#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dj0 n SER 2 N 0.00 7.09 -4.64 1.61 7.64 -1.26 -4.96 113.62 119.10 2dj0 n SER 2 Ca 0.00 -3.46 -0.43 0.00 1.01 0.00 0.00 58.87 56.00 2dj0 n SER 2 Cb 0.00 -1.05 -0.03 0.00 -1.01 0.00 0.00 64.21 62.13 2dj0 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dj0 s SER 3 N -0.75 6.49 0.00 6.43 0.15 -1.26 -4.79 113.70 119.98 2dj0 s SER 3 Ca 0.50 1.83 0.00 0.00 0.70 0.00 0.00 55.95 58.98 2dj0 s SER 3 Cb 0.39 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 2dj0 s SER 3 CO -0.08 -1.13 0.00 0.61 1.20 0.00 0.00 173.24 173.84 2dj0 n GLY 4 N 4.43 3.11 0.10 9.45 0.00 -1.26 -4.98 105.19 116.04 2dj0 n GLY 4 Ca 0.18 -1.86 -0.20 0.00 0.00 0.00 0.00 46.02 44.14 2dj0 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dj0 n SER 5 N 0.00 1.86 -3.64 1.61 7.64 -1.26 -5.07 113.62 114.76 2dj0 n SER 5 Ca 0.00 0.44 -0.01 0.00 1.01 0.00 0.00 58.87 60.32 2dj0 n SER 5 Cb 0.00 -0.95 -0.01 0.00 -1.01 0.00 0.00 64.21 62.24 2dj0 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dj0 s SER 6 N -6.75 -0.10 -0.33 6.43 1.04 -1.26 -5.08 113.70 107.64 2dj0 s SER 6 Ca -0.28 -0.16 -0.06 0.00 0.48 0.00 0.00 55.95 55.93 2dj0 s SER 6 Cb 0.06 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.42 2dj0 s SER 6 CO 0.55 -0.42 0.39 0.61 0.98 0.00 0.00 173.24 175.34 2dj0 n GLY 7 N -0.42 -0.99 3.20 7.32 0.00 -1.26 -5.06 105.19 107.97 2dj0 n GLY 7 Ca -0.07 0.52 -0.25 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.37 1.68 0.06 1.61 1.13 -1.26 -5.06 117.35 113.13 2dj0 s TYR 8 Ca 0.09 -0.33 0.07 0.00 -1.41 0.00 0.00 57.07 55.49 2dj0 s TYR 8 Cb -0.03 -1.06 -0.03 0.00 -1.10 0.00 0.00 41.96 39.74 2dj0 s TYR 8 CO 0.46 -0.00 -0.18 0.42 -2.51 0.00 0.00 175.55 173.73 2dj0 s ILE 9 N -0.52 1.47 -0.55 -3.49 1.01 -1.26 -4.80 121.20 113.05 2dj0 s ILE 9 Ca 0.07 -1.25 -0.27 0.00 0.00 0.00 0.00 60.65 59.20 2dj0 s ILE 9 Cb -0.08 -1.32 0.03 0.00 0.01 0.00 0.00 42.46 41.11 2dj0 s ILE 9 CO -0.00 0.03 1.09 -0.75 0.00 0.00 0.00 174.94 175.31 2dj0 s LYS 10 N -1.43 3.47 0.92 2.79 2.47 -1.10 -4.90 119.74 121.96 2dj0 s LYS 10 Ca 0.05 0.10 -0.12 0.00 -1.56 0.00 0.00 55.97 54.43 2dj0 s LYS 10 Cb -0.09 -4.01 0.14 0.00 -1.46 0.00 0.00 37.83 32.41 2dj0 s LYS 10 CO 0.02 -1.56 1.09 0.71 0.16 0.00 0.00 175.35 175.77 2dj0 s TYR 11 N 4.51 2.26 0.17 4.03 2.02 -1.26 -2.78 117.35 126.30 2dj0 s TYR 11 Ca 0.39 1.20 -0.11 0.00 -0.37 0.00 0.00 57.07 58.18 2dj0 s TYR 11 Cb -0.09 -3.18 0.00 0.00 -0.40 0.00 0.00 41.96 38.28 2dj0 s TYR 11 CO 0.24 -2.52 0.35 -0.06 -1.57 0.00 0.00 175.55 171.99 2dj0 s PHE 12 N -2.94 0.27 0.53 2.71 0.08 -1.22 -4.85 117.98 112.57 2dj0 s PHE 12 Ca 0.64 -0.63 0.05 0.00 0.12 0.00 0.00 56.93 57.11 2dj0 s PHE 12 Cb -0.18 0.06 0.05 0.00 -0.57 0.00 0.00 43.02 42.38 2dj0 s PHE 12 CO 0.57 -0.78 0.41 0.09 -0.10 0.00 0.00 175.22 175.42 2dj0 n ASN 13 N -0.25 2.66 0.20 1.36 3.02 -1.26 -4.81 115.26 116.18 2dj0 n ASN 13 Ca -0.08 -2.81 0.06 0.00 -0.03 0.00 0.00 54.58 51.72 2dj0 n ASN 13 Cb 0.63 -0.06 0.43 0.00 -0.61 0.00 0.00 39.78 40.17 2dj0 n ASN 13 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 2dj0 h ASP 14 N 0.60 0.00 0.00 6.41 3.58 -2.00 -2.65 116.42 122.36 2dj0 h ASP 14 Ca -0.33 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.06 2dj0 h ASP 14 Cb 1.22 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.26 2dj0 h ASP 14 CO 0.52 0.33 -1.07 0.29 -2.88 0.00 0.00 179.24 176.42 2dj0 n LYS 15 N -3.80 0.45 -0.27 0.28 4.76 -1.26 -4.62 118.16 113.70 2dj0 n LYS 15 Ca -0.01 0.18 0.06 0.00 -2.87 0.00 0.00 58.31 55.67 2dj0 n LYS 15 Cb 0.41 -1.29 0.17 0.00 -1.84 0.00 0.00 35.03 32.48 2dj0 n LYS 15 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 2dj0 h THR 16 N -0.84 0.28 -1.72 -0.18 1.35 -1.97 0.32 112.91 110.15 2dj0 h THR 16 Ca -0.10 -0.03 0.50 0.00 -0.55 0.00 0.00 66.41 66.24 2dj0 h THR 16 Cb 0.95 0.19 -0.07 0.00 -1.73 0.00 0.00 68.15 67.49 2dj0 h THR 16 CO -0.06 0.01 1.30 0.00 -0.25 0.00 0.00 175.52 176.53 2dj0 n ILE 17 N -5.39 0.00 -0.01 6.82 3.06 -1.00 -1.02 119.36 121.82 2dj0 n ILE 17 Ca 0.15 1.35 -0.00 0.00 -2.50 0.00 0.00 62.75 61.75 2dj0 n ILE 17 Cb 0.51 -2.28 -0.00 0.00 0.54 0.00 0.00 39.64 38.41 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 -0.99 9.51 5.19 -0.63 -3.19 116.42 126.31 2dj0 h ASP 18 Ca 0.82 0.00 0.41 0.00 -0.62 0.00 0.00 57.03 57.63 2dj0 h ASP 18 Cb 3.41 0.00 -0.17 0.00 0.18 0.00 0.00 39.33 42.75 2dj0 h ASP 18 CO -0.01 0.13 0.55 -1.84 -3.12 0.00 0.00 179.24 174.95 2dj0 n GLU 19 N -2.70 -0.06 