 46 N -1.13 0.00 -0.30 0.00 0.13 -1.84 -2.85 132.00 126.01 2dj0 h PRO 46 Ca -0.07 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.96 2dj0 h PRO 46 Cb 0.60 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 2dj0 h PRO 46 CO 0.12 0.37 -0.22 0.82 -0.23 0.00 0.00 178.00 178.86 2dj0 h ILE 47 N 0.00 1.26 -0.02 -3.56 2.04 -1.80 -2.02 117.51 113.41 2dj0 h ILE 47 Ca -0.00 -1.25 -0.23 0.00 1.00 0.00 0.00 64.86 64.38 2dj0 h ILE 47 Cb 0.77 1.28 0.02 0.00 -0.74 0.00 0.00 36.82 38.14 2dj0 h ILE 47 CO 0.05 0.41 -0.87 0.22 0.00 0.00 0.00 178.15 177.95 2dj0 h TYR 48 N 0.51 0.91 0.64 1.37 3.20 -1.33 -2.95 116.97 119.32 2dj0 h TYR 48 Ca 0.08 -0.49 -0.03 0.00 3.14 0.00 0.00 58.73 61.43 2dj0 h TYR 48 Cb 0.66 -0.11 0.01 0.00 1.54 0.00 0.00 36.73 38.83 2dj0 h TYR 48 CO 0.03 1.31 -0.31 0.00 -1.64 0.00 0.00 178.16 177.55 2dj0 h ALA 49 N 0.39 -0.87 -0.45 1.82 0.00 -1.43 -0.55 119.26 118.18 2dj0 h ALA 49 Ca -0.10 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.70 2dj0 h ALA 49 Cb 1.54 0.33 -0.08 0.00 0.00 0.00 0.00 17.79 19.59 2dj0 h ALA 49 CO 0.17 -0.98 -0.04 0.22 0.00 0.00 0.00 179.25 178.62 2dj0 h ASP 50 N -0.88 -0.28 0.73 0.00 1.82 -1.49 -0.95 116.42 115.37 2dj0 h ASP 50 Ca -0.09 0.12 -0.03 0.00 -0.39 0.00 0.00 57.03 56.64 2dj0 h ASP 50 Cb 0.67 0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.90 2dj0 h ASP 50 CO 0.15 -0.10 -0.50 -0.07 -1.61 0.00 0.00 179.24 177.11 2dj0 h LEU 51 N 0.06 -1.28 -0.31 2.28 3.38 -1.41 -2.39 115.31 115.65 2dj0 h LEU 51 Ca 0.22 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.31 2dj0 h LEU 51 Cb 0.34 0.39 -0.07 0.00 0.09 0.00 0.00 40.66 41.40 2dj0 h LEU 51 CO -0.41 -0.74 -0.50 0.77 0.09 0.00 0.00 178.44 177.66 2dj0 h SER 52 N -1.16 -1.64 -0.92 -0.43 4.64 -0.78 -0.23 113.55 113.02 2dj0 h SER 52 Ca -0.10 0.21 0.23 0.00 -0.47 0.00 0.00 61.79 61.66 2dj0 h SER 52 Cb 0.95 0.67 -0.17 0.00 -0.31 0.00 0.00 62.40 63.53 2dj0 h SER 52 CO 0.07 -0.38 -0.05 -0.07 -0.87 0.00 0.00 176.83 175.53 2dj0 h LEU 53 N -0.39 -0.55 -0.33 5.97 3.38 -1.15 2.02 115.31 124.26 2dj0 h LEU 53 Ca 0.06 0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2dj0 h LEU 53 Cb 0.55 0.48 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 2dj0 h LEU 53 CO -0.50 -0.30 0.22 0.50 0.09 0.00 0.00 178.44 178.45 2dj0 h LYS 54 N 0.03 0.43 -0.64 1.13 3.64 -0.56 -1.98 116.57 118.62 2dj0 h LYS 54 Ca 0.52 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.87 2dj0 h LYS 54 Cb 0.97 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 2dj0 h LYS 54 CO -0.87 0.28 0.00 0.66 -2.27 0.00 0.00 179.45 177.25 2dj0 n TYR 55 N -4.86 1.23 -2.41 1.91 4.02 0.14 -4.72 117.16 112.47 2dj0 n TYR 55 Ca -0.01 -0.47 -0.43 0.00 -0.01 0.00 0.00 57.90 56.99 2dj0 n TYR 55 Cb 0.03 -0.26 0.00 0.00 -0.02 0.00 0.00 39.34 39.09 2dj0 n TYR 55 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2dj0 n ASN 56 N 0.68 4.81 -3.54 7.72 2.85 0.64 -4.27 115.26 124.13 2dj0 n ASN 56 Ca 0.19 -2.97 -0.10 0.00 -0.11 0.00 0.00 54.58 51.60 2dj0 n ASN 56 Cb 0.77 -1.60 -0.02 0.00 1.24 0.00 0.00 39.78 40.16 2dj0 n ASN 56 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2dj0 