#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j00 s ARG 3 N 0.00 2.48 -0.12 0.00 0.52 -1.26 -4.57 118.95 116.00 2j00 s ARG 3 Ca 0.00 0.84 -0.26 0.00 -0.52 0.00 0.00 55.73 55.79 2j00 s ARG 3 Cb 0.00 -4.44 -0.27 0.00 0.52 0.00 0.00 34.95 30.76 2j00 s ARG 3 CO 0.00 -2.88 0.73 0.82 0.02 0.00 0.00 175.30 173.99 2j00 h ILE 4 N 7.11 1.60 -2.39 1.52 1.08 -1.94 -3.48 117.51 121.02 2j00 h ILE 4 Ca -0.26 -2.38 -0.53 0.00 -0.39 0.00 0.00 64.86 61.30 2j00 h ILE 4 Cb 1.19 3.20 -0.14 0.00 -3.07 0.00 0.00 36.82 38.00 2j00 h ILE 4 CO 1.20 0.61 -0.62 0.00 -0.69 0.00 0.00 178.15 178.65 2j00 s ALA 5 N -2.30 2.64 0.00 1.87 0.00 -1.25 -4.78 121.76 117.95 2j00 s ALA 5 Ca -0.19 -2.11 0.00 0.00 0.00 0.00 0.00 51.96 49.66 2j00 s ALA 5 Cb -0.01 0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.49 2j00 s ALA 5 CO 0.72 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.70 2j00 n GLY 6 N -0.76 0.00 1.95 0.00 0.00 -1.26 -0.83 105.19 104.29 2j00 n GLY 6 Ca -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 2j00 n GLY 6 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2j00 n VAL 7 N 0.00 1.34 -4.75 1.61 0.31 -1.26 -5.07 118.33 110.50 2j00 n VAL 7 Ca 0.00 -2.72 -0.33 0.00 -0.01 0.00 0.00 64.34 61.28 2j00 n VAL 7 Cb 0.00 0.47 -0.13 0.00 -0.91 0.00 0.00 33.84 33.27 2j00 n VAL 7 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2j00 s GLU 8 N -2.64 2.99 -0.30 5.55 2.02 -0.01 -5.09 118.70 121.22 2j00 s GLU 8 Ca 0.36 -0.65 -0.03 0.00 0.02 0.00 0.00 54.97 54.67 2j00 s GLU 8 Cb 0.37 -2.56 0.11 0.00 0.10 0.00 0.00 34.13 32.15 2j00 s GLU 8 CO -0.06 0.44 0.18 0.42 0.02 0.00 0.00 175.26 176.26 2j00 s ILE 9 N -0.24 -0.13 0.93 -1.63 1.09 -1.26 -2.80 121.20 117.15 2j00 s ILE 9 Ca 0.02 -0.81 -0.12 0.00 -1.10 0.00 0.00 60.65 58.64 2j00 s ILE 9 Cb -0.13 -0.99 0.15 0.00 -1.06 0.00 0.00 42.46 40.43 2j00 s ILE 9 CO 0.03 -0.69 1.09 -2.16 -0.10 0.00 0.00 174.94 173.11 2j00 s PRO 10 N 2.03 1.01 0.27 2.79 0.04 -1.26 -4.85 135.00 135.02 2j00 s PRO 10 Ca 0.10 0.70 0.00 0.00 0.04 0.00 0.00 61.00 61.85 2j00 s PRO 10 Cb -0.16 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 2j00 s PRO 10 CO -0.31 -2.38 0.26 1.03 0.04 0.00 0.00 177.00 175.64 2j00 s ARG 11 N -4.96 1.51 0.00 4.56 0.52 -1.26 -4.30 118.95 115.02 2j00 s ARG 11 Ca 0.64 -1.74 0.00 0.00 -0.52 0.00 0.00 55.73 54.11 2j00 s ARG 11 Cb -0.18 0.33 0.00 0.00 0.52 0.00 0.00 34.95 35.62 2j00 s ARG 11 CO 0.57 -0.55 0.00 0.09 0.02 0.00 0.00 175.30 175.42 2j00 n ASN 12 N -0.86 0.00 -3.26 0.23 3.02 -1.26 -4.70 115.26 108.42 2j00 n ASN 12 Ca 0.03 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.39 2j00 n ASN 12 Cb 0.64 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.73 2j00 n ASN 12 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2j00 n LYS 13 N -0.21 0.42 -3.16 3.52 5.02 -1.26 -4.89 118.16 117.59 2j00 n LYS 13 Ca 0.00 -3.32 -0.39 0.00 -2.02 0.00 0.00 58.31 52.58 2j00 n LYS 13 Cb 0.00 2.67 -0.05 0.00 -0.02 0.00 0.00 35.03 37.63 2j00 n LYS 13 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2j00 s ARG 14 N -3.36 4.39 0.29 1.97 1.70 -1.26 -0.18 118.95 122.50 2j00 s ARG 14 Ca 0.38 0.70 0.13 0.00 -0.47 0.00 0.00 55.73 56.47 2j00 s ARG 14 Cb 0.02 -3.43 0.97 0.00 -0.57 0.00 0.00 34.95 31.93 2j00 s ARG 14 CO 0.27 0.12 1.30 1.33 -1.08 0.00 0.00 175.30 177.25 2j00 n VAL 15 N 3.65 -0.35 0.11 4.99 0.24 -1.03 0.52 118.33 126.47 2j00 n VAL 15 Ca -0.04 1.71 0.17 0.00 -2.04 0.00 0.00 64.34 64.15 2j00 n VAL 15 Cb 0.51 -2.70 0.73 0.00 -1.47 0.00 0.00 33.84 30.92 2j00 n VAL 15 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 2j00 h ASP 16 N 0.00 0.00 0.04 -1.34 -0.00 -1.88 -1.35 116.42 111.90 2j00 h ASP 16 Ca 0.64 0.00 -0.37 0.00 -0.00 0.00 0.00 57.03 57.30 2j00 h ASP 16 Cb 1.61 0.00 -0.06 0.00 -0.00 0.00 0.00 39.33 40.87 2j00 h ASP 16 CO -0.68 0.00 -2.36 0.52 -0.00 0.00 0.00 179.24 176.73 2j00 n VAL 17 N -4.17 1.49 0.00 4.15 0.31 0.19 -4.52 118.33 115.78 2j00 n VAL 17 Ca 0.05 -0.70 0.00 0.00 -0.01 0.00 0.00 64.34 63.68 2j00 n VAL 17 Cb 0.44 -1.07 0.00 0.00 -0.91 0.00 0.00 33.84 32.30 2j00 n VAL 17 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2j00 n ALA 18 N -3.01 0.00 -0.12 3.52 0.00 -0.25 -2.44 