0.03 3.56 0.28 -0.19 0.94 120.64 122.51 2dj0 n GLU 19 Ca -0.00 1.31 -0.12 0.00 -0.16 0.00 0.00 57.16 58.19 2dj0 n GLU 19 Cb 0.00 -2.38 -0.07 0.00 1.43 0.00 0.00 31.44 30.42 2dj0 n GLU 19 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2dj0 h GLU 20 N 0.00 0.00 0.00 3.44 4.57 -1.35 -0.52 114.58 120.72 2dj0 h GLU 20 Ca 0.82 -0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.93 2dj0 h GLU 20 Cb 2.21 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.79 2dj0 h GLU 20 CO -0.71 0.09 -0.32 -0.07 -1.18 0.00 0.00 179.01 176.81 2dj0 h LEU 21 N -0.09 0.00 -0.59 1.64 3.38 0.59 0.63 115.31 120.88 2dj0 h LEU 21 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2dj0 h LEU 21 Cb 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2dj0 h LEU 21 CO -0.00 0.32 -0.69 -0.08 0.09 0.00 0.00 178.44 178.08 2dj0 h GLU 22 N 0.00 0.00 0.00 1.13 4.22 -0.15 0.22 114.58 120.00 2dj0 h GLU 22 Ca -0.00 0.00 -0.27 0.00 0.08 0.00 0.00 59.36 59.17 2dj0 h GLU 22 Cb 0.75 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.95 2dj0 h GLU 22 CO 0.04 0.69 -1.73 2.89 -2.18 0.00 0.00 179.01 178.72 2dj0 n ARG 23 N -3.69 0.64 -0.50 1.92 1.85 -0.24 -4.05 116.66 112.60 2dj0 n ARG 23 Ca -0.01 0.24 0.08 0.00 -1.00 0.00 0.00 57.85 57.16 2dj0 n ARG 23 Cb 0.68 -1.76 0.30 0.00 -1.05 0.00 0.00 32.46 30.63 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 -2.96 4.24 -0.00 2.89 8.00 0.19 -4.76 116.55 124.14 2dj0 n ASP 24 Ca -0.17 -2.51 -0.00 0.00 0.71 0.00 0.00 54.79 52.82 2dj0 n ASP 24 Cb 1.01 -0.50 -0.00 0.00 -0.02 0.00 0.00 41.12 41.60 2dj0 n ASP 24 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2dj0 n LYS 25 N 0.60 -0.00 -0.34 -1.24 5.02 0.75 0.10 118.16 123.05 2dj0 n LYS 25 Ca 0.22 0.73 0.17 0.00 -2.02 0.00 0.00 58.31 57.41 2dj0 n LYS 25 Cb 0.81 -1.09 0.33 0.00 -0.02 0.00 0.00 35.03 35.06 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 -2.75 -0.08 -2.56 1.97 1.85 -1.26 -2.51 116.66 111.32 2dj0 n ARG 26 Ca 0.00 1.46 -0.41 0.00 -1.00 0.00 0.00 57.85 57.90 2dj0 n ARG 26 Cb 0.00 -2.36 -0.04 0.00 -1.05 0.00 0.00 32.46 29.01 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 -5.92 4.12 0.28 8.89 1.01 0.28 -4.49 120.40 124.57 2dj0 s VAL 27 Ca -0.12 1.71 -0.29 0.00 0.00 0.00 0.00 61.98 63.28 2dj0 s VAL 27 Cb 0.30 -4.10 -0.09 0.00 0.00 0.00 0.00 36.38 32.49 2dj0 s VAL 27 CO 0.77 0.24 1.17 -0.89 0.00 0.00 0.00 175.10 176.39 2dj0 s THR 28 N 0.19 3.30 -0.04 3.92 2.01 -1.26 -4.65 115.64 119.11 2dj0 s THR 28 Ca 0.51 1.27 0.02 0.00 0.31 0.00 0.00 61.69 63.80 2dj0 s THR 28 Cb -0.27 -3.81 0.01 0.00 0.01 0.00 0.00 72.50 68.44 2dj0 s THR 28 CO 0.32 0.29 -0.09 0.26 -0.69 0.00 0.00 174.62 174.71 2dj0 s TRP 29 N -0.96 1.00 -0.31 4.92 0.52 -0.91 -3.70 118.94 119.50 2dj0 s TRP 29 Ca 0.47 -0.28 0.03 0.00 0.02 0.00 0.00 56.10 56.34 2dj0 s TRP 29 Cb -0.34 -0.75 0.08 0.00 -1.15 0.00 0.00 33.47 31.31 2dj0 s TRP 29 CO 0.43 -0.15 -0.02 -1.50 0.02 0.00 0.00 176.95 175.73 2dj0 s ILE 30 N 0.44 2.30 -0.13 2.03 2.07 -1.23 -1.33 121.20 125.35 2dj0 s ILE 30 Ca -0.07 -1.99 -0.07 0.00 -1.41 0.00 0.00 60.65 57.12 2dj0 s ILE 30 Cb -0.11 -2.53 -0.04 0.00 0.13 0.00 0.00 42.46 39.90 2dj0 s ILE 30 CO 0.01 -0.33 0.11 -0.69 -1.91 0.00 0.00 174.94 172.12 2dj0 s VAL 31 N 1.01 5.22 -0.25 4.00 1.01 -1.18 -1.16 120.40 129.04 2dj0 s VAL 31 Ca 0.01 0.11 -0.09 0.00 0.00 0.00 0.00 61.98 62.01 2dj0 s VAL 31 Cb -0.20 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 2dj0 s VAL 31 CO -0.06 0.57 0.13 -0.70 0.00 0.00 0.00 175.10 175.04 2dj0 s GLU 32 N -0.65 3.86 -0.35 2.72 2.12 0.28 -3.06 118.70 123.62 2dj0 s GLU 32 Ca 0.12 -0.37 -0.15 0.00 0.36 0.00 0.00 54.97 54.93 2dj0 s GLU 32 Cb -0.12 -3.48 -0.01 0.00 0.26 0.00 0.00 34.13 30.78 2dj0 s GLU 32 CO 0.02 -0.11 0.37 -0.06 -0.54 0.00 0.00 175.26 174.94 2dj0 s PHE 33 N 1.49 3.21 0.20 5.30 0.40 -0.31 -2.00 117.98 126.26 2dj0 s PHE 33 Ca 0.06 -0.07 0.03 0.00 -0.60 0.00 0.00 56.93 56.36 2dj0 s PHE 33 Cb -0.15 -2.69 -0.05 0.00 0.51 0.00 0.00 43.02 40.64 2dj0 s PHE 33 CO 0.07 -0.46 -0.01 -0.59 0.70 0.00 0.00 175.22 174.92 2dj0 s PHE 34 N 2.02 1.39 0.16 0.36 -0.71 -1.19 -0.90 117.98 119.11 2dj0 s PHE 34 Ca 0.12 -0.94 0.10 0.00 -1.04 0.00 0.00 56.93 55.16 2dj0 s PHE 34 Cb -0.17 -0.79 -0.04 0.00 -1.21 0.00 0.00 43.02 40.81 2dj0 s PHE 34 CO 0.12 -0.10 -0.22 0.00 -1.34 0.00 0.00 175.22 173.68 2dj0 s ALA 35 N -3.51 2.24 0.39 1.99 0.00 -1.26 -0.26 121.76 121.36 2dj0 s ALA 35 Ca 0.25 -1.51 0.14 0.00 0.00 0.00 0.00 51.96 50.85 2dj0 s ALA 35 Cb 0.05 -0.28 