#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j01 n LYS 2 N 0.00 0.37 -3.61 2.12 4.01 -1.26 -5.18 118.16 114.61 2j01 n LYS 2 Ca 0.00 0.00 -0.04 0.00 -0.51 0.00 0.00 58.31 57.76 2j01 n LYS 2 Cb 0.00 0.00 -0.01 0.00 -0.51 0.00 0.00 35.03 34.51 2j01 n LYS 2 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 2j01 s THR 3 N -1.76 0.00 -0.50 -0.18 2.01 -1.26 -5.13 115.64 108.83 2j01 s THR 3 Ca 0.00 -0.19 0.06 0.00 0.31 0.00 0.00 61.69 61.87 2j01 s THR 3 Cb 0.00 -1.45 0.23 0.00 0.01 0.00 0.00 72.50 71.29 2j01 s THR 3 CO 0.00 0.00 0.86 -1.22 -0.69 0.00 0.00 174.62 173.57 2j01 n TYR 4 N -0.31 -3.45 -4.62 4.92 4.02 -1.26 -5.16 117.16 111.31 2j01 n TYR 4 Ca -0.05 -1.68 -0.31 0.00 -0.01 0.00 0.00 57.90 55.85 2j01 n TYR 4 Cb 0.61 1.55 -0.13 0.00 -0.02 0.00 0.00 39.34 41.35 2j01 n TYR 4 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2j01 s VAL 5 N 0.73 2.79 -0.07 -0.72 1.01 -1.26 -4.99 120.40 117.88 2j01 s VAL 5 Ca 0.32 -1.23 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 2j01 s VAL 5 Cb 0.19 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 2j01 s VAL 5 CO -0.21 0.31 0.13 -2.16 0.00 0.00 0.00 175.10 173.17 2j01 s PRO 6 N -1.52 3.35 0.00 2.72 0.04 -1.26 -5.12 135.00 133.21 2j01 s PRO 6 Ca 0.15 -0.26 0.00 0.00 0.04 0.00 0.00 61.00 60.93 2j01 s PRO 6 Cb -0.10 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.35 2j01 s PRO 6 CO 0.06 0.73 0.00 1.63 0.04 0.00 0.00 177.00 179.45 2j01 n LYS 7 N 1.58 0.38 -1.89 4.56 5.02 -1.26 -4.94 118.16 121.62 2j01 n LYS 7 Ca -0.16 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.71 2j01 n LYS 7 Cb 0.54 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.52 2j01 n LYS 7 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2j01 s GLN 8 N -2.35 3.09 0.00 1.97 -0.21 -1.26 -4.97 119.66 115.93 2j01 s GLN 8 Ca 0.00 1.44 0.00 0.00 0.02 0.00 0.00 55.36 56.82 2j01 s GLN 8 Cb 0.00 -4.29 0.00 0.00 1.00 0.00 0.00 33.01 29.72 2j01 s GLN 8 CO 0.00 -2.15 0.00 0.28 -2.12 0.00 0.00 175.29 171.30 2j01 n VAL 9 N 7.51 0.00 -3.54 1.09 0.31 -1.26 -5.08 118.33 117.36 2j01 n VAL 9 Ca 0.25 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.34 2j01 n VAL 9 Cb 0.48 -1.55 -0.15 0.00 -0.91 0.00 0.00 33.84 31.71 2j01 n VAL 9 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2j01 s GLU 10 N -0.01 0.15 -0.65 5.55 2.56 -1.26 -5.10 118.70 119.95 2j01 s GLU 10 Ca 0.00 -0.15 -0.37 0.00 0.00 0.00 0.00 54.97 54.46 2j01 s GLU 10 Cb 0.00 -1.38 -0.18 0.00 2.00 0.00 0.00 34.13 34.57 2j01 s GLU 10 CO 0.00 -0.80 2.37 -0.35 -0.56 0.00 0.00 175.26 175.92 2j01 n PRO 11 N 5.28 0.25 -3.26 4.30 -0.04 -1.26 -4.87 135.00 135.40 2j01 n PRO 11 Ca -0.06 0.05 -0.46 0.00 -0.04 0.00 0.00 63.50 62.99 2j01 n PRO 11 Cb 0.47 -1.80 -0.04 0.00 -0.04 0.00 0.00 33.50 32.09 2j01 n PRO 11 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2j01 s ARG 12 N 7.27 3.29 0.03 0.54 3.52 -1.26 -4.93 118.95 127.41 2j01 s ARG 12 Ca 1.22 -1.97 -0.00 0.00 -0.13 0.00 0.00 55.73 54.85 2j01 s