120.51 118.21 2j00 n ALA 18 Ca -0.38 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.16 2j00 n ALA 18 Cb 1.06 0.12 0.19 0.00 0.00 0.00 0.00 19.45 20.81 2j00 n ALA 18 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2j00 n LEU 19 N -0.69 0.08 -0.37 0.00 7.99 -0.77 0.16 117.00 123.39 2j00 n LEU 19 Ca 0.00 0.62 0.31 0.00 -0.01 0.00 0.00 56.01 56.93 2j00 n LEU 19 Cb 0.00 -0.28 0.58 0.00 -0.11 0.00 0.00 43.42 43.61 2j00 n LEU 19 CO 0.00 -0.68 1.15 0.74 -1.51 0.00 0.00 177.39 177.09 2j00 h THR 20 N 0.00 0.15 0.00 -5.08 2.02 -1.65 0.36 112.91 108.71 2j00 h THR 20 Ca 0.29 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.42 2j00 h THR 20 Cb 0.73 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2j00 h THR 20 CO -0.30 0.03 0.00 -1.22 0.37 0.00 0.00 175.52 174.39 2j00 n TYR 21 N -4.96 0.00 -4.94 3.16 0.53 0.42 -4.66 117.16 106.71 2j00 n TYR 21 Ca 0.36 -0.12 -0.26 0.00 -1.02 0.00 0.00 57.90 56.85 2j00 n TYR 21 Cb 1.25 -0.11 -0.15 0.00 -1.03 0.00 0.00 39.34 39.29 2j00 n TYR 21 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 2j00 s ILE 22 N -0.22 1.55 -0.28 -0.72 1.01 0.12 -4.85 121.20 117.82 2j00 s ILE 22 Ca 0.00 -0.86 -0.29 0.00 0.00 0.00 0.00 60.65 59.50 2j00 s ILE 22 Cb 0.00 -1.29 -0.01 0.00 0.01 0.00 0.00 42.46 41.16 2j00 s ILE 22 CO 0.00 0.42 1.52 -0.47 0.00 0.00 0.00 174.94 176.41 2j00 s TYR 23 N -0.48 2.28 0.00 3.97 6.14 -1.26 -1.97 117.35 126.03 2j00 s TYR 23 Ca 0.08 0.66 0.00 0.00 0.64 0.00 0.00 57.07 58.45 2j00 s TYR 23 Cb -0.08 -4.02 0.00 0.00 0.42 0.00 0.00 41.96 38.28 2j00 s TYR 23 CO -0.01 -2.46 0.00 0.41 0.64 0.00 0.00 175.55 174.13 2j00 n GLY 24 N 4.69 2.48 3.38 8.97 0.00 -1.26 -0.44 105.19 123.01 2j00 n GLY 24 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 2j00 n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2j00 s ILE 25 N -2.27 4.37 0.00 -0.61 1.09 -0.83 -4.49 121.20 118.46 2j00 s ILE 25 Ca 0.00 -0.71 0.00 0.00 -1.10 0.00 0.00 60.65 58.84 2j00 s ILE 25 Cb 0.00 -3.33 0.00 0.00 -1.06 0.00 0.00 42.46 38.07 2j00 s ILE 25 CO 0.00 -0.06 0.00 0.61 -0.10 0.00 0.00 174.94 175.39 2j00 n GLY 26 N 4.94 2.38 0.10 6.18 0.00 -1.26 -4.19 105.19 113.34 2j00 n GLY 26 Ca -0.13 -1.90 -0.14 0.00 0.00 0.00 0.00 46.02 43.85 2j00 n GLY 26 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2j00 h LYS 27 N 0.00 0.20 0.00 1.61 1.63 -1.95 -3.12 116.57 114.94 2j00 h LYS 27 Ca 0.00 -0.35 0.00 0.00 -0.85 0.00 0.00 60.65 59.45 2j00 h LYS 27 Cb 0.00 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 2j00 h LYS 27 CO 0.00 1.13 0.00 0.00 -3.45 0.00 0.00 179.45 177.13 2j00 n ALA 28 N -2.52 -0.16 0.29 5.00 0.00 -1.26 -2.59 120.51 119.27 2j00 n ALA 28 Ca -0.08 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.44 2j00 n ALA 28 Cb 1.01 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.88 2j00 n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j00 h ARG 29 N 0.00 0.00 0.62 0.00 3.08 -1.93 0.12 114.38 116.26 2j00 h ARG 29 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2j00 h ARG 29 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.06 2j00 h ARG 29 CO 0.00 0.00 -0.30 0.00 -1.07 0.00 0.00 179.97 178.60 2j00 h ALA 30 N 0.77 -1.03 0.00 0.04 0.00 -1.43 -2.31 119.26 115.30 2j00 h ALA 30 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2j00 h ALA 30 Cb 1.15 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2j00 h ALA 30 CO 0.00 -0.97 0.00 1.63 0.00 0.00 0.00 179.25 179.91 2j00 n LYS 31 N -4.62 0.02 0.08 0.00 5.02 0.26 -1.38 118.16 117.54 2j00 n LYS 31 Ca -0.10 0.21 0.13 0.00 -2.02 0.00 0.00 58.31 56.53 2j00 n LYS 31 Cb 0.33 -1.50 0.46 0.00 -0.02 0.00 0.00 35.03 34.30 2j00 n LYS 31 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2j00 n GLU 32 N -1.48 0.18 -2.96 1.97 0.00 -0.38 -3.45 120.64 114.52 2j00 n GLU 32 Ca 0.04 0.18 -0.31 0.00 0.00 0.00 0.00 57.16 57.08 2j00 n GLU 32 Cb 0.19 -1.73 -0.03 0.00 0.00 0.00 0.00 31.44 29.87 2j00 n GLU 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2j00 n ALA 33 N -1.70 4.91 0.00 4.31 0.00 -0.48 -4.17 120.51 123.37 2j00 n ALA 33 Ca 0.06 -4.71 0.00 0.00 0.00 0.00 0.00 53.44 48.79 2j00 n ALA 33 Cb 0.38 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.68 