#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 0.48 0.51 1.61 0.01 -1.26 -5.15 113.70 109.90 2dj0 s SER 2 Ca 0.00 -1.29 -0.21 0.00 1.31 0.00 0.00 55.95 55.76 2dj0 s SER 2 Cb 0.00 0.70 -0.07 0.00 0.21 0.00 0.00 66.02 66.86 2dj0 s SER 2 CO 0.00 -1.37 1.14 -0.55 0.41 0.00 0.00 173.24 172.87 2dj0 s SER 3 N -3.15 5.94 -0.38 2.44 0.15 -1.26 -4.94 113.70 112.50 2dj0 s SER 3 Ca 0.25 2.22 0.02 0.00 0.70 0.00 0.00 55.95 59.14 2dj0 s SER 3 Cb -0.02 -2.59 0.50 0.00 -1.71 0.00 0.00 66.02 62.20 2dj0 s SER 3 CO 0.16 -1.07 1.78 0.61 1.20 0.00 0.00 173.24 175.91 2dj0 n GLY 4 N 0.27 4.18 3.54 9.45 0.00 -1.26 -4.92 105.19 116.45 2dj0 n GLY 4 Ca 0.10 -1.02 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 2dj0 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dj0 s SER 5 N -0.85 0.13 -0.05 1.61 0.01 -1.26 -5.16 113.70 108.12 2dj0 s SER 5 Ca 0.46 -1.09 -0.01 0.00 1.31 0.00 0.00 55.95 56.62 2dj0 s SER 5 Cb 0.38 0.59 0.03 0.00 0.21 0.00 0.00 66.02 67.23 2dj0 s SER 5 CO 0.07 -1.16 0.02 -0.44 0.41 0.00 0.00 173.24 172.15 2dj0 s SER 6 N -3.08 1.16 0.00 2.44 0.01 -1.26 -5.02 113.70 107.96 2dj0 s SER 6 Ca 0.25 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.51 2dj0 s SER 6 Cb 0.00 -0.28 0.00 0.00 0.21 0.00 0.00 66.02 65.95 2dj0 s SER 6 CO 0.12 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.18 2dj0 n GLY 7 N 4.98 -0.81 3.24 3.44 0.00 -1.26 -4.98 105.19 109.80 2dj0 n GLY 7 Ca -0.10 0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 1.74 0.04 1.61 1.13 -1.26 -5.11 117.35 115.50 2dj0 s TYR 8 Ca 0.00 -0.38 0.02 0.00 -1.41 0.00 0.00 57.07 55.30 2dj0 s TYR 8 Cb 0.00 -1.03 -0.02 0.00 -1.10 0.00 0.00 41.96 39.81 2dj0 s TYR 8 CO 0.00 0.10 -0.07 0.42 -2.51 0.00 0.00 175.55 173.49 2dj0 s ILE 9 N -0.86 0.52 -0.07 -3.49 1.01 -1.26 -4.77 121.20 112.28 2dj0 s ILE 9 Ca 0.07 -0.95 -0.27 0.00 0.00 0.00 0.00 60.65 59.49 2dj0 s ILE 9 Cb -0.09 -0.57 -0.03 0.00 0.01 0.00 0.00 42.46 41.79 2dj0 s ILE 9 CO 0.02 -0.31 0.86 -0.54 0.00 0.00 0.00 174.94 174.97 2dj0 s LYS 10 N -1.37 4.45 -0.19 2.79 -0.14 -0.84 -4.93 119.74 119.52 2dj0 s LYS 10 Ca -0.08 1.16 -0.11 0.00 -1.36 0.00 0.00 55.97 55.57 2dj0 s LYS 10 Cb -0.09 -3.49 -0.05 0.00 -1.68 0.00 0.00 37.83 32.53 2dj0 s LYS 10 CO 0.00 -0.10 0.19 0.71 -0.76 0.00 0.00 175.35 175.40 2dj0 s TYR 11 N 1.28 3.42 0.09 3.18 1.51 -1.26 -0.88 117.35 124.69 2dj0 s TYR 11 Ca 0.44 0.42 0.09 0.00 -1.01 0.00 0.00 57.07 57.01 2dj0 s TYR 11 Cb -0.19 -2.23 -0.03 0.00 -0.11 0.00 0.00 41.96 39.40 2dj0 s TYR 11 CO 0.20 0.26 -0.23 -0.06 -1.11 0.00 0.00 175.55 174.62 2dj0 s PHE 12 N 0.43 1.95 0.39 2.71 0.08 -1.07 -4.96 117.98 117.51 2dj0 s PHE 12 Ca 0.11 -0.40 0.08 0.00 0.12 0.00 0.00 56.93 56.84 2dj0 s PHE 12 Cb -0.12 -1.10 -0.01 0.00 -0.57 0.00 0.00 43.02 41.23 2dj0 s PHE 12 CO 0.00 0.20 0.45 -0.80 -0.10 0.00 0.00 175.22 174.97 2dj0 s ASN 13 N -1.72 5.44 0.66 1.36 -0.87 -1.26 -4.61 114.94 113.93 2dj0 s ASN 13 Ca 0.09 -0.51 0.32 0.00 -1.57 0.00 0.00 52.86 51.19 2dj0 s ASN 13 Cb -0.10 -0.76 1.75 0.00 -0.02 0.00 0.00 41.25 42.12 2dj0 s ASN 13 CO 0.04 -0.61 2.00 -2.24 -2.57 0.00 0.00 177.10 173.72 2dj0 h ASP 14 N 0.90 0.00 0.00 -1.22 2.03 -1.99 0.31 116.42 116.46 2dj0 h ASP 14 Ca -0.42 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.88 2dj0 h ASP 14 Cb 1.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 2dj0 h ASP 14 CO 0.52 0.00 -0.54 1.17 -1.03 0.00 0.00 179.24 179.36 2dj0 n LYS 15 N -3.01 0.29 -0.31 4.15 0.00 -1.26 -4.59 118.16 113.42 2dj0 n LYS 15 Ca -0.01 0.11 0.10 0.00 0.00 0.00 0.00 58.31 58.51 2dj0 n LYS 15 Cb 0.34 -1.00 0.27 0.00 0.00 0.00 0.00 35.03 34.64 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 -0.54 0.67 -1.25 3.15 1.35 -1.93 -0.71 112.91 113.66 2dj0 h THR 16 Ca 0.00 -0.21 0.44 0.00 -0.55 0.00 0.00 66.41 66.09 2dj0 h THR 16 Cb 0.54 -0.00 -0.14 0.00 -1.73 0.00 0.00 68.15 66.82 2dj0 h THR 16 CO 0.00 0.11 0.79 0.00 -0.25 0.00 0.00 175.52 176.17 2dj0 n ILE 17 N -4.87 -0.26 -0.01 6.82 3.06 0.11 -0.29 119.36 123.91 2dj0 n ILE 17 Ca 0.20 1.73 -0.00 0.00 -2.50 0.00 0.00 62.75 62.18 2dj0 n ILE 17 Cb 0.52 -2.83 -0.00 0.00 0.54 0.00 0.00 39.64 37.87 2dj0 n ILE 17 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 2dj0 h ASP 18 N 0.00 0.00 -1.83 9.51 5.19 -1.35 -3.13 116.42 124.81 2dj0 h ASP 18 Ca 0.83 0.00 0.53 0.00 -0.62 0.00 0.00 57.03 57.77 2dj0 h ASP 18 Cb 2.59 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 42.03 2dj0 h ASP 18 CO -0.48 0.14 1.32 -1.84 -3.12 0.00 0.00 179.24 175.25 2dj0 n GLU 19 N -2.70 -0.00 0.01 3.56 -0.00 -0.74 