n THR 58 N -0.37 0.79 0.00 0.00 5.66 -1.26 -2.23 114.28 116.87 2dj0 n THR 58 Ca -0.12 -0.43 0.00 0.00 -3.05 0.00 0.00 64.05 60.45 2dj0 n THR 58 Cb 0.63 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.41 2dj0 n THR 58 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2dj0 n GLY 59 N 1.95 2.61 3.04 1.09 0.00 -1.26 -4.94 105.19 107.68 2dj0 n GLY 59 Ca 0.11 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 2dj0 n GLY 59 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dj0 s LEU 60 N 0.00 1.74 0.27 0.99 2.96 -0.95 -4.04 118.68 119.65 2dj0 s LEU 60 Ca 0.00 -0.27 0.05 0.00 -0.22 0.00 0.00 54.13 53.69 2dj0 s LEU 60 Cb 0.00 -0.75 -0.06 0.00 0.50 0.00 0.00 46.19 45.88 2dj0 s LEU 60 CO 0.00 0.07 -0.02 0.20 -1.32 0.00 0.00 176.35 175.28 2dj0 s ASN 61 N 0.36 2.35 0.01 3.68 0.01 -1.25 -3.22 114.94 116.88 2dj0 s ASN 61 Ca -0.08 -1.23 0.06 0.00 -0.71 0.00 0.00 52.86 50.90 2dj0 s ASN 61 Cb -0.12 -0.09 -0.02 0.00 0.41 0.00 0.00 41.25 41.43 2dj0 s ASN 61 CO 0.02 -0.45 -0.20 -0.36 -1.51 0.00 0.00 177.10 174.60 2dj0 s PHE 62 N -3.21 1.78 0.04 2.20 0.40 -1.26 -3.19 117.98 114.73 2dj0 s PHE 62 Ca 0.30 -0.35 0.02 0.00 -0.60 0.00 0.00 56.93 56.30 2dj0 s PHE 62 Cb 0.05 -1.11 -0.02 0.00 0.51 0.00 0.00 43.02 42.45 2dj0 s PHE 62 CO 0.11 0.01 -0.07 0.20 0.70 0.00 0.00 175.22 176.17 2dj0 s GLY 63 N -0.73 0.47 -0.03 4.36 0.00 -0.66 -2.51 107.32 108.22 2dj0 s GLY 63 Ca 0.07 -0.73 0.02 0.00 0.00 0.00 0.00 44.72 44.09 2dj0 s GLY 63 CO 0.00 -0.78 -0.09 1.25 0.00 0.00 0.00 173.10 173.48 2dj0 s LYS 64 N -1.53 1.02 -0.08 2.90 2.20 -1.21 -0.71 119.74 122.34 2dj0 s LYS 64 Ca -0.10 -0.32 -0.04 0.00 -0.36 0.00 0.00 55.97 55.15 2dj0 s LYS 64 Cb -0.10 -0.95 0.04 0.00 -1.51 0.00 0.00 37.83 35.32 2dj0 s LYS 64 CO 0.00 0.11 0.18 0.54 -0.36 0.00 0.00 175.35 175.82 2dj0 s VAL 65 N 0.23 -0.10 -0.21 4.02 0.11 -1.10 -3.13 120.40 120.21 2dj0 s VAL 65 Ca -0.04 0.21 -0.29 0.00 -2.93 0.00 0.00 61.98 58.93 2dj0 s VAL 65 Cb -0.09 -0.30 0.00 0.00 -1.53 0.00 0.00 36.38 34.47 2dj0 s VAL 65 CO 0.01 0.08 1.09 -0.62 -3.33 0.00 0.00 175.10 172.33 2dj0 s ASP 66 N 1.44 7.07 -0.11 3.54 -1.08 -1.26 -2.94 116.67 123.33 2dj0 s ASP 66 Ca -0.07 1.46 0.20 0.00 -0.52 0.00 0.00 52.55 53.63 2dj0 s ASP 66 Cb -0.11 -2.54 -0.30 0.00 -1.46 0.00 0.00 42.92 38.51 2dj0 s ASP 66 CO -0.07 -0.68 0.30 1.33 0.52 0.00 0.00 175.17 176.57 2dj0 n VAL 67 N 5.29 0.64 0.18 1.11 0.24 -0.31 -3.50 118.33 121.97 2dj0 n VAL 67 Ca 0.12 -0.66 0.10 0.00 -2.04 0.00 0.00 64.34 61.86 2dj0 n VAL 67 Cb 0.46 -0.21 0.56 0.00 -1.47 0.00 0.00 33.84 33.17 2dj0 n VAL 67 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2dj0 h GLY 68 N 4.00 0.00 0.00 7.63 0.00 -1.90 -2.82 103.07 109.97 2dj0 h GLY 68 Ca -0.25 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.03 2dj0 h GLY 68 CO 0.01 0.00 -1.20 -2.13 0.00 0.00 0.00 176.54 173.22 2dj0 n ARG 69 N -2.25 0.49 -2.66 4.80 0.00 -1.26 -4.87 116.66 110.90 2dj0 n ARG 69 Ca -0.01 0.02 -0.43 0.00 -0.00 0.00 0.00 57.85 57.43 2dj0 n ARG 69 Cb 0.13 -1.07 -0.01 0.00 0.00 0.00 0.00 32.46 31.51 2dj0 n ARG 69 