2j00 n ALA 33 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2j00 n LEU 34 N 0.05 0.00 0.13 0.00 4.77 -1.22 -4.42 117.00 116.31 2j00 n LEU 34 Ca 0.34 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.44 2j00 n LEU 34 Cb 0.36 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.58 2j00 n LEU 34 CO 0.41 0.00 0.39 1.05 -1.33 0.00 0.00 177.39 177.91 2j00 h GLU 35 N 0.00 0.00 0.00 3.23 4.11 -1.72 -2.50 114.58 117.70 2j00 h GLU 35 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 2j00 h GLU 35 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2j00 h GLU 35 CO 0.00 0.00 -1.25 1.63 0.07 0.00 0.00 179.01 179.46 2j00 n LYS 36 N -2.62 1.37 -0.07 1.06 4.76 -1.26 -4.80 118.16 116.59 2j00 n LYS 36 Ca 0.02 -0.03 -0.06 0.00 -2.87 0.00 0.00 58.31 55.38 2j00 n LYS 36 Cb 0.51 -1.11 -0.02 0.00 -1.84 0.00 0.00 35.03 32.56 2j00 n LYS 36 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2j00 n THR 37 N -1.86 1.43 -0.51 -0.18 -2.24 -1.25 -5.08 114.28 104.58 2j00 n THR 37 Ca -0.03 0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 2j00 n THR 37 Cb 0.33 -2.37 0.00 0.00 -2.10 0.00 0.00 70.33 66.18 2j00 n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2j00 n GLY 38 N 1.60 -0.24 3.42 3.38 0.00 -0.94 -4.95 105.19 107.45 2j00 n GLY 38 Ca -0.09 -0.50 -0.16 0.00 0.00 0.00 0.00 46.02 45.27 2j00 n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2j00 s ILE 39 N -0.22 0.02 -0.40 -0.61 1.01 -1.26 -5.07 121.20 114.66 2j00 s ILE 39 Ca 0.00 -0.18 -0.23 0.00 0.00 0.00 0.00 60.65 60.24 2j00 s ILE 39 Cb 0.00 -0.91 0.02 0.00 0.01 0.00 0.00 42.46 41.58 2j00 s ILE 39 CO 0.00 -0.10 0.79 0.21 0.00 0.00 0.00 174.94 175.84 2j00 s ASN 40 N -1.47 6.49 0.37 3.58 2.47 -1.26 -4.94 114.94 120.18 2j00 s ASN 40 Ca -0.10 0.15 0.15 0.00 0.42 0.00 0.00 52.86 53.48 2j00 s ASN 40 Cb -0.01 -2.39 1.03 0.00 -1.45 0.00 0.00 41.25 38.42 2j00 s ASN 40 CO 0.05 -0.82 1.75 -0.65 -3.72 0.00 0.00 177.10 173.71 2j00 h PRO 41 N 8.72 0.45 0.00 0.43 0.11 -2.00 -1.58 132.00 138.13 2j00 h PRO 41 Ca -0.25 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2j00 h PRO 41 Cb 1.09 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2j00 h PRO 41 CO 0.94 0.30 0.03 0.00 -0.21 0.00 0.00 178.00 179.05 2j00 n ALA 42 N -2.42 1.10 -2.34 -0.75 0.00 -1.26 -3.78 120.51 111.06 2j00 n ALA 42 Ca 0.26 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.31 2j00 n ALA 42 Cb 0.83 -0.86 -0.05 0.00 0.00 0.00 0.00 19.45 19.37 2j00 n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2j00 s THR 43 N -2.31 4.72 0.52 0.00 -4.23 -0.60 -4.88 115.64 108.87 2j00 s THR 43 Ca 0.00 1.49 -0.18 0.00 -1.18 0.00 0.00 61.69 61.82 2j00 s THR 43 Cb 0.00 -4.04 -0.07 0.00 1.34 0.00 0.00 72.50 69.73 2j00 s THR 43 CO 0.00 0.43 1.03 -0.13 -0.54 0.00 0.00 174.62 175.41 2j00 s ARG 44 N -0.40 3.69 0.00 3.99 1.81 -1.26 -2.45 118.95 124.33 2j00 s ARG 44 Ca 0.35 1.21 0.18 0.00 -1.72 0.00 0.00 55.73 55.75 2j00 s ARG 44 Cb -0.20 -2.09 0.78 0.00 -0.45 0.00 0.00 34.95 32.99 2j00 s ARG 44 CO 0.21 -0.51 1.56 0.28 -0.68 0.00 0.00 175.30 176.17 2j00 n VAL 45 N -1.42 0.73 0.02 3.52 0.31 0.75 -3.02 118.33 119.21 2j00 n VAL 45 Ca 0.08 0.18 -0.12 0.00 -0.01 0.00 0.00 64.34 64.48 2j00 n VAL 45 Cb 0.53 -0.88 -0.09 0.00 -0.91 0.00 0.00 33.84 32.49 2j00 n VAL 45 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 2j00 h LYS 46 N 0.00 -0.11 -5.26 5.55 2.10 -1.92 -3.44 116.57 113.49 2j00 h LYS 46 Ca 0.00 0.01 -0.64 0.00 -2.00 0.00 0.00 60.65 58.02 2j00 h LYS 46 Cb 0.28 0.03 -0.21 0.00 -0.90 0.00 0.00 32.23 31.42 2j00 h LYS 46 CO 0.00 0.41 -0.65 0.16 -2.00 0.00 0.00 179.45 177.37 2j00 s ASP 47 N -5.65 4.89 0.00 7.07 1.47 -1.17 -5.06 116.67 118.23 2j00 s ASP 47 Ca -0.14 -0.12 0.00 0.00 1.18 0.00 0.00 52.55 53.46 2j00 s ASP 47 Cb 0.00 -1.81 0.00 0.00 -0.34 0.00 0.00 42.92 40.77 2j00 s ASP 47 CO 0.57 0.15 0.00 0.00 0.68 0.00 0.00 175.17 176.56 2j00 n LEU 48 N 3.69 0.00 -3.08 2.11 -0.00 -1.26 -4.32 117.00 114.13 2j00 n LEU 48 Ca -0.17 0.00 -0.35 0.00 -0.00 0.00 0.00 56.01 55.48 2j00 n LEU 48 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.91 2j00 n LEU 48 CO 0.33 0.00 0.10 0.41 -0.00 0.00 0.00 177.39 178.23 2j00 n THR 49 N -0.24 1.02 -0.20 1.47 -1.04 -1.26 -4.80 114.28 109.22 2j00 n THR 49 Ca 0.00 -0.25 0.02 0.00 -2.04 0.00 0.00 64.05 61.77 2j00 n THR 49 Cb 0.00 0.00 0.27 0.00 -1.82 0.00 0.00 70.33 68.78 2j00 n THR 49 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2j00 h GLU 50 N 1.07 0.93 -0.38 -2.82 4.39 -2.01 -2.26 114.58 113.50 2j00 h GLU 50 Ca -0.24 -0.06 -0.14 0.00 0.34 0.00 0.00 59.36 59.26 2j00 h GLU 50 Cb 1.00 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 2j00 h GLU 50 CO 0.41 0.61 -0.32 0.00 -1.16 0.00 0.00 179.01 178.56 2j00 h ALA 51 N 1.55 0.54 -0.65 3.43 0.00 -2.00 -3.13 119.26 119.00 2j00 h ALA 51 Ca 0.28 -0.42 0.13 0.00 0.00 0.00 0.00 54.91 54.90 2j00 h ALA 51 Cb -0.05 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 17.52 2j00 h ALA 51 CO -0.07 0.60 0.09 0.93 0.00 0.00 0.00 179.25 180.80 2j00 h GLU 52 N 0.68 0.20 -0.46 0.00 5.08 -1.74 0.41 114.58 118.75 2j00 h GLU 52 Ca 0.07 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.49 2j00 h GLU 52 Cb 0.90 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.05 2j00 h GLU 52 CO 0.08 0.13 0.11 0.28 -1.00 0.00 0.00 179.01 178.61 2j00 h VAL 53 N 0.21 0.76 0.83 3.13 2.07 -1.48 0.34 116.25 122.11 2j00 h VAL 53 Ca 0.35 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.75 2j00 h VAL 53 Cb 0.57 0.50 0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2j00 h VAL 53 CO -0.49 0.04 -0.40 0.58 0.02 0.00 0.00 177.57 177.33 2j00 h VAL 54 N 0.25 0.00 -0.50 2.57 2.07 -0.63 1.22 116.25 121.22 2j00 h VAL 54 Ca 0.23 -0.10 0.15 0.00 0.82 0.00 0.00 66.70 67.79 2j00 h VAL 54 Cb 0.29 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 2j00 h VAL 54 CO -0.29 0.00 0.57 -0.09 0.02 0.00 0.00 177.57 177.79 2j00 h ARG 55 N -1.23 0.00 0.01 1.57 2.43 -0.13 1.87 114.38 118.91 2j00 h ARG 55 Ca -0.11 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2j00 h ARG 55 Cb 0.86 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 2j00 h ARG 55 CO 0.19 0.00 -0.01 1.25 -1.51 0.00 0.00 179.97 179.89 2j00 h LEU 56 N 0.00 -0.01 -0.91 3.80 7.12 0.48 -2.88 115.31 122.90 2j00 h LEU 56 Ca 0.24 0.00 0.25 0.00 0.13 0.00 0.00 57.88 58.49 2j00 h LEU 56 Cb 1.38 0.00 -0.14 0.00 -0.53 0.00 0.00 40.66 41.38 2j00 h LEU 56 CO -0.00 0.04 0.37 -0.09 -0.13 0.00 0.00 178.44 178.62 2j00 h ARG 57 N -0.11 0.30 0.05 1.25 2.43 0.30 -0.67 114.38 117.94 2j00 h ARG 57 Ca -0.00 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2j00 h ARG 57 Cb 0.01 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 2j00 h ARG 57 CO 0.00 0.20 -0.09 0.93 -1.51 0.00 0.00 179.97 179.51 2j00 h GLU 58 N 0.31 -0.14 -0.25 0.20 4.39 0.27 -0.97 114.58 118.40 2j00 h GLU 58 Ca 0.59 0.01 0.03 0.00 0.34 0.00 0.00 59.36 60.33 2j00 h GLU 58 Cb 1.21 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.85 2j00 h GLU 58 CO -0.59 -0.10 -0.28 -0.92 -1.16 0.00 0.00 179.01 175.96 2j00 h TYR 59 N -0.15 -0.86 0.00 4.33 3.20 -1.02 0.37 116.97 122.84 2j00 h TYR 59 Ca -0.01 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2j00 h TYR 59 Cb 0.14 0.41 0.00 0.00 1.54 0.00 0.00 36.73 38.82 2j00 h TYR 59 CO -0.21 -0.23 0.00 0.28 -1.64 0.00 0.00 178.16 176.36 2j00 n VAL 60 N -4.04 0.00 -0.12 1.81 0.31 -0.37 0.55 118.33 116.47 2j00 n VAL 60 Ca -0.01 1.14 -0.04 0.00 -0.01 0.00 0.00 64.34 65.41 2j00 n VAL 60 Cb 0.16 -1.69 0.04 0.00 -0.91 0.00 0.00 33.84 31.44 2j00 n VAL 60 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2j00 h GLU 61 N 0.00 0.17 0.96 5.55 4.81 -1.14 -3.20 114.58 121.72 2j00 h GLU 61 Ca 0.00 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 2j00 h GLU 61 Cb 0.00 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.35 2j00 h GLU 61 CO 0.00 0.11 -0.48 -0.97 -0.73 0.00 0.00 179.01 176.94 2j00 h ASN 62 N 0.18 -1.16 0.00 1.04 -1.24 -0.00 -3.38 115.58 111.02 2j00 h ASN 62 Ca 0.20 0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.26 2j00 h ASN 62 Cb 0.26 0.31 0.00 0.00 0.73 0.00 0.00 38.32 39.62 2j00 h ASN 62 CO -0.29 -0.80 0.00 0.41 -1.29 0.00 0.00 177.43 175.46 2j00 n THR 63 N -5.66 0.00 0.00 -3.57 -1.04 0.19 -4.86 114.28 99.35 2j00 n THR 63 Ca -0.16 0.66 0.00 0.00 -2.04 0.00 0.00 64.05 62.51 2j00 n THR 63 Cb 0.52 -1.08 0.00 0.00 -1.82 0.00 0.00 70.33 