0.20 120.64 120.98 2dj0 n GLU 19 Ca -0.01 1.01 -0.18 0.00 -0.00 0.00 0.00 57.16 57.98 2dj0 n GLU 19 Cb 0.02 -2.32 -0.12 0.00 -0.00 0.00 0.00 31.44 29.03 2dj0 n GLU 19 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2dj0 h GLU 20 N 0.00 0.38 0.00 3.44 4.57 -0.79 -2.71 114.58 119.47 2dj0 h GLU 20 Ca 0.87 -0.43 0.00 0.00 -1.18 0.00 0.00 59.36 58.62 2dj0 h GLU 20 Cb 3.50 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 32.22 2dj0 h GLU 20 CO -0.02 1.11 0.00 1.28 -1.18 0.00 0.00 179.01 180.20 2dj0 n LEU 21 N -4.23 0.00 0.01 1.64 4.77 0.55 -1.93 117.00 117.81 2dj0 n LEU 21 Ca -0.11 0.47 -0.02 0.00 -0.03 0.00 0.00 56.01 56.33 2dj0 n LEU 21 Cb 0.68 -0.47 -0.10 0.00 -2.33 0.00 0.00 43.42 41.20 2dj0 n LEU 21 CO 0.46 -0.05 -0.44 1.21 -1.33 0.00 0.00 177.39 177.25 2dj0 n GLU 22 N -1.47 0.63 -0.01 3.23 4.07 0.98 -2.59 120.64 125.48 2dj0 n GLU 22 Ca 0.07 0.19 -0.03 0.00 -0.06 0.00 0.00 57.16 57.33 2dj0 n GLU 22 Cb 0.29 -1.76 -0.12 0.00 -0.06 0.00 0.00 31.44 29.79 2dj0 n GLU 22 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 2dj0 n ARG 23 N -2.86 0.64 -0.58 5.31 1.85 -1.03 -4.19 116.66 115.81 2dj0 n ARG 23 Ca -0.13 0.14 0.02 0.00 -1.00 0.00 0.00 57.85 56.89 2dj0 n ARG 23 Cb 0.88 -1.71 0.21 0.00 -1.05 0.00 0.00 32.46 30.79 2dj0 n ARG 23 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 2dj0 n ASP 24 N -2.82 2.73 -0.08 2.89 5.68 -0.81 -4.84 116.55 119.29 2dj0 n ASP 24 Ca -0.15 -3.50 -0.02 0.00 -0.50 0.00 0.00 54.79 50.62 2dj0 n ASP 24 Cb 0.92 -0.57 -0.02 0.00 -1.14 0.00 0.00 41.12 40.31 2dj0 n ASP 24 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2dj0 n LYS 25 N -1.01 -0.09 -0.33 0.11 5.02 -1.07 -0.11 118.16 120.68 2dj0 n LYS 25 Ca 0.26 0.98 0.03 0.00 -2.02 0.00 0.00 58.31 57.57 2dj0 n LYS 25 Cb 0.90 -1.47 0.10 0.00 -0.02 0.00 0.00 35.03 34.55 2dj0 n LYS 25 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2dj0 n ARG 26 N -3.38 -0.12 -2.00 1.97 1.85 -1.26 -2.43 116.66 111.28 2dj0 n ARG 26 Ca 0.00 1.40 -0.42 0.00 -1.00 0.00 0.00 57.85 57.84 2dj0 n ARG 26 Cb 0.05 -2.09 -0.03 0.00 -1.05 0.00 0.00 32.46 29.34 2dj0 n ARG 26 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2dj0 s VAL 27 N -6.05 2.77 0.22 8.89 1.01 0.84 -4.58 120.40 123.50 2dj0 s VAL 27 Ca -0.13 0.58 -0.30 0.00 0.00 0.00 0.00 61.98 62.13 2dj0 s VAL 27 Cb 0.23 -3.37 -0.09 0.00 0.00 0.00 0.00 36.38 33.15 2dj0 s VAL 27 CO 0.69 0.06 1.17 -0.89 0.00 0.00 0.00 175.10 176.12 2dj0 s THR 28 N 0.81 3.52 -0.08 3.92 2.01 -1.26 -4.60 115.64 119.95 2dj0 s THR 28 Ca 0.66 1.36 -0.00 0.00 0.31 0.00 0.00 61.69 64.02 2dj0 s THR 28 Cb -0.42 -3.87 0.02 0.00 0.01 0.00 0.00 72.50 68.25 2dj0 s THR 28 CO 0.34 0.26 -0.04 0.26 -0.69 0.00 0.00 174.62 174.75 2dj0 s TRP 29 N -0.46 1.05 -0.45 4.92 0.52 -1.05 -3.86 118.94 119.61 2dj0 s TRP 29 Ca 0.50 -0.42 -0.12 0.00 0.02 0.00 0.00 56.10 56.07 2dj0 s TRP 29 Cb -0.33 -0.97 0.08 0.00 -1.15 0.00 0.00 33.47 31.11 2dj0 s TRP 29 CO 0.39 -0.38 0.33 -1.50 0.02 0.00 0.00 176.95 175.81 2dj0 s ILE 30 N 1.63 4.68 -0.14 2.03 2.07 -1.11 -1.91 121.20 128.46 2dj0 s ILE 30 Ca 0.01 -1.30 -0.09 0.00 -1.41 0.00 0.00 60.65 57.86 2dj0 s ILE 30 Cb -0.13 -3.86 -0.05 0.00 0.13 0.00 0.00 42.46 38.56 2dj0 s ILE 30 CO -0.05 -0.58 0.17 -0.69 -1.91 0.00 0.00 174.94 171.88 2dj0 s VAL 31 N 1.52 5.42 -0.39 4.00 1.01 -1.10 -2.15 120.40 128.71 2dj0 s VAL 31 Ca 0.04 0.28 -0.05 0.00 0.00 0.00 0.00 61.98 62.25 2dj0 s VAL 31 Cb -0.24 -3.47 0.08 0.00 0.00 0.00 0.00 36.38 32.75 2dj0 s VAL 31 CO 0.04 0.53 0.18 -0.70 0.00 0.00 0.00 175.10 175.15 2dj0 s GLU 32 N -0.43 2.34 -0.24 2.72 2.12 -0.79 -2.41 118.70 122.01 2dj0 s GLU 32 Ca 0.14 -1.55 -0.29 0.00 0.36 0.00 0.00 54.97 53.63 2dj0 s GLU 32 Cb -0.12 -3.57 0.01 0.00 0.26 0.00 0.00 34.13 30.71 2dj0 s GLU 32 CO 0.03 -0.92 1.05 -0.06 -0.54 0.00 0.00 175.26 174.81 2dj0 s PHE 33 N 1.28 3.31 0.11 5.30 0.40 0.11 -3.46 117.98 125.03 2dj0 s PHE 33 Ca 0.03 1.42 -0.02 0.00 -0.60 0.00 0.00 56.93 57.77 2dj0 s PHE 33 Cb -0.22 -3.34 -0.04 0.00 0.51 0.00 0.00 43.02 39.93 2dj0 s PHE 33 CO -0.01 -0.53 0.05 -0.59 0.70 0.00 0.00 175.22 174.83 2dj0 s PHE 34 N 3.27 0.71 0.14 0.36 -0.71 -1.22 0.06 117.98 120.60 2dj0 s PHE 34 Ca 0.44 -1.14 0.08 0.00 -1.04 0.00 0.00 56.93 55.27 2dj0 s PHE 34 Cb -0.15 -0.41 -0.04 0.00 -1.21 0.00 0.00 43.02 41.21 2dj0 s PHE 34 CO 0.08 -0.49 -0.08 0.00 -1.34 0.00 0.00 175.22 173.39 2dj0 s ALA 35 N -4.00 3.01 0.32 1.99 0.00 -1.26 -1.72 121.76 120.09 2dj0 s ALA 35 Ca 0.18 -1.33 0.06 0.00 0.00 0.00 0.00 51.96 50.87 2dj0 s ALA 35 Cb 0.07 -0.87 0.53 0.00 0.00 