0.85 0.00 0.00 0.00 0.00 23.12 23.75 2dj0 s ALA 35 CO 0.06 0.38 1.89 -0.97 0.00 0.00 0.00 175.76 177.12 2dj0 h ASN 36 N 3.46 0.00 -0.64 0.00 -1.24 -1.95 -1.98 115.58 113.23 2dj0 h ASN 36 Ca -0.46 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.55 2dj0 h ASN 36 Cb 1.20 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.25 2dj0 h ASN 36 CO 0.46 0.30 0.00 -2.67 -1.29 0.00 0.00 177.43 174.23 2dj0 n TRP 37 N -4.11 1.13 -3.47 0.67 4.27 -1.26 -4.73 117.44 109.95 2dj0 n TRP 37 Ca -0.02 -0.50 -0.42 0.00 -3.89 0.00 0.00 57.50 52.67 2dj0 n TRP 37 Cb 0.35 -0.11 -0.04 0.00 -1.36 0.00 0.00 31.31 30.15 2dj0 n TRP 37 CO 0.00 0.00 0.00 -1.12 -2.29 0.00 0.00 177.69 174.28 2dj0 s SER 38 N -0.93 6.46 0.38 -0.67 0.01 -0.74 -4.90 113.70 113.31 2dj0 s SER 38 Ca 0.46 -3.15 0.12 0.00 1.31 0.00 0.00 55.95 54.69 2dj0 s SER 38 Cb 0.27 -2.08 0.92 0.00 0.21 0.00 0.00 66.02 65.33 2dj0 s SER 38 CO 0.27 -0.39 1.89 -0.55 0.41 0.00 0.00 173.24 174.86 2dj0 h ASN 39 N 7.02 0.55 -1.15 2.44 -1.07 -1.85 -1.21 115.58 120.31 2dj0 h ASN 39 Ca 0.11 0.03 0.39 0.00 0.07 0.00 0.00 56.30 56.91 2dj0 h ASN 39 Cb 0.94 -0.07 -0.14 0.00 -2.07 0.00 0.00 38.32 36.97 2dj0 h ASN 39 CO 0.83 0.27 0.70 0.44 0.07 0.00 0.00 177.43 179.74 2dj0 h ASP 40 N 0.58 0.35 -1.01 6.14 3.32 -1.90 0.90 116.42 124.80 2dj0 h ASP 40 Ca 0.42 0.17 0.09 0.00 0.02 0.00 0.00 57.03 57.73 2dj0 h ASP 40 Cb 0.79 0.15 -0.07 0.00 0.22 0.00 0.00 39.33 40.42 2dj0 h ASP 40 CO -0.17 -0.20 0.64 0.00 -1.72 0.00 0.00 179.24 177.79 2dj0 h GLN 42 N 1.10 0.00 0.09 0.00 3.07 0.68 0.30 115.11 120.35 2dj0 h GLN 42 Ca 0.46 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 59.20 2dj0 h GLN 42 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.86 2dj0 h GLN 42 CO -0.21 0.00 -0.04 1.03 0.09 0.00 0.00 178.83 179.70 2dj0 h SER 43 N 0.00 -0.10 -0.29 0.06 0.87 -1.13 -3.17 113.55 109.78 2dj0 h SER 43 Ca 0.29 -0.45 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 2dj0 h SER 43 Cb 1.53 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.52 2dj0 h SER 43 CO -0.00 0.44 0.00 0.33 -0.53 0.00 0.00 176.83 177.07 2dj0 n PHE 44 N -4.89 0.50 0.48 2.24 7.35 -0.17 -4.32 117.46 118.66 2dj0 n PHE 44 Ca -0.08 -0.22 -0.19 0.00 -0.76 0.00 0.00 57.45 56.19 2dj0 n PHE 44 Cb 0.28 -0.06 -0.09 0.00 0.35 0.00 0.00 39.48 39.96 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 3.39 -1.33 -0.13 3.13 0.00 -0.46 -1.84 119.26 122.02 2dj0 h ALA 45 Ca 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 2dj0 h ALA 45 Cb 0.56 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2dj0 h ALA 45 CO 0.04 -1.24 -0.13 -1.00 0.00 0.00 0.00 179.25 176.92 2dj0 h PRO 46 N -1.23 0.32 -0.33 0.00 0.13 -1.78 -3.04 132.00 126.06 2dj0 h PRO 46 Ca -0.12 -0.17 0.07 0.00 -0.87 0.00 0.00 66.00 64.91 2dj0 h PRO 46 Cb 0.95 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.00 2dj0 h PRO 46 CO 0.20 0.71 -0.29 0.82 -0.23 0.00 0.00 178.00 179.21 2dj0 h ILE 47 N -0.07 0.29 -0.76 -3.56 2.04 -1.78 0.82 117.51 114.50 2dj0 h ILE 47 Ca 0.02 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.96 2dj0 h ILE 47 Cb 0.65 0.29 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 2dj0 h ILE 47 CO 0.03 0.00 0.50 0.22 0.00 0.00 0.00 178.15 178.90 2dj0 h TYR 48 N -0.26 0.76 0.05 1.37 3.20 -1.40 -0.99 116.97 119.71 2dj0 h TYR 48 Ca 0.16 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.05 2dj0 h TYR 48 Cb 0.51 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.53 2dj0 h TYR 48 CO -0.48 0.38 -0.02 0.00 -1.64 0.00 0.00 178.16 176.40 2dj0 h ALA 49 N 1.61 -0.06 -0.29 1.82 0.00 -0.82 -1.55 119.26 119.95 2dj0 h ALA 49 Ca 0.34 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.12 2dj0 h ALA 49 Cb 0.38 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2dj0 h ALA 49 CO -0.12 -0.39 0.12 -0.44 0.00 0.00 0.00 179.25 178.42 2dj0 h ASP 50 N -0.36 0.17 0.20 0.00 3.32 -0.42 -1.40 116.42 117.93 2dj0 h ASP 50 Ca -0.01 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2dj0 h ASP 50 Cb 0.33 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 2dj0 h ASP 50 CO 0.01 0.13 -0.20 -0.07 -1.72 0.00 0.00 179.24 177.40 2dj0 h LEU 51 N 0.27 -0.52 -0.36 1.55 3.38 -1.19 -0.82 115.31 117.61 2dj0 h LEU 51 Ca 0.12 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.22 2dj0 h LEU 51 Cb 0.07 0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 2dj0 h LEU 51 CO -0.11 -0.29 -0.11 0.77 0.09 0.00 0.00 178.44 178.79 2dj0 h SER 52 N -0.43 -0.41 0.05 -0.43 4.64 -1.09 0.21 113.55 116.10 2dj0 h