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 2dj0 s TYR 70 N -2.07 2.89 0.48 -0.14 1.51 -1.07 -4.78 117.35 114.17 2dj0 s TYR 70 Ca -0.04 -1.57 0.36 0.00 -1.01 0.00 0.00 57.07 54.80 2dj0 s TYR 70 Cb 0.01 -4.64 1.95 0.00 -0.11 0.00 0.00 41.96 39.17 2dj0 s TYR 70 CO 0.09 -1.74 2.09 1.79 -1.11 0.00 0.00 175.55 176.67 2dj0 h THR 71 N 5.63 0.00 -0.19 -0.71 1.35 -1.90 -1.08 112.91 116.01 2dj0 h THR 71 Ca 0.37 0.00 -0.16 0.00 -0.55 0.00 0.00 66.41 66.07 2dj0 h THR 71 Cb 0.90 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 2dj0 h THR 71 CO 1.40 0.00 -0.49 0.44 -0.25 0.00 0.00 175.52 176.61 2dj0 h ASP 72 N 0.00 0.76 0.30 5.36 3.32 -1.91 -3.11 116.42 121.14 2dj0 h ASP 72 Ca 0.00 -0.58 -0.01 0.00 0.02 0.00 0.00 57.03 56.46 2dj0 h ASP 72 Cb 0.18 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2dj0 h ASP 72 CO 0.00 1.20 -0.14 0.58 -1.72 0.00 0.00 179.24 179.16 2dj0 h VAL 73 N 0.36 0.00 -0.65 -1.35 2.07 -1.55 -2.54 116.25 112.59 2dj0 h VAL 73 Ca -0.01 -0.30 0.06 0.00 0.82 0.00 0.00 66.70 67.27 2dj0 h VAL 73 Cb 1.11 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.80 2dj0 h VAL 73 CO 0.11 0.00 -0.38 -1.54 0.02 0.00 0.00 177.57 175.77 2dj0 n SER 74 N -3.90 -0.69 -0.29 0.57 3.41 -1.08 0.15 113.62 111.78 2dj0 n SER 74 Ca -0.05 1.34 0.10 0.00 -0.26 0.00 0.00 58.87 60.00 2dj0 n SER 74 Cb 0.16 -0.24 0.33 0.00 -0.26 0.00 0.00 64.21 64.19 2dj0 n SER 74 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2dj0 h THR 75 N 0.00 0.88 -0.37 6.66 2.02 -1.67 0.16 112.91 120.59 2dj0 h THR 75 Ca 0.10 -0.27 -0.06 0.00 0.77 0.00 0.00 66.41 66.95 2dj0 h THR 75 Cb 0.27 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 2dj0 h THR 75 CO -0.61 0.15 -0.03 -0.09 0.37 0.00 0.00 175.52 175.30 2dj0 h ARG 76 N 0.80 0.60 -0.59 6.66 2.43 0.18 -2.55 114.38 121.90 2dj0 h ARG 76 Ca 0.46 -0.15 -0.21 0.00 -0.81 0.00 0.00 59.98 59.26 2dj0 h ARG 76 Cb 0.61 -0.08 -0.13 0.00 -0.42 0.00 0.00 29.97 29.96 2dj0 h ARG 76 CO -0.22 0.65 0.19 0.66 -1.51 0.00 0.00 179.97 179.74 2dj0 n TYR 77 N -4.24 1.91 -3.91 2.20 4.02 0.77 -4.94 117.16 112.98 2dj0 n TYR 77 Ca 0.02 -1.35 -0.30 0.00 -0.01 0.00 0.00 57.90 56.25 2dj0 n TYR 77 Cb 0.28 -0.61 -0.07 0.00 -0.02 0.00 0.00 39.34 38.93 2dj0 n TYR 77 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2dj0 n LYS 78 N -0.64 -0.84 -3.60 -0.72 4.76 0.33 -4.85 118.16 112.61 2dj0 n LYS 78 Ca 0.38 0.10 -0.40 0.00 -2.87 0.00 0.00 58.31 55.52 2dj0 n LYS 78 Cb 1.25 -3.39 -0.09 0.00 -1.84 0.00 0.00 35.03 30.96 2dj0 n LYS 78 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2dj0 s VAL 79 N -3.25 4.06 0.09 -0.18 1.01 0.03 -5.00 120.40 117.16 2dj0 s VAL 79 Ca 0.42 -1.73 -0.33 0.00 0.00 0.00 0.00 61.98 60.34 2dj0 s VAL 79 Cb -0.25 -3.64 -0.12 0.00 0.00 0.00 0.00 36.38 32.38 2dj0 s VAL 79 CO 0.80 -0.69 1.75 -1.20 0.00 0.00 0.00 175.10 175.76 2dj0 n SER 80 N 4.86 3.55 -3.10 3.32 7.64 -1.26 -4.56 113.62 124.07 2dj0 n SER 80 Ca -0.08 1.02 -0.39 0.00 1.01 0.00 0.00 58.87 60.43 2dj0 n SER 80 Cb 0.41 -1.46 0.03 0.00 -1.01 0.00 0.00 64.21 62.18 2dj0 n SER 80 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2dj0 