67.96 2j00 n THR 63 CO 0.00 0.00 0.00 -2.67 -0.64 0.00 0.00 175.07 171.76 2j00 n TRP 64 N -0.54 0.00 -3.16 -1.42 2.14 -1.25 -5.12 117.44 108.08 2j00 n TRP 64 Ca 0.00 0.00 0.02 0.00 2.07 0.00 0.00 57.50 59.59 2j00 n TRP 64 Cb 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 31.31 30.50 2j00 n TRP 64 CO 0.00 0.00 0.00 -1.59 2.07 0.00 0.00 177.69 178.17 2j00 s LYS 65 N 4.71 0.66 0.00 -2.67 -2.85 -1.26 -4.93 119.74 113.39 2j00 s LYS 65 Ca 0.00 0.11 0.00 0.00 -1.00 0.00 0.00 55.97 55.08 2j00 s LYS 65 Cb 0.00 0.16 0.00 0.00 -2.06 0.00 0.00 37.83 35.93 2j00 s LYS 65 CO 0.00 -1.06 0.00 1.28 0.10 0.00 0.00 175.35 175.67 2j00 n LEU 66 N 4.85 -1.32 -1.22 2.77 4.77 -0.86 -4.84 117.00 121.16 2j00 n LEU 66 Ca 0.08 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.95 2j00 n LEU 66 Cb 0.56 -0.66 0.01 0.00 -2.33 0.00 0.00 43.42 41.00 2j00 n LEU 66 CO -0.03 0.00 -0.47 1.21 -1.33 0.00 0.00 177.39 176.77 2j00 n GLU 67 N 0.49 0.00 0.00 3.23 4.07 0.42 -0.58 120.64 128.27 2j00 n GLU 67 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2j00 n GLU 67 Cb 0.00 -0.30 0.00 0.00 -0.06 0.00 0.00 31.44 31.08 2j00 n GLU 67 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2j00 n GLY 68 N 1.07 1.22 0.00 8.31 0.00 -1.26 -2.34 105.19 112.18 2j00 n GLY 68 Ca -0.01 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.58 2j00 n GLY 68 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2j00 n GLU 69 N 0.00 0.00 0.09 1.61 2.13 -1.26 0.17 120.64 123.38 2j00 n GLU 69 Ca 0.00 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.78 2j00 n GLU 69 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 2j00 n GLU 69 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2j00 h LEU 70 N 0.00 -0.19 -0.97 4.31 6.46 -0.44 -3.47 115.31 121.01 2j00 h LEU 70 Ca 0.00 0.01 0.24 0.00 -0.12 0.00 0.00 57.88 58.01 2j00 h LEU 70 Cb 0.00 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 39.95 2j00 h LEU 70 CO 0.00 -0.13 1.14 -0.09 -0.62 0.00 0.00 178.44 178.74 2j00 h ARG 71 N -0.25 0.00 0.20 1.25 2.43 -0.13 0.66 114.38 118.54 2j00 h ARG 71 Ca -0.02 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.83 2j00 h ARG 71 Cb 0.18 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.75 2j00 h ARG 71 CO 0.04 0.00 -1.42 0.00 -1.51 0.00 0.00 179.97 177.08 2j00 h ALA 72 N 0.52 -0.04 0.31 2.80 0.00 0.14 -3.33 119.26 119.66 2j00 h ALA 72 Ca 0.40 -0.90 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 2j00 h ALA 72 Cb 2.67 0.14 0.00 0.00 0.00 0.00 0.00 17.79 20.60 2j00 h ALA 72 CO -0.00 0.83 -0.15 1.49 0.00 0.00 0.00 179.25 181.41 2j00 h GLU 73 N 0.12 -0.40 -0.66 0.00 4.81 0.16 -2.93 114.58 115.67 2j00 h GLU 73 Ca -0.22 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.15 2j00 h GLU 73 Cb 2.10 0.09 -0.11 0.00 0.63 0.00 0.00 28.75 31.46 2j00 h GLU 73 CO 0.24 -0.25 -0.23 0.28 -0.73 0.00 0.00 179.01 178.33 2j00 n VAL 74 N -5.26 -0.33 0.00 0.32 0.31 -1.11 -0.61 118.33 111.66 2j00 n VAL 74 Ca -0.10 1.54 0.00 0.00 -0.01 0.00 0.00 64.34 65.77 2j00 n VAL 74 Cb 0.20 -2.06 0.00 0.00 -0.91 0.00 0.00 33.84 31.07 2j00 n VAL 74 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2j00 n ALA 75 N -3.68 -0.15 -0.10 3.52 0.00 -1.11 -2.66 120.51 116.33 2j00 n ALA 75 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.50 2j00 n ALA 75 Cb 0.28 0.20 -0.01 0.00 0.00 0.00 0.00 19.45 19.92 2j00 n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j00 n ALA 76 N -1.77 -0.09 -0.05 0.00 0.00 0.22 0.23 120.51 119.06 2j00 n ALA 76 Ca 0.00 0.23 -0.14 0.00 0.00 0.00 0.00 53.44 53.52 2j00 n ALA 76 Cb 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 19.45 19.28 2j00 n ALA 76 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2j00 h ASN 77 N 0.00 -1.72 -0.59 0.00 2.35 -1.26 2.03 115.58 116.39 2j00 h ASN 77 Ca 0.06 0.21 0.08 0.00 -0.55 0.00 0.00 56.30 56.10 2j00 h ASN 77 Cb 0.12 0.68 -0.06 0.00 0.05 0.00 0.00 38.32 39.11 2j00 h ASN 77 CO -0.24 -0.46 0.25 0.40 -1.65 0.00 0.00 177.43 175.74 2j00 h ILE 78 N -0.52 0.84 -0.14 2.81 2.04 0.32 0.29 117.51 123.14 2j00 h ILE 78 Ca 0.05 -0.16 0.05 0.00 1.00 0.00 0.00 64.86 65.80 2j00 h ILE 78 Cb 0.65 0.34 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 