SER 52 Ca -0.00 0.12 0.02 0.00 -0.47 0.00 0.00 61.79 61.46 2dj0 h SER 52 Cb 0.40 0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.71 2dj0 h SER 52 CO -0.05 -0.15 -0.19 -0.07 -0.87 0.00 0.00 176.83 175.51 2dj0 h LEU 53 N -0.03 -0.54 -1.25 5.97 3.38 -1.02 0.92 115.31 122.74 2dj0 h LEU 53 Ca 0.18 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.26 2dj0 h LEU 53 Cb 0.30 0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 2dj0 h LEU 53 CO -0.39 -0.26 0.53 0.50 0.09 0.00 0.00 178.44 178.90 2dj0 h LYS 54 N -0.33 0.92 -0.64 1.13 3.64 -0.59 -0.33 116.57 120.36 2dj0 h LYS 54 Ca 0.04 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2dj0 h LYS 54 Cb 0.38 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2dj0 h LYS 54 CO -0.14 0.61 0.00 0.66 -2.27 0.00 0.00 179.45 178.31 2dj0 n TYR 55 N -4.46 1.52 -0.77 1.91 4.02 0.68 -4.54 117.16 115.51 2dj0 n TYR 55 Ca 0.11 -0.57 -0.09 0.00 -0.01 0.00 0.00 57.90 57.34 2dj0 n TYR 55 Cb 0.16 -0.31 -0.03 0.00 -0.02 0.00 0.00 39.34 39.14 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 0.86 5.70 -4.74 7.72 2.85 0.31 -4.51 115.26 123.45 2dj0 n ASN 56 Ca 0.24 -2.65 -0.23 0.00 -0.11 0.00 0.00 54.58 51.83 2dj0 n ASN 56 Cb 0.91 -1.18 -0.06 0.00 1.24 0.00 0.00 39.78 40.69 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 -1.12 0.23 0.00 0.00 -1.04 -1.26 -2.71 114.28 108.38 2dj0 n THR 58 Ca -0.05 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 2dj0 n THR 58 Cb 0.60 -1.80 0.00 0.00 -1.82 0.00 0.00 70.33 67.31 2dj0 n THR 58 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dj0 n GLY 59 N 6.29 3.14 3.57 3.41 0.00 -1.26 -4.78 105.19 115.56 2dj0 n GLY 59 Ca 0.38 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 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 3.05 0.33 0.99 2.96 -1.10 -4.44 118.68 120.48 2dj0 s LEU 60 Ca 0.00 -0.24 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 2dj0 s LEU 60 Cb 0.00 -1.78 -0.06 0.00 0.50 0.00 0.00 46.19 44.84 2dj0 s LEU 60 CO 0.00 0.25 0.06 0.20 -1.32 0.00 0.00 176.35 175.54 2dj0 s ASN 61 N -1.61 2.45 -0.01 3.68 -0.87 -1.24 -4.24 114.94 113.11 2dj0 s ASN 61 Ca 0.18 -1.39 0.01 0.00 -1.57 0.00 0.00 52.86 50.09 2dj0 s ASN 61 Cb -0.11 -0.07 0.00 0.00 -0.02 0.00 0.00 41.25 41.05 2dj0 s ASN 61 CO 0.09 -0.62 -0.03 -0.36 -2.57 0.00 0.00 177.10 173.61 2dj0 s PHE 62 N -3.27 0.29 0.14 2.20 0.40 -1.26 -3.47 117.98 113.01 2dj0 s PHE 62 Ca 0.36 -0.05 0.03 0.00 -0.60 0.00 0.00 56.93 56.67 2dj0 s PHE 62 Cb 0.09 -0.21 -0.04 0.00 0.51 0.00 0.00 43.02 43.36 2dj0 s PHE 62 CO 0.15 -0.02 -0.07 0.20 0.70 0.00 0.00 175.22 176.19 2dj0 s GLY 63 N 0.03 1.04 -0.09 4.36 0.00 -0.31 -2.71 107.32 109.63 2dj0 s GLY 63 Ca 0.00 -1.48 -0.04 0.00 0.00 0.00 0.00 44.72 43.20 2dj0 s GLY 63 CO -0.00 -1.55 0.20 1.25 0.00 0.00 0.00 173.10 172.99 2dj0 s LYS 64 N -3.80 0.12 -0.07 2.90 2.20 -1.12 -0.56 119.74 119.42 2dj0 s LYS 64 Ca 0.17 0.52 -0.00 0.00 -0.36 0.00 0.00 55.97 56.30 2dj0 s LYS 64 Cb 0.04 -0.16 0.03 0.00 -1.51 0.00 0.00 37.83 36.22 2dj0 s LYS 64 CO 0.00 -0.22 -0.02 0.54 -0.36 0.00 0.00 175.35 175.29 2dj0 s VAL 65 N 1.67 0.51 -0.25 4.02 0.11 -0.85 -3.43 120.40 122.19 2dj0 s VAL 65 Ca -0.05 -0.01 -0.29 0.00 -2.93 0.00 0.00 61.98 58.70 2dj0 s VAL 65 Cb -0.11 -0.61 -0.00 0.00 -1.53 0.00 0.00 36.38 34.13 2dj0 s VAL 65 CO -0.07 0.26 1.22 1.51 -3.33 0.00 0.00 175.10 174.69 2dj0 s ASP 66 N 1.58 6.86 -0.14 3.54 1.47 -1.26 -3.16 116.67 125.55 2dj0 s ASP 66 Ca -0.01 1.37 0.11 0.00 1.18 0.00 0.00 52.55 55.21 2dj0 s ASP 66 Cb -0.13 -2.54 -0.23 0.00 -0.34 0.00 0.00 42.92 39.68 2dj0 s ASP 66 CO -0.04 -0.89 0.27 1.33 0.68 0.00 0.00 175.17 176.52 2dj0 n VAL 67 N 5.76 1.52 0.19 2.11 0.24 0.64 -3.48 118.33 125.32 2dj0 n VAL 67 Ca 0.14 -0.78 0.14 0.00 -2.04 0.00 0.00 64.34 61.80 2dj0 n VAL 67 Cb 0.46 -0.93 0.49 0.00 -1.47 0.00 0.00 33.84 32.39 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 3.24 0.00 0.00 7.63 0.00 -1.88 -1.48 103.07 110.58 2dj0 h GLY 68 Ca -0.45 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 46.65 2dj0 h GLY 68 CO 0.04 0.00 -1.82 -2.13 0.00 0.00 0.00 176.54 172.62 2dj0 n ARG 69 N -2.98 0.35 -2.49 4.80 0.00 -1.26 -4.78 116.66 110.30 2dj0 n ARG 69 Ca 0.05 0.10 -0.41 0.00 -0.00 0.00 0.00 57.85 57.59 2dj0 n ARG 69 Cb 0.82 -1.21 -0.03 0.00 0.00 0.00 0.00 32.46 32.05 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 -2.28 2.33 0.19 -0.14 1.51 -0.56 -4.85 117.35 113.55 2dj0 s TYR 70 Ca -0.20 0.27 0.03 0.00 -1.01 0.00 0.00 57.07 56.16 2dj0 s TYR 70 