n THR 81 N 4.33 4.23 -4.60 0.44 -2.24 -1.26 -4.66 114.28 110.51 2dj0 n THR 81 Ca 0.19 -4.87 -0.32 0.00 -2.27 0.00 0.00 64.05 56.77 2dj0 n THR 81 Cb 0.32 -1.34 -0.11 0.00 -2.10 0.00 0.00 70.33 67.10 2dj0 n THR 81 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2dj0 s SER 82 N -1.40 4.42 0.19 3.42 0.01 -1.26 -4.95 113.70 114.13 2dj0 s SER 82 Ca 0.48 -0.16 0.21 0.00 1.31 0.00 0.00 55.95 57.79 2dj0 s SER 82 Cb 0.36 -1.00 0.89 0.00 0.21 0.00 0.00 66.02 66.48 2dj0 s SER 82 CO -0.31 0.31 1.64 -0.81 0.41 0.00 0.00 173.24 174.48 2dj0 n PRO 83 N 1.85 0.14 0.08 12.44 -0.04 -1.26 -2.76 135.00 145.45 2dj0 n PRO 83 Ca -0.16 0.38 -0.21 0.00 -0.04 0.00 0.00 63.50 63.47 2dj0 n PRO 83 Cb 0.52 -1.78 -0.15 0.00 -0.04 0.00 0.00 33.50 32.06 2dj0 n PRO 83 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2dj0 h LEU 84 N 0.00 0.57-10.49 1.53 4.07 -1.99 -3.47 115.31 105.52 2dj0 h LEU 84 Ca 0.00 -0.80 -0.45 0.00 0.08 0.00 0.00 57.88 56.71 2dj0 h LEU 84 Cb 0.33 -0.19 0.15 0.00 1.08 0.00 0.00 40.66 42.03 2dj0 h LEU 84 CO 0.00 1.67 0.27 0.28 -1.08 0.00 0.00 178.44 179.58 2dj0 s THR 85 N -2.59 1.93 -0.41 0.22 -1.32 -1.11 -5.00 115.64 107.35 2dj0 s THR 85 Ca -0.13 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.40 2dj0 s THR 85 Cb 0.06 -2.69 0.44 0.00 -1.51 0.00 0.00 72.50 68.79 2dj0 s THR 85 CO 0.86 0.00 1.27 0.29 -2.21 0.00 0.00 174.62 174.83 2dj0 n LYS 86 N -4.02 3.42 -0.62 7.08 4.76 -1.26 -4.68 118.16 122.84 2dj0 n LYS 86 Ca 0.08 -4.20 0.02 0.00 -2.87 0.00 0.00 58.31 51.34 2dj0 n LYS 86 Cb 0.59 -2.27 0.23 0.00 -1.84 0.00 0.00 35.03 31.75 2dj0 n LYS 86 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2dj0 n GLN 87 N -0.62 2.49 -3.67 1.97 6.02 -1.26 -4.80 117.38 117.51 2dj0 n GLN 87 Ca 0.44 -2.98 -0.08 0.00 -0.01 0.00 0.00 57.00 54.37 2dj0 n GLN 87 Cb 0.77 -1.85 -0.09 0.00 1.02 0.00 0.00 30.24 30.09 2dj0 n GLN 87 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2dj0 s LEU 88 N -3.01 -0.57 0.00 1.08 1.43 -1.26 -4.18 118.68 112.17 2dj0 s LEU 88 Ca 0.44 1.07 -0.15 0.00 -1.03 0.00 0.00 54.13 54.46 2dj0 s LEU 88 Cb 0.37 1.53 0.21 0.00 0.03 0.00 0.00 46.19 48.34 2dj0 s LEU 88 CO 0.06 -0.22 0.77 -0.81 0.23 0.00 0.00 176.35 176.38 2dj0 n PRO 89 N 5.00 -2.51 -3.89 1.29 -0.04 -1.26 -4.60 135.00 128.99 2dj0 n PRO 89 Ca -0.14 -1.23 -0.10 0.00 -0.04 0.00 0.00 63.50 61.99 2dj0 n PRO 89 Cb 0.52 -1.15 -0.09 0.00 -0.04 0.00 0.00 33.50 32.73 2dj0 n PRO 89 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2dj0 s THR 90 N -2.40 0.12 -0.16 0.52 2.01 0.07 -4.80 115.64 111.00 2dj0 s THR 90 Ca 0.50 -0.98 -0.04 0.00 0.31 0.00 0.00 61.69 61.48 2dj0 s THR 90 Cb -0.05 -0.86 0.06 0.00 0.01 0.00 0.00 72.50 71.65 2dj0 s THR 90 CO 0.38 -0.54 0.07 -0.76 -0.69 0.00 0.00 174.62 173.09 2dj0 s LEU 91 N -2.05 0.53 0.06 4.42 1.43 -0.05 -1.90 118.68 121.11 2dj0 s LEU 91 Ca -0.06 -0.58 0.07 0.00 -1.03 0.00 0.00 54.13 52.53 2dj0 s LEU 91 Cb -0.02 -0.32 -0.03 0.00 0.03 0.00 0.00 46.19 45.85 2dj0 s LEU 91 CO -0.04 -0.33 -0.16 -0.63 0.23 0.00 0.00 176.35 175.42 2dj0 s ILE 92 N 2.07 2.93 -0.33 -0.59 1.01 -1.14 -0.53 121.20 