0.00 0.00 23.12 22.85 2dj0 s ALA 35 CO -0.02 0.56 1.77 -2.95 0.00 0.00 0.00 175.76 175.12 2dj0 h ASN 36 N 3.22 0.32 -0.40 0.00 -1.07 -1.96 -2.35 115.58 113.34 2dj0 h ASN 36 Ca -0.48 -0.10 -0.06 0.00 0.07 0.00 0.00 56.30 55.73 2dj0 h ASN 36 Cb 1.18 -0.09 -0.03 0.00 -2.07 0.00 0.00 38.32 37.31 2dj0 h ASN 36 CO 0.54 0.59 0.07 -2.67 0.07 0.00 0.00 177.43 176.04 2dj0 n TRP 37 N -4.13 1.39 -3.46 4.14 4.27 -1.26 -4.88 117.44 113.51 2dj0 n TRP 37 Ca -0.01 -0.61 -0.37 0.00 -3.89 0.00 0.00 57.50 52.62 2dj0 n TRP 37 Cb 0.39 -0.41 -0.07 0.00 -1.36 0.00 0.00 31.31 29.86 2dj0 n TRP 37 CO 0.00 0.00 0.00 -1.54 -2.29 0.00 0.00 177.69 173.86 2dj0 s SER 38 N -0.46 6.44 -0.03 -0.67 1.04 -0.89 -4.96 113.70 114.17 2dj0 s SER 38 Ca 0.34 0.51 0.13 0.00 0.48 0.00 0.00 55.95 57.40 2dj0 s SER 38 Cb 0.26 -2.21 -0.22 0.00 0.10 0.00 0.00 66.02 63.95 2dj0 s SER 38 CO 0.09 0.02 0.70 0.78 0.98 0.00 0.00 173.24 175.81 2dj0 h ASN 39 N 7.02 0.00 0.31 7.02 2.35 -1.90 -3.34 115.58 127.05 2dj0 h ASN 39 Ca -0.39 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.35 2dj0 h ASN 39 Cb 1.16 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.53 2dj0 h ASN 39 CO 0.73 0.98 -0.05 0.44 -1.65 0.00 0.00 177.43 177.88 2dj0 h ASP 40 N 0.00 0.00 0.19 5.81 5.19 -1.93 -2.22 116.42 123.46 2dj0 h ASP 40 Ca -0.27 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 55.90 2dj0 h ASP 40 Cb 1.98 0.00 0.01 0.00 0.18 0.00 0.00 39.33 41.50 2dj0 h ASP 40 CO 0.08 0.05 -0.97 0.00 -3.12 0.00 0.00 179.24 175.28 2dj0 h GLN 42 N 0.31 0.00 0.00 0.00 4.20 -1.55 1.68 115.11 119.74 2dj0 h GLN 42 Ca -0.10 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.45 2dj0 h GLN 42 Cb 1.62 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.37 2dj0 h GLN 42 CO 0.18 0.00 -0.83 1.03 -0.67 0.00 0.00 178.83 178.54 2dj0 h SER 43 N 0.00 0.00 -0.38 1.46 0.87 -1.59 -3.26 113.55 110.64 2dj0 h SER 43 Ca 0.18 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 2dj0 h SER 43 Cb 0.73 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 2dj0 h SER 43 CO -0.00 0.75 0.00 0.33 -0.53 0.00 0.00 176.83 177.38 2dj0 n PHE 44 N -3.26 0.51 0.43 2.24 7.35 0.28 -4.56 117.46 120.45 2dj0 n PHE 44 Ca -0.00 -0.43 -0.17 0.00 -0.76 0.00 0.00 57.45 56.09 2dj0 n PHE 44 Cb 0.85 -0.02 -0.08 0.00 0.35 0.00 0.00 39.48 40.58 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 2.60 -1.20 0.00 3.13 0.00 0.23 -1.56 119.26 122.47 2dj0 h ALA 45 Ca 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 2dj0 h ALA 45 Cb 0.77 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2dj0 h ALA 45 CO 0.00 -1.12 -0.41 -1.00 0.00 0.00 0.00 179.25 176.72 2dj0 h PRO 46 N -1.18 0.00 -0.38 0.00 0.13 -1.83 -2.97 132.00 125.77 2dj0 h PRO 46 Ca -0.11 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.91 2dj0 h PRO 46 Cb 0.84 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 2dj0 h PRO 46 CO 0.18 0.41 -0.21 0.82 -0.23 0.00 0.00 178.00 178.98 2dj0 h ILE 47 N 0.00 1.27 -0.33 -3.56 2.04 -1.79 -2.64 117.51 112.50 2dj0 h ILE 47 Ca -0.00 -1.31 -0.17 0.00 1.00 0.00 0.00 64.86 64.37 2dj0 h ILE 47 Cb 0.81 1.20 -0.00 0.00 -0.74 0.00 0.00 36.82 38.08 2dj0 h ILE 47 CO 0.05 0.44 -0.48 0.22 0.00 0.00 0.00 178.15 178.38 2dj0 h TYR 48 N 0.66 1.11 0.46 1.37 3.20 -1.15 -2.73 116.97 119.88 2dj0 h TYR 48 Ca 0.09 -0.37 -0.02 0.00 3.14 0.00 0.00 58.73 61.58 2dj0 h TYR 48 Cb 0.71 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.76 2dj0 h TYR 48 CO 0.04 1.20 -0.27 0.00 -1.64 0.00 0.00 178.16 177.48 2dj0 h ALA 49 N 0.71 -0.69 -0.51 1.82 0.00 -1.42 0.80 119.26 119.96 2dj0 h ALA 49 Ca 0.03 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.88 2dj0 h ALA 49 Cb 1.08 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 19.14 2dj0 h ALA 49 CO 0.11 -0.90 0.16 0.22 0.00 0.00 0.00 179.25 178.84 2dj0 h ASP 50 N -0.69 0.12 0.95 0.00 1.82 -1.53 -2.12 116.42 114.97 2dj0 h ASP 50 Ca -0.05 0.07 -0.05 0.00 -0.39 0.00 0.00 57.03 56.61 2dj0 h ASP 50 Cb 0.57 0.07 0.01 0.00 0.68 0.00 0.00 39.33 40.66 2dj0 h ASP 50 CO 0.06 0.09 -0.46 -0.07 -1.61 0.00 0.00 179.24 177.25 2dj0 h LEU 51 N 0.32 -1.09 -0.60 2.28 3.38 -1.29 -2.54 115.31 115.77 2dj0 h LEU 51 Ca 0.25 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.32 2dj0 h LEU 51 Cb 0.30 0.28 -0.08 0.00 0.09 0.00 0.00 40.66 41.26 2dj0 h LEU 51 CO -0.28 -0.77 -0.42 0.77 0.09 0.00 0.00 178.44 177.83 2dj0 h SER 52 N -1.29 -1.49 -0.75 -0.43 4.64 -0.65 0.49 113.55 114.06 2dj0 h SER 52 Ca -0.13 0.22 0.14 0.00 -0.47 0.00 0.00 61.79 61.55 2dj0 h SER 52 Cb 0.98 0.65 -0.14 0.00 -0.31 