2j00 h ILE 78 CO -0.48 0.08 -0.22 0.11 0.00 0.00 0.00 178.15 177.64 2j00 h LYS 79 N 0.46 -0.27 -0.98 2.37 1.57 0.23 -0.22 116.57 119.72 2j00 h LYS 79 Ca 0.28 0.02 0.17 0.00 -1.87 0.00 0.00 60.65 59.25 2j00 h LYS 79 Cb 0.30 0.06 -0.09 0.00 0.08 0.00 0.00 32.23 32.58 2j00 h LYS 79 CO -0.25 -0.18 0.61 -0.09 -0.57 0.00 0.00 179.45 178.97 2j00 h ARG 80 N -0.28 0.76 -0.00 3.15 2.43 0.49 0.34 114.38 121.28 2j00 h ARG 80 Ca 0.10 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2j00 h ARG 80 Cb 0.43 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2j00 h ARG 80 CO -0.30 0.51 0.01 -0.07 -1.51 0.00 0.00 179.97 178.60 2j00 h LEU 81 N 0.79 0.00 -1.48 3.80 3.38 0.13 0.04 115.31 121.97 2j00 h LEU 81 Ca 0.53 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.45 2j00 h LEU 81 Cb 0.79 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2j00 h LEU 81 CO -0.31 0.00 -0.16 -0.03 0.09 0.00 0.00 178.44 178.03 2j00 h MET 82 N 0.00 0.14 0.00 1.13 1.85 0.08 -3.35 114.93 114.79 2j00 h MET 82 Ca 0.00 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.06 2j00 h MET 82 Cb 0.01 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.02 2j00 h MET 82 CO -0.00 0.31 0.00 -0.40 -0.40 0.00 0.00 176.91 176.42 2j00 n ASP 83 N -4.28 0.00 0.09 1.39 3.85 -0.00 -2.05 116.55 115.55 2j00 n ASP 83 Ca -0.01 0.00 0.09 0.00 -0.71 0.00 0.00 54.79 54.15 2j00 n ASP 83 Cb 0.27 0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 40.02 2j00 n ASP 83 CO 0.00 0.00 0.00 0.40 -1.01 0.00 0.00 177.20 176.59 2j00 h ILE 84 N 0.00 0.13 0.00 2.12 1.08 -1.87 -3.48 117.51 115.49 2j00 h ILE 84 Ca 0.00 -1.25 0.00 0.00 -0.39 0.00 0.00 64.86 63.22 2j00 h ILE 84 Cb 0.00 1.65 0.00 0.00 -3.07 0.00 0.00 36.82 35.40 2j00 h ILE 84 CO 0.00 0.07 0.00 0.61 -0.69 0.00 0.00 178.15 178.14 2j00 n GLY 85 N 1.23 0.99 3.48 5.37 0.00 -0.87 -5.10 105.19 110.29 2j00 n GLY 85 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 2j00 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j00 h TYR 87 N -0.14 -0.30 -0.30 0.00 3.20 -1.93 1.21 116.97 118.70 2j00 h TYR 87 Ca -0.46 0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.52 2j00 h TYR 87 Cb 1.36 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.77 2j00 h TYR 87 CO 0.34 -0.07 0.37 -0.09 -1.64 0.00 0.00 178.16 177.07 2j00 h ARG 88 N -0.03 0.00 -0.30 1.82 2.43 -1.94 0.39 114.38 116.75 2j00 h ARG 88 Ca 0.02 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2j00 h ARG 88 Cb 0.08 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2j00 h ARG 88 CO -0.13 0.00 0.13 0.78 -1.51 0.00 0.00 179.97 179.24 2j00 h GLY 89 N 0.00 0.48 0.00 2.80 0.00 0.11 -3.39 103.07 103.07 2j00 h GLY 89 Ca 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2j00 h GLY 89 CO -0.00 0.24 0.00 1.04 0.00 0.00 0.00 176.54 177.82 2j00 n LEU 90 N -4.75 0.00 0.00 3.11 4.77 0.14 -3.74 117.00 116.53 2j00 n LEU 90 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2j00 n LEU 90 Cb 0.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2j00 n LEU 90 CO 0.36 -0.07 0.00 0.54 -1.33 0.00 0.00 177.39 176.89 2j00 n ARG 91 N 0.00 0.00 0.01 3.23 5.12 -1.26 -3.28 116.66 120.48 2j00 n ARG 91 Ca 0.00 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.85 2j00 n ARG 91 Cb 0.00 0.00 0.12 0.00 -1.16 0.00 0.00 32.46 31.42 2j00 n ARG 91 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2j00 h HIS 92 N 0.00 0.62 -0.27 -1.55 3.86 -1.76 2.11 115.15 118.16 2j00 h HIS 92 Ca 0.00 -0.18 -0.04 0.00 -1.16 0.00 0.00 60.37 58.99 2j00 h HIS 92 Cb 0.00 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 2j00 h HIS 92 CO 0.00 0.85 0.00 0.00 0.86 0.00 0.00 177.93 179.65 2j00 h ARG 93 N 0.43 0.47 -0.41 2.45 -0.00 -1.63 -2.95 114.38 112.74 2j00 h ARG 93 Ca 0.04 -0.15 0.00 0.00 -0.50 0.00 0.00 59.98 59.37 2j00 h ARG 93 Cb 0.91 -0.04 0.00 0.00 0.00 0.00 0.00 29.97 30.83 2j00 h ARG 93 CO 0.08 0.63 0.00 -2.13 0.00 0.00 0.00 179.97 178.55 2j00 n ARG 94 N -4.61 2.05 -3.88 0.04 3.00 -0.91 -4.94 116.66 107.41 2j00 n ARG 94 Ca -0.03 -1.62 -0.29 0.00 -0.00 0.00 0.00 57.85 55.90 2j00 n ARG 94 Cb 0.25 -1.38 0.03 0.00 0.00 0.00 0.00 32.46 31.36 2j00 n ARG 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2j00 