Cb 0.06 -4.50 0.09 0.00 -0.11 0.00 0.00 41.96 37.49 2dj0 s TYR 70 CO 0.31 -1.93 1.45 1.79 -1.11 0.00 0.00 175.55 176.05 2dj0 h THR 71 N 6.21 1.46 -0.71 -0.71 1.35 -1.91 -2.39 112.91 116.21 2dj0 h THR 71 Ca -0.27 -2.39 -0.05 0.00 -0.55 0.00 0.00 66.41 63.15 2dj0 h THR 71 Cb 1.07 2.30 -0.03 0.00 -1.73 0.00 0.00 68.15 69.76 2dj0 h THR 71 CO 1.22 0.70 0.25 0.44 -0.25 0.00 0.00 175.52 177.89 2dj0 h ASP 72 N 0.13 1.00 0.06 5.36 5.19 -1.93 -2.53 116.42 123.70 2dj0 h ASP 72 Ca -0.03 -0.16 -0.00 0.00 -0.62 0.00 0.00 57.03 56.21 2dj0 h ASP 72 Cb 1.36 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.61 2dj0 h ASP 72 CO 0.12 0.91 -0.03 0.58 -3.12 0.00 0.00 179.24 177.70 2dj0 h VAL 73 N 1.04 1.19 -0.49 -1.35 2.07 -1.92 -0.97 116.25 115.83 2dj0 h VAL 73 Ca 0.24 -1.52 0.14 0.00 0.82 0.00 0.00 66.70 66.37 2dj0 h VAL 73 Cb 0.25 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 2dj0 h VAL 73 CO -0.01 0.34 0.61 0.77 0.02 0.00 0.00 177.57 179.30 2dj0 h SER 74 N -0.85 0.00 0.18 0.57 4.64 -1.42 0.27 113.55 116.94 2dj0 h SER 74 Ca -0.01 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.96 2dj0 h SER 74 Cb 0.63 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.67 2dj0 h SER 74 CO 0.01 0.00 -2.11 0.41 -0.87 0.00 0.00 176.83 174.28 2dj0 n THR 75 N -3.49 1.57 0.17 2.95 -1.04 -0.96 0.94 114.28 114.42 2dj0 n THR 75 Ca 0.09 -0.73 0.02 0.00 -2.04 0.00 0.00 64.05 61.39 2dj0 n THR 75 Cb 0.79 -1.13 0.36 0.00 -1.82 0.00 0.00 70.33 68.54 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 0.02 0.08 -0.15 -2.82 2.43 0.85 -2.39 114.38 112.40 2dj0 h ARG 76 Ca -0.45 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 2dj0 h ARG 76 Cb 2.06 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.60 2dj0 h ARG 76 CO 0.04 0.38 0.00 0.66 -1.51 0.00 0.00 179.97 179.54 2dj0 n TYR 77 N -4.15 0.17 -2.51 2.20 4.02 0.03 -4.95 117.16 111.97 2dj0 n TYR 77 Ca -0.02 -0.09 -0.16 0.00 -0.01 0.00 0.00 57.90 57.62 2dj0 n TYR 77 Cb 0.37 -0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.70 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 1.39 -2.22 -3.27 -0.72 4.76 -0.90 -4.98 118.16 112.23 2dj0 n LYS 78 Ca 0.16 0.74 -0.39 0.00 -2.87 0.00 0.00 58.31 55.94 2dj0 n LYS 78 Cb 0.60 -5.12 -0.07 0.00 -1.84 0.00 0.00 35.03 28.60 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 -2.88 5.12 -0.09 -0.18 1.01 0.27 -4.99 120.40 118.66 2dj0 s VAL 79 Ca 0.09 0.91 -0.29 0.00 0.00 0.00 0.00 61.98 62.69 2dj0 s VAL 79 Cb -0.04 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 2dj0 s VAL 79 CO 0.11 0.19 0.99 -0.44 0.00 0.00 0.00 175.10 175.96 2dj0 s SER 80 N 1.13 7.26 -0.69 3.32 0.01 -1.26 -4.42 113.70 119.05 2dj0 s SER 80 Ca 0.23 1.54 -0.00 0.00 1.31 0.00 0.00 55.95 59.03 2dj0 s SER 80 Cb -0.15 -2.55 0.40 0.00 0.21 0.00 0.00 66.02 63.93 2dj0 s SER 80 CO 0.09 -0.41 1.86 0.35 0.41 0.00 0.00 173.24 175.54 2dj0 n THR 81 N 4.44 3.39 -3.57 1.44 -2.24 -1.26 -4.60 114.28 111.88 2dj0 n THR 81 Ca 0.08 -3.85 -0.35 0.00 -2.27 0.00 0.00 64.05 57.66 2dj0 n THR 81 Cb 0.49 -1.20 -0.05 0.00 -2.10 0.00 0.00 70.33 67.46 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 -1.85 6.66 0.00 3.42 0.01 -1.26 -4.96 113.70 115.71 2dj0 s SER 82 Ca 0.56 0.81 0.13 0.00 1.31 0.00 0.00 55.95 58.76 2dj0 s SER 82 Cb 0.46 -2.18 0.79 0.00 0.21 0.00 0.00 66.02 65.29 2dj0 s SER 82 CO -0.20 0.19 1.21 -0.81 0.41 0.00 0.00 173.24 174.04 2dj0 n PRO 83 N 1.02 0.49 -0.02 12.44 -0.04 -1.26 -2.94 135.00 144.69 2dj0 n PRO 83 Ca -0.09 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.35 2dj0 n PRO 83 Cb 0.52 -1.42 -0.02 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.92 2.87 -4.45 1.53 4.32 -1.26 -5.06 117.00 114.02 2dj0 n LEU 84 Ca 0.10 -0.02 -0.32 0.00 -0.02 0.00 0.00 56.01 55.75 2dj0 n LEU 84 Cb 0.05 -0.12 0.14 0.00 -1.62 0.00 0.00 43.42 41.87 2dj0 n LEU 84 CO 0.07 0.54 0.04 1.07 -1.22 0.00 0.00 177.39 177.89 2dj0 n THR 85 N -2.58 0.00 -1.68 -5.08 5.66 -1.15 -4.94 114.28 104.51 2dj0 n THR 85 Ca -0.06 -0.17 -0.14 0.00 -3.05 0.00 0.00 64.05 60.62 2dj0 n THR 85 Cb 0.57 -0.71 0.12 0.00 -1.55 0.00 0.00 70.33 68.76 2dj0 n THR 85 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2dj0 n LYS 86 N -2.35 2.57 -1.15 1.09 4.76 -1.26 -4.69 118.16 117.13 2dj0 n LYS 86 Ca 0.07 -3.59 -0.23 0.00 -2.87 0.00 0.00 58.31 51.69 2dj0 n LYS 86 Cb 0.54 -2.02 0.16 0.00 -1.84 0.00 0.00 35.03 31.88 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 -0.95 2.18 -3.66 1.97 1.13 -1.26 -4.66 117.38 112.13 2dj0 n GLN 87 