0.00 0.00 62.40 63.58 2dj0 h SER 52 CO 0.22 -0.20 -0.29 -0.07 -0.87 0.00 0.00 176.83 175.62 2dj0 h LEU 53 N -0.07 -1.04 -2.00 5.97 3.38 -1.41 1.99 115.31 122.13 2dj0 h LEU 53 Ca 0.10 0.25 0.19 0.00 0.09 0.00 0.00 57.88 58.50 2dj0 h LEU 53 Cb 0.33 0.58 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 2dj0 h LEU 53 CO -0.61 -0.28 0.48 0.11 0.09 0.00 0.00 178.44 178.23 2dj0 h LYS 54 N -0.06 0.00 -0.21 1.13 1.57 -0.49 0.20 116.57 118.70 2dj0 h LYS 54 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 2dj0 h LYS 54 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2dj0 h LYS 54 CO -0.80 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 178.74 2dj0 n TYR 55 N -4.28 0.43 -2.36 -1.35 4.02 0.35 -4.70 117.16 109.28 2dj0 n TYR 55 Ca 0.13 -0.65 -0.36 0.00 -0.01 0.00 0.00 57.90 57.01 2dj0 n TYR 55 Cb 0.73 -0.12 0.02 0.00 -0.02 0.00 0.00 39.34 39.95 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 -0.16 6.61 -0.00 7.72 2.85 0.59 -4.25 115.26 128.60 2dj0 n ASN 56 Ca 0.12 -3.76 -0.02 0.00 -0.11 0.00 0.00 54.58 50.81 2dj0 n ASN 56 Cb 0.53 -0.93 -0.01 0.00 1.24 0.00 0.00 39.78 40.61 2dj0 n ASN 56 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2dj0 s THR 58 N -1.92 -0.38 0.00 0.00 2.01 -1.26 -4.96 115.64 109.13 2dj0 s THR 58 Ca -0.08 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.92 2dj0 s THR 58 Cb 0.01 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.52 2dj0 s THR 58 CO 0.11 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.65 2dj0 n GLY 59 N 4.66 3.04 3.22 4.40 0.00 -1.26 -4.99 105.19 114.27 2dj0 n GLY 59 Ca -0.16 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.70 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 2.07 0.17 0.99 2.96 -1.26 -4.25 118.68 119.35 2dj0 s LEU 60 Ca 0.00 -0.53 0.09 0.00 -0.22 0.00 0.00 54.13 53.46 2dj0 s LEU 60 Cb 0.00 -1.37 -0.04 0.00 0.50 0.00 0.00 46.19 45.28 2dj0 s LEU 60 CO 0.00 0.18 -0.19 0.20 -1.32 0.00 0.00 176.35 175.21 2dj0 s ASN 61 N 0.22 2.79 -0.05 3.68 -0.87 -1.25 -4.17 114.94 115.28 2dj0 s ASN 61 Ca -0.15 -0.85 0.05 0.00 -1.57 0.00 0.00 52.86 50.34 2dj0 s ASN 61 Cb -0.17 -0.17 -0.01 0.00 -0.02 0.00 0.00 41.25 40.89 2dj0 s ASN 61 CO 0.07 -0.01 -0.21 -0.36 -2.57 0.00 0.00 177.10 174.03 2dj0 s PHE 62 N -1.94 2.07 0.23 2.20 0.40 -1.26 -2.73 117.98 116.96 2dj0 s PHE 62 Ca 0.16 -0.64 0.01 0.00 -0.60 0.00 0.00 56.93 55.86 2dj0 s PHE 62 Cb -0.06 -1.38 -0.05 0.00 0.51 0.00 0.00 43.02 42.04 2dj0 s PHE 62 CO 0.07 -0.21 0.07 0.20 0.70 0.00 0.00 175.22 176.05 2dj0 s GLY 63 N 0.01 1.58 0.01 4.36 0.00 -0.92 -1.98 107.32 110.38 2dj0 s GLY 63 Ca -0.05 -1.78 -0.03 0.00 0.00 0.00 0.00 44.72 42.85 2dj0 s GLY 63 CO 0.03 -1.56 0.04 0.54 0.00 0.00 0.00 173.10 172.15 2dj0 s LYS 64 N -4.01 0.33 -0.21 2.90 1.02 -0.06 -1.89 119.74 117.81 2dj0 s LYS 64 Ca 0.34 -0.45 -0.04 0.00 0.02 0.00 0.00 55.97 55.85 2dj0 s LYS 64 Cb 0.07 0.13 0.11 0.00 -0.52 0.00 0.00 37.83 37.62 2dj0 s LYS 64 CO 0.11 -0.07 0.33 0.54 -0.92 0.00 0.00 175.35 175.34 2dj0 s VAL 65 N -1.23 -0.51 -0.22 3.17 0.11 -1.22 -2.60 120.40 117.89 2dj0 s VAL 65 Ca -0.13 -0.01 -0.29 0.00 -2.93 0.00 0.00 61.98 58.61 2dj0 s VAL 65 Cb -0.08 -0.72 -0.03 0.00 -1.53 0.00 0.00 36.38 34.02 2dj0 s VAL 65 CO -0.00 -0.10 1.71 1.51 -3.33 0.00 0.00 175.10 174.89 2dj0 s ASP 66 N 2.48 6.24 -0.16 3.54 -4.77 -1.26 -3.44 116.67 119.30 2dj0 s ASP 66 Ca 0.08 1.64 0.14 0.00 -3.30 0.00 0.00 52.55 51.12 2dj0 s ASP 66 Cb -0.15 -2.53 -0.24 0.00 -1.09 0.00 0.00 42.92 38.91 2dj0 s ASP 66 CO -0.14 -1.37 0.23 1.33 0.70 0.00 0.00 175.17 175.92 2dj0 n VAL 67 N 6.63 1.48 0.27 2.11 0.24 -0.70 -3.44 118.33 124.91 2dj0 n VAL 67 Ca 0.20 -0.81 0.12 0.00 -2.04 0.00 0.00 64.34 61.82 2dj0 n VAL 67 Cb 0.45 -0.76 0.55 0.00 -1.47 0.00 0.00 33.84 32.62 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 3.58 0.00 0.00 7.63 0.00 -1.83 0.94 103.07 113.39 2dj0 h GLY 68 Ca -0.47 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 2dj0 h GLY 68 CO 0.04 0.00 -1.27 -2.13 0.00 0.00 0.00 176.54 173.18 2dj0 n ARG 69 N -2.89 1.14 -3.15 4.80 0.63 -1.26 -4.87 116.66 111.06 2dj0 n ARG 69 Ca 0.01 -0.03 -0.45 0.00 -0.92 0.00 0.00 57.85 56.45 2dj0 n ARG 69 Cb 0.65 -1.12 -0.02 0.00 0.45 0.00 0.00 32.46 32.42 2dj0 n ARG 69 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2dj0 s TYR 70 N -2.28 3.56 0.08 -0.14 1.51 0.32 -4.85 117.35 115.55 2dj0 s TYR 70 Ca -0.02 -1.86 0.32 0.00 -1.01 0.00 0.00 57.07 54.50 2dj0 s TYR 70 Cb 0.03 -4.03 1.57 0.00 -0.11 0.00 0.00 41.96 39.42 2dj0 s TYR 70 CO 0.21 -1.20 1.96 0.00 -1.11 0.00 