n GLY 95 N 1.24 -0.50 3.47 5.14 0.00 0.63 -4.91 105.19 110.27 2j00 n GLY 95 Ca 0.16 0.20 -0.26 0.00 0.00 0.00 0.00 46.02 46.12 2j00 n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2j00 s LEU 96 N -7.27 2.62 -0.10 0.99 1.43 0.32 -4.28 118.68 112.39 2j00 s LEU 96 Ca 0.64 -0.81 -0.34 0.00 -1.03 0.00 0.00 54.13 52.59 2j00 s LEU 96 Cb -0.32 -1.30 -0.12 0.00 0.03 0.00 0.00 46.19 44.48 2j00 s LEU 96 CO 0.82 0.10 1.89 -0.81 0.23 0.00 0.00 176.35 178.58 2j00 n PRO 97 N 0.05 2.16 -3.93 1.29 -0.04 -1.26 -4.35 135.00 128.91 2j00 n PRO 97 Ca -0.11 0.79 -0.31 0.00 -0.04 0.00 0.00 63.50 63.83 2j00 n PRO 97 Cb 0.56 -2.64 -0.15 0.00 -0.04 0.00 0.00 33.50 31.23 2j00 n PRO 97 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2j00 s VAL 98 N 4.15 1.83 -0.43 0.52 1.01 -1.26 -4.52 120.40 121.70 2j00 s VAL 98 Ca 0.93 -2.01 0.07 0.00 0.00 0.00 0.00 61.98 60.98 2j00 s VAL 98 Cb -0.70 -2.34 0.26 0.00 0.00 0.00 0.00 36.38 33.60 2j00 s VAL 98 CO 0.52 -0.59 0.70 0.54 0.00 0.00 0.00 175.10 176.26 2j00 n ARG 99 N 4.45 0.77 -1.10 2.72 1.74 -1.26 -4.98 116.66 118.99 2j00 n ARG 99 Ca 0.01 -2.64 0.00 0.00 -0.77 0.00 0.00 57.85 54.46 2j00 n ARG 99 Cb 0.42 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 2j00 n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2j00 n GLY 100 N 1.37 0.00 0.00 -0.13 0.00 -1.26 -5.01 105.19 100.15 2j00 n GLY 100 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2j00 n GLY 100 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2j00 n GLN 101 N 1.48 0.05 -3.31 1.61 6.02 -1.26 -5.10 117.38 116.87 2j00 n GLN 101 Ca 0.00 0.00 -0.47 0.00 -0.01 0.00 0.00 57.00 56.52 2j00 n GLN 101 Cb 0.01 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.25 2j00 n GLN 101 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2j00 s ARG 102 N -0.66 3.61 0.54 -1.09 0.52 -1.26 -4.82 118.95 115.79 2j00 s ARG 102 Ca 0.00 -2.44 0.29 0.00 -0.52 0.00 0.00 55.73 53.06 2j00 s ARG 102 Cb 0.00 -4.45 1.56 0.00 0.52 0.00 0.00 34.95 32.58 2j00 s ARG 102 CO 0.00 -1.31 2.12 1.79 0.02 0.00 0.00 175.30 177.92 2j00 h THR 103 N 4.81 0.52 -0.34 0.02 1.35 -1.98 -2.80 112.91 114.49 2j00 h THR 103 Ca 0.11 -0.40 0.06 0.00 -0.55 0.00 0.00 66.41 65.63 2j00 h THR 103 Cb 1.04 1.27 -0.08 0.00 -1.73 0.00 0.00 68.15 68.64 2j00 h THR 103 CO 0.76 0.09 -0.42 -0.09 -0.25 0.00 0.00 175.52 175.61 2j00 h ARG 104 N 0.00 -0.35 0.00 4.72 2.43 -2.03 -3.41 114.38 115.74 2j00 h ARG 104 Ca -0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2j00 h ARG 104 Cb 0.26 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2j00 h ARG 104 CO 0.01 -0.23 0.00 0.25 -1.51 0.00 0.00 179.97 178.49 2j00 n THR 105 N -5.42 0.00 0.00 0.20 -2.24 -1.06 -5.07 114.28 100.69 2j00 n THR 105 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2j00 n THR 105 Cb 0.35 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 2j00 n THR 105 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2j00 n ASN 106 N 0.00 0.00 -0.18 3.42 4.13 -1.21 -4.71 115.26 116.71 2j00 n ASN 106 Ca 0.00 0.00 -0.02 0.00 1.68 0.00 0.00 54.58 56.24 2j00 n ASN 106 Cb 0.00 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.23 2j00 n ASN 106 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2j00 n ALA 107 N -3.00 -0.04 0.20 5.41 0.00 -1.26 -4.71 120.51 117.11 2j00 n ALA 107 Ca 0.00 0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.56 2j00 n ALA 107 Cb 0.00 -0.58 0.39 0.00 0.00 0.00 0.00 19.45 19.26 2j00 n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2j00 n ARG 108 N -2.56 0.10 0.09 0.00 3.00 -1.26 -0.72 116.66 115.31 2j00 n ARG 108 Ca -0.02 0.53 -0.07 0.00 -0.01 0.00 0.00 57.85 58.27 2j00 n ARG 108 Cb 0.12 -1.78 -0.00 0.00 0.00 0.00 0.00 32.46 30.80 2j00 n ARG 108 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 2j00 h THR 109 N 0.00 1.53 0.00 0.55 2.02 -1.90 -3.26 112.91 111.85 2j00 h THR 109 Ca 0.00 -2.69 -0.02 0.00 0.77 0.00 0.00 66.41 64.46 2j00 h THR 109 Cb 0.09 2.49 -0.00 0.00 -1.74 0.00 0.00 68.15 68.99 2j00 h THR 109 CO 0.00 0.78 -1.94 0.54 0.37 0.00 0.00 175.52 175.27 2j00 n ARG 110 N -3.62 0.63 -1.83 6.66 1.74 -0.77 -4.94 116.66 114.53 2j00 n ARG 110 Ca -0.03 -0.17 -0.31 0.00 -0.77 0.00 0.00 57.85 56.57 