124.62 2dj0 s ILE 92 Ca 0.02 -1.24 -0.07 0.00 0.00 0.00 0.00 60.65 59.36 2dj0 s ILE 92 Cb -0.16 -2.28 0.03 0.00 0.01 0.00 0.00 42.46 40.07 2dj0 s ILE 92 CO -0.08 0.26 0.11 -0.22 0.00 0.00 0.00 174.94 175.01 2dj0 s LEU 93 N -1.69 4.28 -0.30 2.97 2.96 -0.26 -3.35 118.68 123.29 2dj0 s LEU 93 Ca 0.16 -1.06 -0.18 0.00 -0.22 0.00 0.00 54.13 52.83 2dj0 s LEU 93 Cb -0.11 -1.88 -0.02 0.00 0.50 0.00 0.00 46.19 44.69 2dj0 s LEU 93 CO 0.07 -0.31 0.50 -0.36 -1.32 0.00 0.00 176.35 174.93 2dj0 s PHE 94 N 1.43 3.22 -0.30 5.38 0.08 -0.88 -1.50 117.98 125.41 2dj0 s PHE 94 Ca -0.01 0.39 -0.01 0.00 0.12 0.00 0.00 56.93 57.42 2dj0 s PHE 94 Cb -0.19 -2.81 0.10 0.00 -0.57 0.00 0.00 43.02 39.55 2dj0 s PHE 94 CO 0.03 -0.40 0.10 -0.65 -0.10 0.00 0.00 175.22 174.20 2dj0 s GLN 95 N 2.33 0.62 0.00 0.44 -0.21 -1.12 -2.61 119.66 119.11 2dj0 s GLN 95 Ca 0.19 -0.96 0.00 0.00 0.02 0.00 0.00 55.36 54.62 2dj0 s GLN 95 Cb -0.16 -1.85 0.00 0.00 1.00 0.00 0.00 33.01 32.01 2dj0 s GLN 95 CO 0.11 -0.98 0.00 0.41 -2.12 0.00 0.00 175.29 172.71 2dj0 n GLY 96 N 4.92 0.87 0.26 3.09 0.00 -1.22 -4.31 105.19 108.79 2dj0 n GLY 96 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2dj0 n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dj0 n GLY 97 N -1.54 0.75 2.25 -0.02 0.00 -1.26 -4.88 105.19 100.48 2dj0 n GLY 97 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2dj0 n GLY 97 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2dj0 n LYS 98 N -2.05 0.80 -3.15 1.61 0.00 -1.26 -4.99 118.16 109.11 2dj0 n LYS 98 Ca 0.00 -2.31 -0.45 0.00 -0.00 0.00 0.00 58.31 55.55 2dj0 n LYS 98 Cb 0.00 1.13 -0.04 0.00 -0.00 0.00 0.00 35.03 36.12 2dj0 n LYS 98 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2dj0 s GLU 99 N -3.06 3.18 0.04 -1.58 2.12 -1.26 -2.81 118.70 115.32 2dj0 s GLU 99 Ca 0.11 -1.59 -0.23 0.00 0.36 0.00 0.00 54.97 53.62 2dj0 s GLU 99 Cb 0.01 -4.36 -0.16 0.00 0.26 0.00 0.00 34.13 29.88 2dj0 s GLU 99 CO 0.08 -1.50 1.46 0.00 -0.54 0.00 0.00 175.26 174.76 2dj0 h ALA 100 N 8.90 0.09 -2.63 6.30 0.00 -1.57 -3.47 119.26 126.88 2dj0 h ALA 100 Ca -0.19 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 2dj0 h ALA 100 Cb 1.08 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.69 2dj0 h ALA 100 CO 1.04 -0.24 0.03 0.00 0.00 0.00 0.00 179.25 180.08 2dj0 s MET 101 N -4.98 1.07 0.07 0.00 0.00 -1.21 -5.02 119.30 109.23 2dj0 s MET 101 Ca -0.15 -0.39 0.05 0.00 0.00 0.00 0.00 55.69 55.21 2dj0 s MET 101 Cb 0.04 0.48 -0.03 0.00 0.00 0.00 0.00 34.83 35.33 2dj0 s MET 101 CO 0.69 -0.41 -0.15 -0.98 0.00 0.00 0.00 175.02 174.18 2dj0 s ARG 102 N -2.95 0.86 -0.07 3.16 1.70 -1.26 -1.10 118.95 119.29 2dj0 s ARG 102 Ca -0.02 -0.96 -0.03 0.00 -0.47 0.00 0.00 55.73 54.25 2dj0 s ARG 102 Cb -0.00 -0.90 0.04 0.00 -0.57 0.00 0.00 34.95 33.52 2dj0 s ARG 102 CO -0.06 0.20 0.14 0.50 -1.08 0.00 0.00 175.30 175.01 2dj0 s ARG 103 N -1.70 0.04 1.07 3.89 6.06 0.31 -3.52 118.95 125.10 2dj0 s ARG 103 Ca -0.01 0.49 -0.14 0.00 -2.50 0.00 0.00 55.73 53.56 2dj0 s ARG 103 Cb -0.10 -0.27 0.22 0.00 0.06 0.00 0.00 34.95 34.87 2dj0 s ARG 103 CO 0.02 -0.27 1.10 -1.25 -2.50 