0.00 175.55 175.40 2dj0 h THR 71 N 5.04 0.00 0.50 -0.71 1.03 -1.90 -2.45 112.91 114.42 2dj0 h THR 71 Ca 0.15 -0.14 -0.02 0.00 -0.01 0.00 0.00 66.41 66.39 2dj0 h THR 71 Cb 1.00 0.93 0.00 0.00 -1.07 0.00 0.00 68.15 69.02 2dj0 h THR 71 CO 0.95 0.00 -0.24 -0.78 -0.01 0.00 0.00 175.52 175.44 2dj0 h ASP 72 N 0.00 -0.57 0.11 0.00 3.58 -1.91 -2.76 116.42 114.88 2dj0 h ASP 72 Ca 0.00 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 2dj0 h ASP 72 Cb 0.17 0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.36 2dj0 h ASP 72 CO 0.00 -0.16 -0.05 0.58 -2.88 0.00 0.00 179.24 176.72 2dj0 h VAL 73 N -1.12 0.99 -1.10 2.25 2.07 -1.88 0.43 116.25 117.88 2dj0 h VAL 73 Ca -0.07 -0.38 0.30 0.00 0.82 0.00 0.00 66.70 67.38 2dj0 h VAL 73 Cb 0.57 1.23 -0.10 0.00 -1.52 0.00 0.00 31.29 31.47 2dj0 h VAL 73 CO 0.11 0.09 0.72 0.77 0.02 0.00 0.00 177.57 179.28 2dj0 h SER 74 N -0.33 0.37 0.57 0.57 4.64 -1.57 0.36 113.55 118.16 2dj0 h SER 74 Ca -0.02 0.09 -0.24 0.00 -0.47 0.00 0.00 61.79 61.15 2dj0 h SER 74 Cb 0.27 0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.35 2dj0 h SER 74 CO 0.03 0.03 -1.60 0.41 -0.87 0.00 0.00 176.83 174.83 2dj0 n THR 75 N -4.60 1.43 0.08 2.95 -1.04 -1.04 0.66 114.28 112.72 2dj0 n THR 75 Ca 0.28 -0.75 -0.13 0.00 -2.04 0.00 0.00 64.05 61.40 2dj0 n THR 75 Cb 1.01 -0.91 -0.08 0.00 -1.82 0.00 0.00 70.33 68.53 2dj0 n THR 75 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 2dj0 h ARG 76 N 0.00 -0.19 -0.78 -2.82 2.43 0.37 -2.90 114.38 110.49 2dj0 h ARG 76 Ca -0.24 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 2dj0 h ARG 76 Cb 1.84 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.43 2dj0 h ARG 76 CO 0.06 0.11 0.00 0.66 -1.51 0.00 0.00 179.97 179.29 2dj0 n TYR 77 N -5.04 0.87 -4.15 2.20 4.02 0.28 -4.88 117.16 110.46 2dj0 n TYR 77 Ca -0.09 -0.31 -0.34 0.00 -0.01 0.00 0.00 57.90 57.16 2dj0 n TYR 77 Cb 0.21 -0.26 -0.02 0.00 -0.02 0.00 0.00 39.34 39.24 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 0.28 -3.30 -3.61 -0.72 4.01 -1.10 -4.91 118.16 108.82 2dj0 n LYS 78 Ca 0.12 0.39 -0.40 0.00 -0.51 0.00 0.00 58.31 57.90 2dj0 n LYS 78 Cb 0.63 -4.98 -0.10 0.00 -0.51 0.00 0.00 35.03 30.07 2dj0 n LYS 78 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2dj0 s VAL 79 N -3.45 4.29 -0.54 -0.18 1.01 0.21 -5.00 120.40 116.75 2dj0 s VAL 79 Ca 0.57 -1.26 -0.26 0.00 0.00 0.00 0.00 61.98 61.03 2dj0 s VAL 79 Cb -0.31 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 2dj0 s VAL 79 CO 0.92 -0.43 2.10 -0.44 0.00 0.00 0.00 175.10 177.25 2dj0 s SER 80 N 1.95 4.94 -0.77 3.32 0.01 -1.26 -4.45 113.70 117.44 2dj0 s SER 80 Ca 0.02 0.74 -0.02 0.00 1.31 0.00 0.00 55.95 58.00 2dj0 s SER 80 Cb -0.22 -2.52 0.30 0.00 0.21 0.00 0.00 66.02 63.80 2dj0 s SER 80 CO 0.03 -2.56 2.16 1.07 0.41 0.00 0.00 173.24 174.35 2dj0 n THR 81 N 7.57 3.55 -4.08 1.44 5.66 -1.26 -4.44 114.28 122.73 2dj0 n THR 81 Ca 0.28 -4.01 -0.22 0.00 -3.05 0.00 0.00 64.05 57.05 2dj0 n THR 81 Cb 0.53 -1.30 -0.04 0.00 -1.55 0.00 0.00 70.33 67.97 2dj0 n THR 81 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2dj0 s SER 82 N -0.86 5.73 0.14 1.09 0.01 -1.26 -4.66 113.70 113.90 2dj0 s SER 82 Ca 0.54 -0.16 0.19 0.00 1.31 0.00 0.00 55.95 57.82 2dj0 s SER 82 Cb 0.43 -1.53 0.81 0.00 0.21 0.00 0.00 66.02 65.94 2dj0 s SER 82 CO -0.37 -0.04 1.59 -0.81 0.41 0.00 0.00 173.24 174.02 2dj0 n PRO 83 N -1.21 0.10 -1.96 12.44 -0.04 -1.26 -3.05 135.00 140.02 2dj0 n PRO 83 Ca -0.08 0.35 -0.33 0.00 -0.04 0.00 0.00 63.50 63.40 2dj0 n PRO 83 Cb 0.58 -1.70 0.03 0.00 -0.04 0.00 0.00 33.50 32.37 2dj0 n PRO 83 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2dj0 n LEU 84 N -1.90 6.40 -4.01 1.53 7.99 -1.26 -4.98 117.00 120.77 2dj0 n LEU 84 Ca 0.03 -4.81 -0.09 0.00 -0.01 0.00 0.00 56.01 51.13 2dj0 n LEU 84 Cb 0.20 -0.77 -0.05 0.00 -0.11 0.00 0.00 43.42 42.69 2dj0 n LEU 84 CO 0.17 1.88 0.17 0.28 -1.51 0.00 0.00 177.39 178.38 2dj0 s THR 85 N -5.07 0.00 -0.50 -5.08 -1.32 -1.17 -5.05 115.64 97.45 2dj0 s THR 85 Ca 0.54 -1.43 0.09 0.00 -1.21 0.00 0.00 61.69 59.67 2dj0 s THR 85 Cb 0.44 -2.22 0.23 0.00 -1.51 0.00 0.00 72.50 69.44 2dj0 s THR 85 CO -0.20 0.00 1.19 0.29 -2.21 0.00 0.00 174.62 173.69 2dj0 n LYS 86 N -0.38 2.82 -0.44 7.08 4.01 -1.26 -4.66 118.16 125.32 2dj0 n LYS 86 Ca -0.01 -2.00 -0.06 0.00 -0.51 0.00 0.00 58.31 55.72 2dj0 n LYS 86 Cb 0.62 -1.27 0.03 0.00 -0.51 0.00 0.00 35.03 33.90 2dj0 n LYS 86 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 2dj0 n GLN 87 N -0.04 1.30 -3.66 1.97 6.02 -1.26 -4.71 117.38 116.99 2dj0 n GLN 