2j00 n ARG 110 Cb 0.81 -1.48 0.02 0.00 -1.02 0.00 0.00 32.46 30.79 2j00 n ARG 110 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2j00 s LYS 111 N -3.34 3.32 -0.01 5.56 1.02 0.10 -4.69 119.74 121.69 2j00 s LYS 111 Ca -0.07 0.93 -0.30 0.00 0.02 0.00 0.00 55.97 56.54 2j00 s LYS 111 Cb 0.12 -2.04 -0.06 0.00 -0.52 0.00 0.00 37.83 35.33 2j00 s LYS 111 CO 0.83 -0.80 1.62 0.20 -0.92 0.00 0.00 175.35 176.28 2j00 s GLY 112 N -3.69 1.59 0.06 -3.33 0.00 -1.26 -4.82 107.32 95.87 2j00 s GLY 112 Ca 0.58 1.00 0.00 0.00 0.00 0.00 0.00 44.72 46.30 2j00 s GLY 112 CO 0.49 2.92 0.00 -1.55 0.00 0.00 0.00 173.10 174.96 2j00 n PRO 113 N 6.45 -1.32 -2.41 2.90 -0.04 -1.26 -4.85 135.00 134.48 2j00 n PRO 113 Ca 0.16 0.93 -0.38 0.00 -0.04 0.00 0.00 63.50 64.17 2j00 n PRO 113 Cb 0.42 -1.40 -0.03 0.00 -0.04 0.00 0.00 33.50 32.45 2j00 n PRO 113 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2j00 s ARG 114 N -0.48 3.18 -0.35 0.54 0.52 -1.26 -4.88 118.95 116.21 2j00 s ARG 114 Ca 0.00 -0.51 -0.23 0.00 -0.52 0.00 0.00 55.73 54.46 2j00 s ARG 114 Cb 0.00 -4.85 -0.24 0.00 0.52 0.00 0.00 34.95 30.38 2j00 s ARG 114 CO 0.00 -2.46 1.70 1.63 0.02 0.00 0.00 175.30 176.19 2j00 n LYS 115 N 9.06 0.71 0.00 3.54 5.02 -1.26 -4.85 118.16 130.38 2j00 n LYS 115 Ca 0.24 -1.31 0.00 0.00 -2.02 0.00 0.00 58.31 55.22 2j00 n LYS 115 Cb 0.50 -2.61 0.00 0.00 -0.02 0.00 0.00 35.03 32.90 2j00 n LYS 115 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2j00 n THR 116 N 6.26 0.00 -0.92 -0.18 -1.04 -1.26 -4.96 114.28 112.18 2j00 n THR 116 Ca 0.44 0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.47 2j00 n THR 116 Cb 0.36 -0.15 0.00 0.00 -1.82 0.00 0.00 70.33 68.72 2j00 n THR 116 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2j00 n VAL 117 N 0.00 -3.25 -3.12 12.58 0.31 -1.26 -5.12 118.33 118.47 2j00 n VAL 117 Ca 0.00 1.32 0.00 0.00 -0.01 0.00 0.00 64.34 65.65 2j00 n VAL 117 Cb 0.00 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 31.08 2j00 n VAL 117 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2j00 n ALA 118 N -1.12 0.00 -1.03 3.52 0.00 -1.26 -5.14 120.51 115.49 2j00 n ALA 118 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2j00 n ALA 118 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 2j00 n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2j00 n GLY 119 N -0.07 0.07 3.77 0.00 0.00 -1.26 -5.09 105.19 102.61 2j00 n GLY 119 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2j00 n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j00 s LYS 120 N 0.00 3.12 0.05 1.61 -0.14 -1.26 -5.06 119.74 118.06 2j00 s LYS 120 Ca 0.00 1.60 0.03 0.00 -1.36 0.00 0.00 55.97 56.24 2j00 s LYS 120 Cb 0.00 -1.97 -0.03 0.00 -1.68 0.00 0.00 37.83 34.15 2j00 s LYS 120 CO 0.00 -1.03 -0.10 0.15 -0.76 0.00 0.00 175.35 173.61 2j00 s LYS 121 N -3.51 0.62 -0.06 1.68 1.02 -1.26 -5.16 119.74 113.08 2j00 s LYS 121 Ca 0.72 -0.83 0.05 0.00 0.02 0.00 0.00 55.97 55.93 2j00 s LYS 121 Cb -0.24 -0.46 -0.00 0.00 -0.52 0.00 0.00 37.83 36.61 2j00 s LYS 121 CO 0.32 0.09 -0.21 0.15 -0.92 0.00 0.00 175.35 174.78 2j00 s LYS 122 N -1.68 2.36 0.23 1.68 1.02 -1.26 -5.10 119.74 116.99 2j00 s LYS 122 Ca -0.07 -0.76 -0.32 0.00 0.02 0.00 0.00 55.97 54.84 2j00 s LYS 122 Cb -0.10 -1.94 -0.13 0.00 -0.52 0.00 0.00 37.83 35.15 2j00 s LYS 122 CO 0.01 0.25 1.59 0.00 -0.92 0.00 0.00 175.35 176.28 2j00 n ALA 123 N 3.24 2.02 -0.03 5.17 0.00 -1.26 -4.93 120.51 124.72 2j00 n ALA 123 Ca -0.19 0.41 -0.14 0.00 0.00 0.00 0.00 53.44 53.52 2j00 n ALA 123 Cb 0.52 -2.41 -0.10 0.00 0.00 0.00 0.00 19.45 17.46 2j00 n ALA 123 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2j00 h PRO 124 N 5.48 0.13 -4.15 0.00 0.13 -2.08 -3.35 132.00 128.15 2j00 h PRO 124 Ca -0.45 -0.09 -0.42 0.00 -0.87 0.00 0.00 66.00 64.17 2j00 h PRO 124 Cb 1.24 0.02 0.05 0.00 0.13 0.00 0.00 31.00 32.43 2j00 h PRO 124 CO 0.85 0.73 1.96 0.54 -0.23 0.00 0.00 178.00 181.84 2j00 n ARG 125 N -4.66 1.09 0.00 0.86 1.74 -1.26 -5.37 116.66 109.07 2j00 n ARG 125 Ca -0.09 -1.29 0.00 0.00 -0.77 0.00 0.00 57.85 55.70 2j00 n ARG 125 Cb 0.37 -2.51 0.00 0.00 -1.02 0.00 0.00 32.46 29.31 2j00 n ARG 125 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28