Ca 0.39 -2.82 -0.08 0.00 -1.94 0.00 0.00 57.00 52.55 2dj0 n GLN 87 Cb 0.91 -2.10 -0.09 0.00 0.11 0.00 0.00 30.24 29.07 2dj0 n GLN 87 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2dj0 s LEU 88 N -3.09 -0.60 0.00 1.08 1.43 -1.26 -4.23 118.68 112.01 2dj0 s LEU 88 Ca 0.53 1.08 -0.07 0.00 -1.03 0.00 0.00 54.13 54.65 2dj0 s LEU 88 Cb 0.45 1.55 0.10 0.00 0.03 0.00 0.00 46.19 48.33 2dj0 s LEU 88 CO 0.10 -0.22 0.37 -0.81 0.23 0.00 0.00 176.35 176.02 2dj0 n PRO 89 N 5.04 -1.74 -3.66 1.29 -0.04 -1.26 -4.73 135.00 129.90 2dj0 n PRO 89 Ca -0.14 -0.59 -0.09 0.00 -0.04 0.00 0.00 63.50 62.64 2dj0 n PRO 89 Cb 0.52 -0.55 -0.10 0.00 -0.04 0.00 0.00 33.50 33.32 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 -1.67 -0.61 -0.16 0.52 2.01 -0.08 -4.55 115.64 111.10 2dj0 s THR 90 Ca 0.24 0.17 -0.11 0.00 0.31 0.00 0.00 61.69 62.30 2dj0 s THR 90 Cb -0.02 -0.65 -0.05 0.00 0.01 0.00 0.00 72.50 71.79 2dj0 s THR 90 CO 0.18 0.07 0.21 -0.76 -0.69 0.00 0.00 174.62 173.63 2dj0 s LEU 91 N 2.54 4.27 -0.06 4.42 1.43 -0.01 -1.16 118.68 130.11 2dj0 s LEU 91 Ca -0.02 0.41 0.02 0.00 -1.03 0.00 0.00 54.13 53.51 2dj0 s LEU 91 Cb -0.12 -2.22 0.02 0.00 0.03 0.00 0.00 46.19 43.90 2dj0 s LEU 91 CO -0.12 0.19 -0.09 -0.63 0.23 0.00 0.00 176.35 175.93 2dj0 s ILE 92 N 0.10 0.89 -0.25 -0.59 1.01 -1.17 -0.29 121.20 120.90 2dj0 s ILE 92 Ca 0.13 -0.33 -0.09 0.00 0.00 0.00 0.00 60.65 60.36 2dj0 s ILE 92 Cb -0.12 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 2dj0 s ILE 92 CO 0.02 0.30 0.11 -0.22 0.00 0.00 0.00 174.94 175.15 2dj0 s LEU 93 N 0.78 3.72 -0.41 2.97 2.96 -1.19 -3.10 118.68 124.40 2dj0 s LEU 93 Ca -0.13 -0.08 -0.10 0.00 -0.22 0.00 0.00 54.13 53.60 2dj0 s LEU 93 Cb -0.15 -2.00 0.07 0.00 0.50 0.00 0.00 46.19 44.60 2dj0 s LEU 93 CO 0.02 -0.00 0.25 -0.36 -1.32 0.00 0.00 176.35 174.94 2dj0 s PHE 94 N 1.44 3.31 -0.53 5.38 0.08 -0.44 -2.46 117.98 124.76 2dj0 s PHE 94 Ca 0.06 -1.36 -0.01 0.00 0.12 0.00 0.00 56.93 55.74 2dj0 s PHE 94 Cb -0.15 -2.84 0.14 0.00 -0.57 0.00 0.00 43.02 39.60 2dj0 s PHE 94 CO 0.06 -0.80 0.32 -0.65 -0.10 0.00 0.00 175.22 174.04 2dj0 s GLN 95 N 1.47 2.23 0.00 0.44 -0.21 -1.03 -2.14 119.66 120.42 2dj0 s GLN 95 Ca 0.03 -2.33 0.00 0.00 0.02 0.00 0.00 55.36 53.08 2dj0 s GLN 95 Cb -0.22 -3.57 0.00 0.00 1.00 0.00 0.00 33.01 30.21 2dj0 s GLN 95 CO 0.03 -1.12 0.00 0.41 -2.12 0.00 0.00 175.29 172.50 2dj0 n GLY 96 N 3.74 0.55 2.99 3.09 0.00 -1.05 -4.16 105.19 110.36 2dj0 n GLY 96 Ca 0.05 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.54 -0.50 3.09 -0.02 0.00 -1.25 -4.91 105.19 101.07 2dj0 n GLY 97 Ca 0.00 0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 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 -5.63 0.50 -0.65 1.61 -2.85 -1.26 -5.08 119.74 106.39 2dj0 s LYS 98 Ca 0.25 -0.59 -0.23 0.00 -1.00 0.00 0.00 55.97 54.40 2dj0 s LYS 98 Cb -0.13 0.20 0.06 0.00 -2.06 0.00 0.00 37.83 35.90 2dj0 s LYS 98 CO 0.31 -0.12 1.00 -2.00 0.10 0.00 0.00 175.35 174.64 2dj0 s GLU 99 N -1.93 3.17 -0.04 1.78 2.12 -1.26 -2.45 118.70 120.09 2dj0 s GLU 99 Ca -0.11 -0.64 -0.24 0.00 0.36 0.00 0.00 54.97 54.34 2dj0 s GLU 99 Cb -0.05 -4.18 -0.19 0.00 0.26 0.00 0.00 34.13 29.97 2dj0 s GLU 99 CO -0.01 -1.79 1.08 0.00 -0.54 0.00 0.00 175.26 174.00 2dj0 h ALA 100 N 9.57 -0.13 -2.79 6.30 0.00 -1.83 -3.48 119.26 126.91 2dj0 h ALA 100 Ca -0.28 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.30 2dj0 h ALA 100 Cb 1.07 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.81 2dj0 h ALA 100 CO 1.17 -0.29 -0.17 0.00 0.00 0.00 0.00 179.25 179.96 2dj0 s MET 101 N -3.84 1.45 -0.13 0.00 0.00 -1.26 -5.06 119.30 110.46 2dj0 s MET 101 Ca -0.15 -1.23 -0.05 0.00 0.00 0.00 0.00 55.69 54.26 2dj0 s MET 101 Cb 0.01 0.45 0.06 0.00 0.00 0.00 0.00 34.83 35.34 2dj0 s MET 101 CO 0.59 -0.59 0.27 -0.98 0.00 0.00 0.00 175.02 174.31 2dj0 s ARG 102 N -4.01 0.19 -0.11 3.16 1.70 -1.26 -3.19 118.95 115.43 2dj0 s ARG 102 Ca 0.22 0.68 -0.01 0.00 -0.47 0.00 0.00 55.73 56.15 2dj0 s ARG 102 Cb 0.00 -0.05 -0.03 0.00 -0.57 0.00 0.00 34.95 34.31 2dj0 s ARG 102 CO 0.07 -0.23 -0.05 1.03 -1.08 0.00 0.00 175.30 175.03 2dj0 s ARG 103 N 1.94 3.16 0.48 3.89 1.81 0.60 -1.83 118.95 129.00 2dj0 s ARG 103 Ca -0.03 -0.53 -0.22 0.00 -1.72 0.00 0.00 55.73 53.22 2dj0 s ARG 103 Cb -0.11 -2.74 -0.07 0.00 -0.45 0.00 0.00 34.95 31.58 2dj0 s ARG 103 CO -0.09 0.49 1.16 -1.25 -0.68 0.00 0.00 175.30 174.92 2dj0 s PRO 104 N -0.32 3.68 0.20 3.54 0.04 -1.26 -0.83 135.00 140.05 2dj0 s PRO 104 Ca 0.05 1.74 -0.30 