0.00 0.00 175.30 172.40 2dj0 s PRO 104 N 1.95 -0.16 -0.03 5.12 0.04 -1.26 -0.87 135.00 139.79 2dj0 s PRO 104 Ca -0.00 0.32 -0.03 0.00 0.04 0.00 0.00 61.00 61.33 2dj0 s PRO 104 Cb -0.12 -1.69 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 2dj0 s PRO 104 CO -0.05 -3.08 0.15 -1.14 0.04 0.00 0.00 177.00 172.92 2dj0 s GLN 105 N -5.09 3.36 -0.09 4.56 0.74 -1.23 -4.92 119.66 116.99 2dj0 s GLN 105 Ca 0.67 -0.32 -0.16 0.00 0.05 0.00 0.00 55.36 55.60 2dj0 s GLN 105 Cb -0.16 -3.06 -0.05 0.00 1.10 0.00 0.00 33.01 30.84 2dj0 s GLN 105 CO 0.57 0.69 0.42 0.42 -0.55 0.00 0.00 175.29 176.84 2dj0 s ILE 106 N -1.25 5.16 1.08 -2.34 -1.09 -1.26 -1.88 121.20 119.62 2dj0 s ILE 106 Ca 0.24 0.84 -0.16 0.00 -2.23 0.00 0.00 60.65 59.34 2dj0 s ILE 106 Cb -0.12 -3.75 0.23 0.00 -1.58 0.00 0.00 42.46 37.24 2dj0 s ILE 106 CO 0.15 0.42 1.15 -0.62 -1.23 0.00 0.00 174.94 174.81 2dj0 s ASP 107 N 0.06 2.04 0.22 3.58 2.15 -0.44 -4.87 116.67 119.42 2dj0 s ASP 107 Ca 0.23 0.70 -0.08 0.00 0.43 0.00 0.00 52.55 53.83 2dj0 s ASP 107 Cb -0.15 -1.03 0.22 0.00 -0.30 0.00 0.00 42.92 41.66 2dj0 s ASP 107 CO 0.10 -3.44 1.88 0.50 -0.17 0.00 0.00 175.17 174.05 2dj0 h LYS 108 N -2.11 1.04 -0.11 4.34 1.63 -1.98 -2.73 116.57 116.66 2dj0 h LYS 108 Ca -0.47 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.26 2dj0 h LYS 108 Cb 1.30 -0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 32.68 2dj0 h LYS 108 CO 0.43 0.69 0.07 0.87 -3.45 0.00 0.00 179.45 178.06 2dj0 h LYS 109 N 1.08 0.14 0.00 1.90 6.56 -2.04 -3.47 116.57 120.74 2dj0 h LYS 109 Ca 0.32 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.90 2dj0 h LYS 109 Cb -0.06 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 31.57 2dj0 h LYS 109 CO -0.09 0.12 0.00 0.41 -2.06 0.00 0.00 179.45 177.83 2dj0 n GLY 110 N -1.06 0.54 3.03 3.86 0.00 -1.03 -5.16 105.19 105.38 2dj0 n GLY 110 Ca -0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 2dj0 n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dj0 s ARG 111 N 0.00 0.96 -0.29 1.61 0.52 -1.26 -4.90 118.95 115.59 2dj0 s ARG 111 Ca 0.00 -0.36 -0.29 0.00 -0.52 0.00 0.00 55.73 54.56 2dj0 s ARG 111 Cb 0.00 -0.91 0.01 0.00 0.52 0.00 0.00 34.95 34.57 2dj0 s ARG 111 CO 0.00 0.17 1.19 0.00 0.02 0.00 0.00 175.30 176.68 2dj0 s ALA 112 N -0.02 3.47 0.35 2.13 0.00 -1.26 -1.32 121.76 125.12 2dj0 s ALA 112 Ca 0.00 0.08 -0.29 0.00 0.00 0.00 0.00 51.96 51.75 2dj0 s ALA 112 Cb -0.07 -3.70 -0.11 0.00 0.00 0.00 0.00 23.12 19.24 2dj0 s ALA 112 CO 0.00 -1.54 1.51 0.08 0.00 0.00 0.00 175.76 175.81 2dj0 s VAL 113 N 3.90 2.06 -0.41 0.00 1.01 -0.78 -4.85 120.40 121.33 2dj0 s VAL 113 Ca 0.51 0.06 -0.27 0.00 0.00 0.00 0.00 61.98 62.28 2dj0 s VAL 113 Cb -0.15 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 2dj0 s VAL 113 CO 0.18 0.01 2.06 -0.94 0.00 0.00 0.00 175.10 176.42 2dj0 s SER 114 N 0.03 5.27 -0.10 3.32 1.04 -1.26 -4.64 113.70 117.36 2dj0 s SER 114 Ca 0.56 1.16 0.03 0.00 0.48 0.00 0.00 55.95 58.17 2dj0 s SER 114 Cb -0.47 -2.52 -0.01 0.00 0.10 0.00 0.00 66.02 63.13 2dj0 s SER 114 CO 0.59 -2.22 -0.20 0.86 0.98 0.00 0.00 173.24 173.24 2dj0 s