87 Ca 0.09 -0.64 -0.07 0.00 -0.01 0.00 0.00 57.00 56.37 2dj0 n GLN 87 Cb 0.44 -1.25 -0.08 0.00 1.02 0.00 0.00 30.24 30.36 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 -0.73 -0.72 0.00 1.08 1.43 -1.26 -4.23 118.68 114.25 2dj0 s LEU 88 Ca 0.12 1.18 -0.11 0.00 -1.03 0.00 0.00 54.13 54.30 2dj0 s LEU 88 Cb 0.10 1.70 0.16 0.00 0.03 0.00 0.00 46.19 48.18 2dj0 s LEU 88 CO 0.01 -0.22 0.56 -0.81 0.23 0.00 0.00 176.35 176.12 2dj0 n PRO 89 N 5.12 -2.11 -3.68 1.29 -0.04 -1.26 -4.77 135.00 129.55 2dj0 n PRO 89 Ca -0.13 -0.90 -0.11 0.00 -0.04 0.00 0.00 63.50 62.32 2dj0 n PRO 89 Cb 0.51 -0.84 -0.11 0.00 -0.04 0.00 0.00 33.50 33.02 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 -2.01 -0.38 -0.20 0.52 2.01 0.11 -4.67 115.64 111.02 2dj0 s THR 90 Ca 0.36 0.19 -0.06 0.00 0.31 0.00 0.00 61.69 62.49 2dj0 s THR 90 Cb -0.04 -0.54 -0.03 0.00 0.01 0.00 0.00 72.50 71.90 2dj0 s THR 90 CO 0.28 0.08 0.04 -0.76 -0.69 0.00 0.00 174.62 173.57 2dj0 s LEU 91 N 2.16 3.50 -0.03 4.42 1.43 0.03 0.08 118.68 130.27 2dj0 s LEU 91 Ca -0.03 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 2dj0 s LEU 91 Cb -0.11 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.22 2dj0 s LEU 91 CO -0.11 0.09 -0.09 -0.63 0.23 0.00 0.00 176.35 175.83 2dj0 s ILE 92 N 0.89 0.84 -0.25 -0.59 1.01 -1.01 -0.17 121.20 121.91 2dj0 s ILE 92 Ca 0.02 -0.38 -0.10 0.00 0.00 0.00 0.00 60.65 60.20 2dj0 s ILE 92 Cb -0.14 -0.76 -0.05 0.00 0.01 0.00 0.00 42.46 41.53 2dj0 s ILE 92 CO 0.02 0.27 0.15 -0.22 0.00 0.00 0.00 174.94 175.16 2dj0 s LEU 93 N 0.29 3.97 -0.45 2.97 2.96 -0.77 -2.71 118.68 124.95 2dj0 s LEU 93 Ca -0.05 0.02 -0.10 0.00 -0.22 0.00 0.00 54.13 53.78 2dj0 s LEU 93 Cb -0.10 -2.08 0.09 0.00 0.50 0.00 0.00 46.19 44.61 2dj0 s LEU 93 CO 0.01 0.01 0.31 -0.36 -1.32 0.00 0.00 176.35 175.00 2dj0 s PHE 94 N 1.37 3.36 -0.90 5.38 0.08 -0.80 -2.73 117.98 123.74 2dj0 s PHE 94 Ca 0.07 -1.58 -0.05 0.00 0.12 0.00 0.00 56.93 55.49 2dj0 s PHE 94 Cb -0.15 -3.20 0.22 0.00 -0.57 0.00 0.00 43.02 39.33 2dj0 s PHE 94 CO 0.07 -0.90 0.80 -0.65 -0.10 0.00 0.00 175.22 174.44 2dj0 s GLN 95 N 1.43 3.41 0.00 0.44 -1.52 -1.17 -2.52 119.66 119.74 2dj0 s GLN 95 Ca 0.04 -3.08 0.00 0.00 -1.95 0.00 0.00 55.36 50.37 2dj0 s GLN 95 Cb -0.25 -4.11 0.00 0.00 -0.22 0.00 0.00 33.01 28.44 2dj0 s GLN 95 CO 0.02 -1.25 0.00 0.41 -0.25 0.00 0.00 175.29 174.22 2dj0 n GLY 96 N 2.74 0.51 3.38 3.09 0.00 -1.02 -4.43 105.19 109.46 2dj0 n GLY 96 Ca 0.19 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.13 -0.49 3.34 -0.02 0.00 -1.25 -4.92 105.19 101.72 2dj0 n GLY 97 Ca 0.00 0.11 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 2dj0 n GLY 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dj0 s LYS 98 N -6.04 1.22 -0.40 1.61 -2.85 -1.26 -5.05 119.74 106.96 2dj0 s LYS 98 Ca 0.42 -1.30 -0.16 0.00 -1.00 0.00 0.00 55.97 53.93 2dj0 s LYS 98 Cb -0.21 0.36 0.01 0.00 -2.06 0.00 0.00 37.83 35.93 2dj0 s LYS 98 CO 0.51 -0.44 0.36 -2.00 0.10 0.00 0.00 175.35 173.88 2dj0 s GLU 99 N -4.02 3.16 -0.21 1.78 2.12 -1.26 -3.02 118.70 117.25 2dj0 s GLU 99 Ca 0.23 -0.79 -0.16 0.00 0.36 0.00 0.00 54.97 54.61 2dj0 s GLU 99 Cb 0.04 -3.93 -0.19 0.00 0.26 0.00 0.00 34.13 30.30 2dj0 s GLU 99 CO 0.04 -0.73 0.12 0.00 -0.54 0.00 0.00 175.26 174.15 2dj0 n ALA 100 N 5.38 0.91 -3.21 6.30 0.00 -1.11 -5.01 120.51 123.76 2dj0 n ALA 100 Ca -0.09 -0.64 -0.13 0.00 0.00 0.00 0.00 53.44 52.57 2dj0 n ALA 100 Cb 0.48 -0.44 -0.06 0.00 0.00 0.00 0.00 19.45 19.42 2dj0 n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dj0 s MET 101 N -2.44 0.95 -0.02 0.00 0.00 -1.25 -5.05 119.30 111.49 2dj0 s MET 101 Ca -0.30 -0.31 -0.07 0.00 0.00 0.00 0.00 55.69 55.02 2dj0 s MET 101 Cb 0.08 0.43 0.01 0.00 0.00 0.00 0.00 34.83 35.34 2dj0 s MET 101 CO 0.61 -0.33 0.14 -0.98 0.00 0.00 0.00 175.02 174.46 2dj0 s ARG 102 N -2.40 0.39 -0.02 3.16 1.70 -1.26 -1.84 118.95 118.67 2dj0 s ARG 102 Ca -0.06 -0.21 0.01 0.00 -0.47 0.00 0.00 55.73 55.01 2dj0 s ARG 102 Cb -0.01 0.16 0.01 0.00 -0.57 0.00 0.00 34.95 34.54 2dj0 s ARG 102 CO -0.02 -0.08 -0.05 1.03 -1.08 0.00 0.00 175.30 175.10 2dj0 s ARG 103 N -0.92 0.56 0.54 3.89 1.81 0.77 -2.86 118.95 122.73 2dj0 s ARG 103 Ca -0.10 -0.13 -0.20 0.00 -1.72 0.00 0.00 55.73 53.58 2dj0 s ARG 103 Cb -0.06 -0.58 -0.06 0.00 -0.45 0.00 0.00 34.95 33.81 2dj0 s ARG 103 CO 0.01 0.02 1.13 -1.25 -0.68 0.00 0.00 175.30 174.54 2dj0 s PRO 104 N 0.35 3.39 0.08 3.54 0.04 -1.26 -0.79 135.00 140.35 2dj0 s PRO 104 Ca -0.04 1.62 -0.30 0.00 0.04 0.00 0.00 61.00 62.32 2dj0 s PRO 104 Cb -0.08 