0.00 0.04 0.00 0.00 61.00 62.53 2dj0 s PRO 104 Cb -0.12 -2.33 -0.08 0.00 0.04 0.00 0.00 34.50 32.00 2dj0 s PRO 104 CO 0.02 -0.61 1.22 -0.65 0.04 0.00 0.00 177.00 177.02 2dj0 s GLN 105 N -2.81 4.47 -0.07 4.56 -1.52 -0.76 -4.77 119.66 118.76 2dj0 s GLN 105 Ca 0.65 1.92 -0.11 0.00 -1.95 0.00 0.00 55.36 55.87 2dj0 s GLN 105 Cb -0.28 -3.22 -0.05 0.00 -0.22 0.00 0.00 33.01 29.24 2dj0 s GLN 105 CO 0.33 -0.11 0.27 0.42 -0.25 0.00 0.00 175.29 175.95 2dj0 s ILE 106 N -0.13 5.28 0.00 1.08 -1.09 -1.26 -3.13 121.20 121.96 2dj0 s ILE 106 Ca 0.53 0.51 -0.04 0.00 -2.23 0.00 0.00 60.65 59.42 2dj0 s ILE 106 Cb -0.34 -3.56 -0.18 0.00 -1.58 0.00 0.00 42.46 36.80 2dj0 s ILE 106 CO 0.38 0.58 2.81 -0.67 -1.23 0.00 0.00 174.94 176.81 2dj0 n ASP 107 N 2.08 4.31 -1.93 3.58 2.03 -1.23 -4.65 116.55 120.73 2dj0 n ASP 107 Ca -0.17 -2.28 0.00 0.00 0.52 0.00 0.00 54.79 52.87 2dj0 n ASP 107 Cb 0.53 -1.12 0.00 0.00 -0.72 0.00 0.00 41.12 39.81 2dj0 n ASP 107 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2dj0 n LYS 108 N 2.42 -2.26 -0.00 -0.67 3.00 -1.26 -4.56 118.16 114.83 2dj0 n LYS 108 Ca 0.29 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.60 2dj0 n LYS 108 Cb 0.69 -4.25 -0.00 0.00 0.00 0.00 0.00 35.03 31.47 2dj0 n LYS 108 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2dj0 n LYS 109 N -1.93 1.54 0.00 1.64 4.81 -1.26 -5.04 118.16 117.91 2dj0 n LYS 109 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2dj0 n LYS 109 Cb 0.32 -1.01 0.00 0.00 0.02 0.00 0.00 35.03 34.36 2dj0 n LYS 109 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2dj0 n GLY 110 N 3.28 1.76 3.16 3.14 0.00 -1.26 -5.14 105.19 110.13 2dj0 n GLY 110 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 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 1.58 0.01 1.61 1.81 -1.26 -5.05 118.95 117.65 2dj0 s ARG 111 Ca 0.00 -0.63 -0.28 0.00 -1.72 0.00 0.00 55.73 53.10 2dj0 s ARG 111 Cb 0.00 -1.46 -0.04 0.00 -0.45 0.00 0.00 34.95 33.00 2dj0 s ARG 111 CO 0.00 0.33 0.90 0.00 -0.68 0.00 0.00 175.30 175.85 2dj0 s ALA 112 N -0.25 3.23 0.11 2.13 0.00 -1.26 -3.56 121.76 122.16 2dj0 s ALA 112 Ca 0.03 0.44 -0.22 0.00 0.00 0.00 0.00 51.96 52.20 2dj0 s ALA 112 Cb -0.09 -3.22 -0.07 0.00 0.00 0.00 0.00 23.12 19.75 2dj0 s ALA 112 CO 0.00 -0.14 0.68 0.08 0.00 0.00 0.00 175.76 176.39 2dj0 s VAL 113 N 0.66 4.58 -0.81 0.00 1.01 -1.18 -4.92 120.40 119.75 2dj0 s VAL 113 Ca 0.47 1.47 -0.25 0.00 0.00 0.00 0.00 61.98 63.66 2dj0 s VAL 113 Cb -0.21 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 2dj0 s VAL 113 CO 0.26 0.52 1.91 -0.55 0.00 0.00 0.00 175.10 177.24 2dj0 s SER 114 N -0.99 5.20 0.10 3.32 0.15 -1.26 -4.71 113.70 115.50 2dj0 s SER 114 Ca 0.33 -0.34 0.04 0.00 0.70 0.00 0.00 55.95 56.68 2dj0 s SER 114 Cb -0.21 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.51 2dj0 s SER 114 CO 0.22 -2.61 0.06 0.86 1.20 0.00 0.00 173.24 172.98 2dj0 s TRP 115 N 9.68 3.11 -0.50 3.44 -0.00 -1.26 -5.07 118.94 128.34 2dj0 s TRP 115 Ca 0.69 0.03 -0.27 0.00 -0.00 0.00 0.00 56.10 56.54 2dj0 s TRP 115 Cb -0.09 -1.57 0.03 0.00 -0.00 0.00 0.00 33.47 31.84 2dj0 s TRP 115 CO 0.06 0.51 1.06 0.99 -0.00 0.00 0.00 176.95 179.57 2dj0 s THR 116 N -1.43 4.27 -1.05 5.86 2.01 -1.26 -4.97 115.64 119.07 2dj0 s THR 116 Ca 0.28 0.88 -0.21 0.00 0.31 0.00 0.00 61.69 62.96 2dj0 s THR 116 Cb -0.12 -4.57 0.07 0.00 0.01 0.00 0.00 72.50 67.90 2dj0 s THR 116 CO 0.21 -1.04 1.43 -0.36 -0.69 0.00 0.00 174.62 174.16 2dj0 s PHE 117 N 4.29 2.73 0.02 4.92 0.40 -1.26 -4.85 117.98 124.22 2dj0 s PHE 117 Ca 0.41 -1.12 0.02 0.00 -0.60 0.00 0.00 56.93 55.64 2dj0 s PHE 117 Cb -0.09 -4.61 -0.01 0.00 0.51 0.00 0.00 43.02 38.82 2dj0 s PHE 117 CO 0.27 -1.81 -0.07 -1.54 0.70 0.00 0.00 175.22 172.78 2dj0 s SER 118 N 4.50 0.80 0.06 1.36 1.04 -1.26 -4.99 113.70 115.21 2dj0 s SER 118 Ca 0.44 -0.29 -0.17 0.00 0.48 0.00 0.00 55.95 56.42 2dj0 s SER 118 Cb -0.01 -0.04 -0.06 0.00 0.10 0.00 0.00 66.02 66.02 2dj0 s SER 118 CO -0.07 -0.03 1.27 -0.08 0.98 0.00 0.00 173.24 175.31 2dj0 h GLU 119 N 5.38 -0.24 -0.94 4.02 4.81 -1.97 0.29 114.58 125.93 2dj0 h GLU 119 Ca -0.32 0.02 0.16 0.00 -0.13 0.00 0.00 59.36 59.09 2dj0 h GLU 119 Cb 1.19 0.05 -0.16 0.00 0.63 0.00 0.00 28.75 30.47 2dj0 h GLU 119 CO 0.46 -0.16 -0.35 1.05 -0.73 0.00 0.00 179.01 179.28 2dj0 h GLU 120 N -0.25 -0.02 -0.53 1.92 4.11 -1.99 1.08 114.58 118.91 2dj0 h GLU 120 Ca 0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.44 2dj0 h GLU 120 Cb 0.32 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 