TRP 115 N 9.08 2.63 -0.04 5.02 -0.00 -1.26 -5.09 118.94 129.28 2dj0 s TRP 115 Ca 0.86 -0.84 -0.30 0.00 -0.00 0.00 0.00 56.10 55.82 2dj0 s TRP 115 Cb -0.21 -1.73 -0.05 0.00 -0.00 0.00 0.00 33.47 31.47 2dj0 s TRP 115 CO 0.29 -0.30 1.53 0.99 -0.00 0.00 0.00 176.95 179.45 2dj0 s THR 116 N 0.23 3.64 -0.98 5.86 2.01 -1.26 -4.94 115.64 120.19 2dj0 s THR 116 Ca -0.13 0.90 -0.18 0.00 0.31 0.00 0.00 61.69 62.59 2dj0 s THR 116 Cb -0.16 -3.58 0.13 0.00 0.01 0.00 0.00 72.50 68.89 2dj0 s THR 116 CO 0.07 -0.05 1.21 -0.36 -0.69 0.00 0.00 174.62 174.80 2dj0 s PHE 117 N 3.28 3.13 0.40 4.92 0.40 -1.26 -4.80 117.98 124.05 2dj0 s PHE 117 Ca 0.68 -1.47 0.01 0.00 -0.60 0.00 0.00 56.93 55.56 2dj0 s PHE 117 Cb -0.32 -4.32 -0.01 0.00 0.51 0.00 0.00 43.02 38.88 2dj0 s PHE 117 CO 0.27 -1.51 0.05 -1.13 0.70 0.00 0.00 175.22 173.60 2dj0 n SER 118 N 6.61 2.40 0.04 1.36 3.41 -1.26 -4.97 113.62 121.21 2dj0 n SER 118 Ca 0.27 -2.89 0.12 0.00 -0.26 0.00 0.00 58.87 56.11 2dj0 n SER 118 Cb 0.48 0.54 0.19 0.00 -0.26 0.00 0.00 64.21 65.16 2dj0 n SER 118 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2dj0 n GLU 119 N -0.97 0.23 -0.09 4.33 2.13 -1.26 -3.59 120.64 121.42 2dj0 n GLU 119 Ca -0.13 0.06 -0.11 0.00 0.66 0.00 0.00 57.16 57.65 2dj0 n GLU 119 Cb 0.54 -1.64 -0.04 0.00 0.27 0.00 0.00 31.44 30.57 2dj0 n GLU 119 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2dj0 n GLU 120 N -1.97 0.50 -0.15 5.31 2.13 -1.26 -3.66 120.64 121.55 2dj0 n GLU 120 Ca 0.04 0.44 0.22 0.00 0.66 0.00 0.00 57.16 58.52 2dj0 n GLU 120 Cb 0.42 -1.63 0.63 0.00 0.27 0.00 0.00 31.44 31.12 2dj0 n GLU 120 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 2dj0 h ASN 121 N -1.00 0.17 -0.13 4.31 4.21 -1.88 0.54 115.58 121.79 2dj0 h ASN 121 Ca -0.12 0.01 -0.06 0.00 1.21 0.00 0.00 56.30 57.34 2dj0 h ASN 121 Cb 0.85 -0.02 -0.00 0.00 -1.12 0.00 0.00 38.32 38.03 2dj0 h ASN 121 CO -0.07 0.07 -0.16 0.58 -1.29 0.00 0.00 177.43 176.56 2dj0 h VAL 122 N 0.17 1.36 -0.39 2.81 2.07 -1.75 0.17 116.25 120.69 2dj0 h VAL 122 Ca 0.38 -1.35 -0.09 0.00 0.82 0.00 0.00 66.70 66.46 2dj0 h VAL 122 Cb 1.26 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.94 2dj0 h VAL 122 CO -0.07 0.39 -0.13 0.40 0.02 0.00 0.00 177.57 178.18 2dj0 h ILE 123 N -0.04 1.26 -0.00 4.57 2.04 -1.20 -0.65 117.51 123.48 2dj0 h ILE 123 Ca 0.02 -1.17 -0.01 0.00 1.00 0.00 0.00 64.86 64.70 2dj0 h ILE 123 Cb 0.70 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 2dj0 h ILE 123 CO 0.04 0.39 -0.04 -0.09 0.00 0.00 0.00 178.15 178.45 2dj0 h ARG 124 N 0.63 0.03 0.56 2.37 2.43 -0.96 0.22 114.38 119.66 2dj0 h ARG 124 Ca 0.11 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 2dj0 h ARG 124 Cb 0.59 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 2dj0 h ARG 124 CO 0.04 0.77 -0.31 0.93 -1.51 0.00 0.00 179.97 179.89 2dj0 h GLU 125 N -0.69 -0.77 -0.01 0.20 4.39 -0.66 -2.24 114.58 114.80 2dj0 h GLU 125 Ca -0.00 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.75 2dj0 h GLU 125 Cb 0.78 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 2dj0 h GLU 125 CO 0.01 -0.52 0.00 1.19 -1.16 0.00 0.00 