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 2dj0 s PRO 104 CO -0.00 -0.82 1.18 -1.14 0.04 0.00 0.00 177.00 176.26 2dj0 s GLN 105 N -3.24 4.46 -0.16 4.56 -0.44 -1.14 -4.77 119.66 118.93 2dj0 s GLN 105 Ca 0.72 1.76 -0.20 0.00 -2.50 0.00 0.00 55.36 55.14 2dj0 s GLN 105 Cb -0.24 -3.34 -0.03 0.00 -1.64 0.00 0.00 33.01 27.76 2dj0 s GLN 105 CO 0.27 -0.20 0.58 0.42 0.50 0.00 0.00 175.29 176.86 2dj0 s ILE 106 N 0.85 5.08 0.94 -2.34 -1.09 -1.26 -3.53 121.20 119.85 2dj0 s ILE 106 Ca 0.57 1.13 -0.16 0.00 -2.23 0.00 0.00 60.65 59.96 2dj0 s ILE 106 Cb -0.29 -3.91 0.23 0.00 -1.58 0.00 0.00 42.46 36.90 2dj0 s ILE 106 CO 0.30 0.19 1.03 -0.90 -1.23 0.00 0.00 174.94 174.33 2dj0 n ASP 107 N 4.51 -0.96 0.00 3.58 5.68 -1.24 -4.88 116.55 123.24 2dj0 n ASP 107 Ca -0.03 -1.23 0.07 0.00 -0.50 0.00 0.00 54.79 53.09 2dj0 n ASP 107 Cb 0.50 -0.86 0.38 0.00 -1.14 0.00 0.00 41.12 40.01 2dj0 n ASP 107 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 2dj0 n LYS 108 N -3.88 0.34 -0.09 0.11 2.85 -1.26 -2.72 118.16 113.51 2dj0 n LYS 108 Ca 0.13 0.06 -0.22 0.00 -1.05 0.00 0.00 58.31 57.23 2dj0 n LYS 108 Cb 0.49 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 33.26 2dj0 n LYS 108 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2dj0 n LYS 109 N -1.11 0.60 0.00 -1.58 5.02 -1.26 -5.03 118.16 114.80 2dj0 n LYS 109 Ca 0.09 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 2dj0 n LYS 109 Cb 0.07 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.36 2dj0 n LYS 109 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dj0 n GLY 110 N 1.53 1.22 3.15 0.72 0.00 -1.10 -5.15 105.19 105.55 2dj0 n GLY 110 Ca -0.34 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.48 2dj0 n GLY 110 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2dj0 s ARG 111 N -0.04 0.93 -0.47 1.61 1.70 -1.26 -4.99 118.95 116.44 2dj0 s ARG 111 Ca 0.00 -0.79 -0.29 0.00 -0.47 0.00 0.00 55.73 54.18 2dj0 s ARG 111 Cb 0.00 -0.94 0.03 0.00 -0.57 0.00 0.00 34.95 33.47 2dj0 s ARG 111 CO 0.00 0.23 1.16 0.00 -1.08 0.00 0.00 175.30 175.61 2dj0 s ALA 112 N -0.90 3.16 0.44 7.88 0.00 -1.26 -3.69 121.76 127.39 2dj0 s ALA 112 Ca 0.01 -0.43 -0.26 0.00 0.00 0.00 0.00 51.96 51.29 2dj0 s ALA 112 Cb -0.08 -3.89 -0.08 0.00 0.00 0.00 0.00 23.12 19.06 2dj0 s ALA 112 CO 0.01 -2.24 1.42 0.08 0.00 0.00 0.00 175.76 175.03 2dj0 s VAL 113 N 4.52 2.12 -0.48 0.00 1.01 -1.23 -4.87 120.40 121.47 2dj0 s VAL 113 Ca 0.49 0.11 -0.27 0.00 0.00 0.00 0.00 61.98 62.31 2dj0 s VAL 113 Cb -0.08 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 2dj0 s VAL 113 CO 0.31 0.02 2.05 -0.94 0.00 0.00 0.00 175.10 176.53 2dj0 s SER 114 N -0.51 5.16 -0.06 3.32 1.04 -1.26 -4.75 113.70 116.64 2dj0 s SER 114 Ca 0.60 0.90 0.05 0.00 0.48 0.00 0.00 55.95 57.98 2dj0 s SER 114 Cb -0.43 -2.52 -0.01 0.00 0.10 0.00 0.00 66.02 63.16 2dj0 s SER 114 CO 0.56 -2.36 -0.23 0.86 0.98 0.00 0.00 173.24 173.05 2dj0 s TRP 115 N 9.51 2.50 0.11 5.02 -0.00 -1.26 -5.11 118.94 129.71 2dj0 s TRP 115 Ca 0.82 -0.65 -0.30 0.00 -0.00 0.00 0.00 56.10 55.96 2dj0 s TRP 115 Cb -0.18 -1.62 -0.06 0.00 -0.00 0.00 0.00 33.47 31.61 2dj0 s TRP 115 CO 0.26 -0.17 1.17 0.99 -0.00 0.00 0.00 176.95 179.20 2dj0 s THR 116 N -0.18 3.94 -0.75 5.86 2.01 -1.26 -4.99 115.64 120.26 2dj0 s THR 116 Ca -0.03 1.48 -0.14 0.00 0.31 0.00 0.00 61.69 63.31 2dj0 s THR 116 Cb -0.14 -3.95 0.20 0.00 0.01 0.00 0.00 72.50 68.62 2dj0 s THR 116 CO 0.03 0.17 0.70 -0.36 -0.69 0.00 0.00 174.62 174.47 2dj0 s PHE 117 N 0.59 3.63 0.38 4.92 0.40 -1.26 -4.86 117.98 121.79 2dj0 s PHE 117 Ca 0.56 -1.82 0.05 0.00 -0.60 0.00 0.00 56.93 55.11 2dj0 s PHE 117 Cb -0.30 -3.81 -0.06 0.00 0.51 0.00 0.00 43.02 39.36 2dj0 s PHE 117 CO 0.32 -1.00 0.04 -1.54 0.70 0.00 0.00 175.22 173.74 2dj0 s SER 118 N 2.52 3.07 0.32 1.36 1.04 -1.26 -4.97 113.70 115.77 2dj0 s SER 118 Ca 0.14 -1.43 0.26 0.00 0.48 0.00 0.00 55.95 55.40 2dj0 s SER 118 Cb -0.15 -0.08 0.89 0.00 0.10 0.00 0.00 66.02 66.77 2dj0 s SER 118 CO -0.06 -0.61 1.76 -0.08 0.98 0.00 0.00 173.24 175.24 2dj0 h GLU 119 N 1.90 0.00 0.00 4.02 4.81 -1.95 -3.19 114.58 120.17 2dj0 h GLU 119 Ca -0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 2dj0 h GLU 119 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2dj0 h GLU 119 CO 0.73 0.00 -0.33 -1.91 -0.73 0.00 0.00 179.01 176.77 2dj0 n GLU 120 N -2.52 0.24 -0.47 1.92 2.13 -1.26 -3.98 120.64 116.70 2dj0 n GLU 120 Ca 0.03 0.30 0.40 0.00 0.66 0.00 0.00 57.16 58.55 2dj0 n GLU 120 Cb 0.36 -1.14 0.66 0.00 0.27 0.00 0.00 31.44 31.59 2dj0 n GLU 120 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2dj0 