2dj0 h GLU 120 CO -0.25 -0.01 0.29 -0.91 0.07 0.00 0.00 179.01 178.19 2dj0 h ASN 121 N -0.02 0.64 0.02 3.06 4.21 -1.70 -2.72 115.58 119.08 2dj0 h ASN 121 Ca 0.36 -0.04 -0.00 0.00 1.21 0.00 0.00 56.30 57.82 2dj0 h ASN 121 Cb 0.61 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.65 2dj0 h ASN 121 CO -0.95 0.52 -0.01 0.58 -1.29 0.00 0.00 177.43 176.28 2dj0 h VAL 122 N 0.73 0.00 -1.60 2.81 2.07 0.47 0.18 116.25 120.92 2dj0 h VAL 122 Ca 0.19 -0.02 0.46 0.00 0.82 0.00 0.00 66.70 68.15 2dj0 h VAL 122 Cb 0.02 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.73 2dj0 h VAL 122 CO -0.03 0.00 1.30 -0.38 0.02 0.00 0.00 177.57 178.48 2dj0 n ILE 123 N -2.12 0.00 -0.02 4.57 5.41 0.78 -0.24 119.36 127.75 2dj0 n ILE 123 Ca -0.00 1.35 -0.01 0.00 1.00 0.00 0.00 62.75 65.09 2dj0 n ILE 123 Cb 0.01 -2.30 -0.00 0.00 -0.71 0.00 0.00 39.64 36.63 2dj0 n ILE 123 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 2dj0 h ARG 124 N 0.00 0.00 -0.22 0.38 9.65 -1.46 -1.74 114.38 120.99 2dj0 h ARG 124 Ca 0.76 0.00 0.05 0.00 -1.10 0.00 0.00 59.98 59.69 2dj0 h ARG 124 Cb 3.36 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 31.86 2dj0 h ARG 124 CO -0.01 0.00 -0.43 0.93 2.80 0.00 0.00 179.97 183.26 2dj0 h GLU 125 N -0.27 -0.43 0.00 0.20 4.39 0.50 0.32 114.58 119.29 2dj0 h GLU 125 Ca 0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2dj0 h GLU 125 Cb 0.06 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2dj0 h GLU 125 CO 0.00 -0.29 0.00 1.19 -1.16 0.00 0.00 179.01 178.75 2dj0 n PHE 126 N -5.43 0.00 -4.20 4.33 3.72 0.67 -4.90 117.46 111.66 2dj0 n PHE 126 Ca -0.03 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.06 2dj0 n PHE 126 Cb 0.36 -0.22 -0.07 0.00 -0.94 0.00 0.00 39.48 38.61 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 -1.22 0.16 -0.11 4.37 4.13 0.11 -4.83 115.26 117.88 2dj0 n ASN 127 Ca 0.13 -1.21 -0.06 0.00 1.68 0.00 0.00 54.58 55.13 2dj0 n ASN 127 Cb 0.17 -1.98 0.02 0.00 -1.54 0.00 0.00 39.78 36.45 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 -1.87 0.02 -0.79 3.41 3.38 -1.56 -2.50 115.31 115.41 2dj0 h LEU 128 Ca -0.66 0.06 0.13 0.00 0.09 0.00 0.00 57.88 57.50 2dj0 h LEU 128 Cb 1.39 0.08 -0.14 0.00 0.09 0.00 0.00 40.66 42.08 2dj0 h LEU 128 CO 0.67 0.05 -0.35 0.78 0.09 0.00 0.00 178.44 179.68 2dj0 h ASN 129 N 0.20 -1.26 0.42 -0.43 -0.26 -1.88 -0.80 115.58 111.57 2dj0 h ASN 129 Ca 0.17 0.27 -0.01 0.00 -0.56 0.00 0.00 56.30 56.17 2dj0 h ASN 129 Cb 0.19 0.65 -0.01 0.00 -1.06 0.00 0.00 38.32 38.10 2dj0 h ASN 129 CO -0.22 -0.30 -0.27 -0.33 -1.06 0.00 0.00 177.43 175.25 2dj0 h GLU 130 N -0.08 -0.64 -0.90 0.81 4.39 -1.76 -3.00 114.58 113.40 2dj0 h GLU 130 Ca 0.29 0.04 0.12 0.00 0.34 0.00 0.00 59.36 60.16 2dj0 h GLU 130 Cb 0.58 0.15 -0.14 0.00 -0.10 0.00 0.00 28.75 29.24 2dj0 h GLU 130 CO -0.83 -0.43 -0.40 1.28 -1.16 0.00 0.00 179.01 177.48 2dj0 n LEU 131 N -5.40 -0.68 -4.55 1.33 4.77 -0.37 -3.35 117.00 108.75 2dj0 n LEU 131 Ca -0.11 1.58 -0.40 0.00 -0.03 0.00 0.00 56.01 57.05 2dj0 n LEU 131 Cb 0.30 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 2dj0 n LEU 131 CO 0.33 -1.39 1.32 -0.44 -1.33 0.00 0.00 177.39 175.88 2dj0 s SER 132 N -5.36 6.23 0.00 -1.43 0.01 -0.83 -4.69 113.70 107.63 2dj0 s SER 132 Ca -0.12 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.32 2dj0 s SER 132 Cb 0.16 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.83 2dj0 s SER 132 CO 0.62 -1.76 0.00 0.61 0.41 0.00 0.00 173.24 173.13 2dj0 n GLY 133 N 6.04 1.92 0.24 3.44 0.00 -1.21 -4.90 105.19 110.72 2dj0 n GLY 133 Ca 0.17 -1.31 0.12 0.00 0.00 0.00 0.00 46.02 45.00 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 0.00 -1.84 1.61 0.13 -1.84 -3.45 132.00 126.62 2dj0 h PRO 134 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2dj0 h PRO 134 Cb 0.00 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 30.91 2dj0 h PRO 134 CO 0.00 0.15 0.29 -1.54 -0.23 0.00 0.00 178.00 176.67 2dj0 s SER 135 N -6.05 -0.59 -0.79 1.44 1.04 -1.26 -5.11 113.70 102.39 2dj0 s SER 135 Ca -0.00 0.90 -0.19 0.00 0.48 0.00 0.00 55.95 57.14 2dj0 s SER 135 Cb 0.10 0.83 0.12 0.00 0.10 0.00 0.00 66.02 67.17 2dj0 s SER 135 CO 0.60 -0.37 0.96 -0.55 0.98 0.00 0.00 173.24 174.86 2dj0 s SER 136 N -0.45 6.45 0.00 7.02 0.15 -1.26 -5.20 113.70 120.42 2dj0 s SER 136 Ca -0.03 -1.77 0.00 0.00 0.70 0.00 0.00 55.95 54.84 2dj0 s SER 136 Cb -0.02 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2dj0 s SER 136 CO 0.03 -1.09 0.00 0.61 1.20 0.00 0.00 173.24 173.98