179.01 178.53 2dj0 n PHE 126 N -5.45 0.01 -4.17 4.33 3.01 -0.25 -4.91 117.46 110.02 2dj0 n PHE 126 Ca -0.12 -0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.04 2dj0 n PHE 126 Cb 0.34 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.75 2dj0 n PHE 126 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2dj0 n ASN 127 N -0.75 0.27 0.02 4.37 3.02 0.55 -4.81 115.26 117.92 2dj0 n ASN 127 Ca 0.21 -1.16 -0.11 0.00 -0.03 0.00 0.00 54.58 53.49 2dj0 n ASN 127 Cb 0.14 -2.22 -0.06 0.00 -0.61 0.00 0.00 39.78 37.03 2dj0 n ASN 127 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2dj0 h LEU 128 N -1.78 -0.08 -0.94 3.41 3.38 -1.13 -1.76 115.31 116.41 2dj0 h LEU 128 Ca -0.64 0.02 0.27 0.00 0.09 0.00 0.00 57.88 57.61 2dj0 h LEU 128 Cb 1.39 0.05 -0.17 0.00 0.09 0.00 0.00 40.66 42.02 2dj0 h LEU 128 CO 0.68 -0.03 0.14 0.78 0.09 0.00 0.00 178.44 180.09 2dj0 h ASN 129 N -0.02 -0.25 0.44 -0.43 4.21 -1.89 -0.17 115.58 117.47 2dj0 h ASN 129 Ca 0.03 0.25 -0.02 0.00 1.21 0.00 0.00 56.30 57.76 2dj0 h ASN 129 Cb 0.06 0.39 0.00 0.00 -1.12 0.00 0.00 38.32 37.66 2dj0 h ASN 129 CO -0.07 -0.29 -0.21 -0.33 -1.29 0.00 0.00 177.43 175.24 2dj0 h GLU 130 N 0.07 -0.58 -0.92 0.81 4.39 -1.80 -3.31 114.58 113.25 2dj0 h GLU 130 Ca 0.59 0.04 0.15 0.00 0.34 0.00 0.00 59.36 60.48 2dj0 h GLU 130 Cb 1.25 0.13 -0.15 0.00 -0.10 0.00 0.00 28.75 29.87 2dj0 h GLU 130 CO -0.81 -0.38 -0.33 1.28 -1.16 0.00 0.00 179.01 177.61 2dj0 n LEU 131 N -5.09 -0.53 -4.77 1.33 4.77 -0.63 -4.35 117.00 107.73 2dj0 n LEU 131 Ca -0.07 1.60 -0.38 0.00 -0.03 0.00 0.00 56.01 57.13 2dj0 n LEU 131 Cb 0.24 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 40.92 2dj0 n LEU 131 CO 0.18 -1.46 0.86 -0.55 -1.33 0.00 0.00 177.39 175.09 2dj0 s SER 132 N -5.31 6.32 0.00 -1.43 0.15 -0.17 -4.86 113.70 108.39 2dj0 s SER 132 Ca -0.13 2.40 0.00 0.00 0.70 0.00 0.00 55.95 58.92 2dj0 s SER 132 Cb 0.20 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 2dj0 s SER 132 CO 0.67 -0.82 0.00 0.61 1.20 0.00 0.00 173.24 174.90 2dj0 n GLY 133 N 0.58 1.91 0.08 9.45 0.00 -1.26 -4.90 105.19 111.06 2dj0 n GLY 133 Ca 0.05 -1.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.33 2dj0 n GLY 133 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dj0 h PRO 134 N 0.00 -0.08 -3.26 1.61 0.13 -1.92 -3.47 132.00 125.01 2dj0 h PRO 134 Ca 0.00 0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 64.99 2dj0 h PRO 134 Cb 0.00 0.02 -0.22 0.00 0.13 0.00 0.00 31.00 30.92 2dj0 h PRO 134 CO 0.00 0.38 -0.42 0.45 -0.23 0.00 0.00 178.00 178.18 2dj0 s SER 135 N -5.58 -0.13 0.14 1.44 0.15 -1.26 -5.07 113.70 103.39 2dj0 s SER 135 Ca -0.15 0.13 -0.30 0.00 0.70 0.00 0.00 55.95 56.32 2dj0 s SER 135 Cb 0.02 0.34 -0.06 0.00 -1.71 0.00 0.00 66.02 64.61 2dj0 s SER 135 CO 0.63 -0.28 1.56 0.28 1.20 0.00 0.00 173.24 176.63 2dj0 h SER 136 N 4.76 -1.75 -0.03 5.45 0.02 -1.95 -3.54 113.55 116.51 2dj0 h SER 136 Ca -0.29 0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2dj0 h SER 136 Cb 1.19 0.74 0.00 0.00 0.14 0.00 0.00 62.40 64.47 2dj0 h SER 136 CO 0.39 -0.38 0.00 0.61 -1.14 0.00 0.00 176.83 176.31