n ASN 121 N -3.45 0.19 -0.16 4.31 4.13 -1.26 0.19 115.26 119.22 2dj0 n ASN 121 Ca -0.05 1.32 -0.10 0.00 1.68 0.00 0.00 54.58 57.43 2dj0 n ASN 121 Cb 0.17 -0.65 -0.00 0.00 -1.54 0.00 0.00 39.78 37.76 2dj0 n ASN 121 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2dj0 h VAL 122 N 0.00 1.25 0.01 2.41 2.07 -1.75 0.56 116.25 120.81 2dj0 h VAL 122 Ca 0.86 -0.92 -0.20 0.00 0.82 0.00 0.00 66.70 67.25 2dj0 h VAL 122 Cb 2.80 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 33.53 2dj0 h VAL 122 CO -0.42 0.32 -0.95 0.40 0.02 0.00 0.00 177.57 176.94 2dj0 h ILE 123 N 0.61 1.61 0.06 4.57 2.04 0.19 -1.34 117.51 125.25 2dj0 h ILE 123 Ca 0.13 -3.05 -0.24 0.00 1.00 0.00 0.00 64.86 62.71 2dj0 h ILE 123 Cb 0.40 2.68 -0.01 0.00 -0.74 0.00 0.00 36.82 39.16 2dj0 h ILE 123 CO 0.01 0.87 -1.06 -0.09 0.00 0.00 0.00 178.15 177.88 2dj0 h ARG 124 N 0.03 0.22 0.01 2.37 2.43 -0.38 -0.39 114.38 118.68 2dj0 h ARG 124 Ca -0.03 -0.32 -0.00 0.00 -0.81 0.00 0.00 59.98 58.83 2dj0 h ARG 124 Cb 1.64 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 31.30 2dj0 h ARG 124 CO 0.13 1.10 -0.01 0.93 -1.51 0.00 0.00 179.97 180.61 2dj0 h GLU 125 N 0.09 -0.01 0.00 0.20 4.39 0.09 -3.31 114.58 116.03 2dj0 h GLU 125 Ca -0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.62 2dj0 h GLU 125 Cb 1.76 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.41 2dj0 h GLU 125 CO 0.17 0.52 0.00 1.19 -1.16 0.00 0.00 179.01 179.72 2dj0 n PHE 126 N -4.70 0.00 -2.49 4.33 3.72 -0.51 -4.88 117.46 112.94 2dj0 n PHE 126 Ca -0.06 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.24 2dj0 n PHE 126 Cb 0.26 -0.20 -0.00 0.00 -0.94 0.00 0.00 39.48 38.59 2dj0 n PHE 126 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2dj0 n ASN 127 N -1.20 -3.27 0.24 4.37 4.13 -0.18 -4.73 115.26 114.62 2dj0 n ASN 127 Ca 0.16 0.24 0.11 0.00 1.68 0.00 0.00 54.58 56.77 2dj0 n ASN 127 Cb 0.19 -2.81 0.43 0.00 -1.54 0.00 0.00 39.78 36.06 2dj0 n ASN 127 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 2dj0 h LEU 128 N -0.03 0.00 0.38 3.41 3.38 -1.74 0.93 115.31 121.64 2dj0 h LEU 128 Ca -0.23 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 2dj0 h LEU 128 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2dj0 h LEU 128 CO 0.28 0.00 -0.18 0.78 0.09 0.00 0.00 178.44 179.40 2dj0 h ASN 129 N 0.00 -0.43 -0.21 -0.43 2.35 -1.76 0.94 115.58 116.04 2dj0 h ASN 129 Ca 0.08 -0.13 0.03 0.00 -0.55 0.00 0.00 56.30 55.72 2dj0 h ASN 129 Cb 1.53 0.11 -0.01 0.00 0.05 0.00 0.00 38.32 40.01 2dj0 h ASN 129 CO -0.00 -0.06 0.15 1.05 -1.65 0.00 0.00 177.43 176.91 2dj0 h GLU 130 N -0.86 0.17 0.18 0.81 4.11 -1.17 -3.11 114.58 114.72 2dj0 h GLU 130 Ca -0.05 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.36 2dj0 h GLU 130 Cb 0.54 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2dj0 h GLU 130 CO 0.09 0.12 -0.09 -0.07 0.07 0.00 0.00 179.01 179.12 2dj0 h LEU 131 N 0.18 -0.21 -7.93 3.06 3.38 -1.41 -3.44 115.31 108.94 2dj0 h LEU 131 Ca 0.09 0.01 -0.67 0.00 0.09 0.00 0.00 57.88 57.40 2dj0 h LEU 131 Cb 0.14 0.05 -0.36 0.00 0.09 0.00 0.00 40.66 40.58 2dj0 h LEU 131 CO -0.02 0.09 -0.82 -0.55 0.09 0.00 0.00 178.44 177.24 2dj0 s SER 132 N -4.32 4.02 0.19 -0.43 0.15 0.32 -5.01 113.70 108.62 2dj0 s SER 132 Ca -0.04 -1.16 0.06 0.00 0.70 0.00 0.00 55.95 55.52 2dj0 s SER 132 Cb 0.00 -1.52 -0.04 0.00 -1.71 0.00 0.00 66.02 62.75 2dj0 s SER 132 CO 0.11 -0.13 0.14 -0.83 1.20 0.00 0.00 173.24 173.73 2dj0 s GLY 133 N 1.16 1.63 0.00 9.45 0.00 -1.22 -4.34 107.32 114.01 2dj0 s GLY 133 Ca -0.04 -1.29 0.12 0.00 0.00 0.00 0.00 44.72 43.51 2dj0 s GLY 133 CO -0.08 -1.31 1.15 -1.55 0.00 0.00 0.00 173.10 171.31 2dj0 n PRO 134 N -0.58 0.49 -3.40 2.90 -0.04 -1.26 -4.85 135.00 128.27 2dj0 n PRO 134 Ca -0.08 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.21 2dj0 n PRO 134 Cb 0.56 -1.38 0.09 0.00 -0.04 0.00 0.00 33.50 32.72 2dj0 n PRO 134 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dj0 n SER 135 N -0.88 -2.76 -4.73 3.54 7.64 -1.26 -5.01 113.62 110.16 2dj0 n SER 135 Ca 0.09 -0.63 -0.29 0.00 1.01 0.00 0.00 58.87 59.05 2dj0 n SER 135 Cb 0.04 -5.13 -0.07 0.00 -1.01 0.00 0.00 64.21 58.04 2dj0 n SER 135 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dj0 s SER 136 N -4.20 5.20 0.00 6.43 1.04 -1.26 -5.35 113.70 115.56 2dj0 s SER 136 Ca 0.07 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.34 2dj0 s SER 136 Cb -0.01 -1.28 0.00 0.00 0.10 0.00 0.00 66.02 64.83 2dj0 s SER 136 CO 0.73 0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.70