ARG 12 Cb -1.21 -4.39 0.01 0.00 -1.56 0.00 0.00 34.95 27.80 2j01 s ARG 12 CO 0.54 -1.37 0.02 0.91 -0.81 0.00 0.00 175.30 174.58 2j01 n TRP 13 N 4.97 -1.45 -3.64 5.12 7.02 -1.26 -4.23 117.44 123.96 2j01 n TRP 13 Ca 0.01 -0.01 -0.03 0.00 -1.02 0.00 0.00 57.50 56.44 2j01 n TRP 13 Cb 0.44 -0.03 -0.07 0.00 -2.42 0.00 0.00 31.31 29.23 2j01 n TRP 13 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 2j01 s VAL 14 N -0.74 0.00 -0.10 -0.99 1.01 -1.26 -4.62 120.40 113.70 2j01 s VAL 14 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.95 2j01 s VAL 14 Cb -0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 2j01 s VAL 14 CO 0.01 0.00 0.05 -0.22 0.00 0.00 0.00 175.10 174.94 2j01 s LEU 15 N 1.25 3.87 0.03 3.92 1.98 -1.26 0.10 118.68 128.58 2j01 s LEU 15 Ca -0.08 0.25 -0.28 0.00 -2.89 0.00 0.00 54.13 51.14 2j01 s LEU 15 Cb -0.04 -1.91 0.07 0.00 0.66 0.00 0.00 46.19 44.97 2j01 s LEU 15 CO -0.14 0.38 0.66 -0.51 -1.89 0.00 0.00 176.35 174.84 2j01 s ILE 16 N -0.88 0.00 -0.30 6.68 2.07 0.52 -1.28 121.20 128.01 2j01 s ILE 16 Ca 0.13 0.00 -0.17 0.00 -1.41 0.00 0.00 60.65 59.20 2j01 s ILE 16 Cb -0.12 -1.00 0.18 0.00 0.13 0.00 0.00 42.46 41.65 2j01 s ILE 16 CO 0.03 0.00 1.13 -0.62 -1.91 0.00 0.00 174.94 173.56 2j01 s ASP 17 N -1.83 -0.34 -0.41 4.50 -1.08 -1.26 -1.14 116.67 115.11 2j01 s ASP 17 Ca -0.06 0.47 0.11 0.00 -0.52 0.00 0.00 52.55 52.56 2j01 s ASP 17 Cb -0.00 1.37 0.39 0.00 -1.46 0.00 0.00 42.92 43.21 2j01 s ASP 17 CO 0.00 -0.07 0.89 0.00 0.52 0.00 0.00 175.17 176.51 2j01 n ALA 18 N 4.67 3.36 0.00 3.66 0.00 -1.26 -4.91 120.51 126.03 2j01 n ALA 18 Ca -0.09 -3.72 0.00 0.00 0.00 0.00 0.00 53.44 49.64 2j01 n ALA 18 Cb 0.54 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.15 2j01 n ALA 18 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2j01 n GLU 19 N -0.03 0.00 0.00 0.00 -0.00 -1.26 0.24 120.64 119.59 2j01 n GLU 19 Ca 0.24 0.00 0.13 0.00 -0.00 0.00 0.00 57.16 57.53 2j01 n GLU 19 Cb 0.65 -1.42 0.32 0.00 -0.00 0.00 0.00 31.44 30.99 2j01 n GLU 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2j01 n GLY 20 N -0.76 0.28 4.00 -1.84 0.00 -1.26 -3.39 105.19 102.22 2j01 n GLY 20 Ca 0.00 -0.54 -0.19 0.00 0.00 0.00 0.00 46.02 45.29 2j01 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j01 s LYS 21 N -2.09 2.62 -0.26 1.61 -0.14 0.65 -4.69 119.74 117.43 2j01 s LYS 21 Ca 0.31 -1.19 -0.16 0.00 -1.36 0.00 0.00 55.97 53.58 2j01 s LYS 21 Cb 0.20 -2.66 -0.03 0.00 -1.68 0.00 0.00 37.83 33.66 2j01 s LYS 21 CO 0.36 -0.53 0.42 0.99 -0.76 0.00 0.00 175.35 175.83 2j01 s THR 22 N -2.54 5.15 0.53 2.17 2.01 -1.26 -1.89 115.64 119.80 2j01 s THR 22 Ca 0.57 0.68 -0.22 0.00 0.31 0.00 0.00 61.69 63.03 2j01 s THR 22 Cb -0.09 -3.74 -0.06 0.00 0.01 0.00 0.00 72.50 68.62 2j01 s THR 22 CO 0.36 0.15 1.30 0.00 -0.69 0.00 0.00 174.62 175.74 2j01 n LEU 23 N 5.25 5.04 0.00 4.42 -0.00 -1.25 -1.39 117.00 129.08 2j01 n LEU 23 Ca -0.07 0.99 0.00 0.00 -0.00 0.00 0.00 56.01 56.93 2j01 n LEU 23 Cb 0.50 -1.54 0.00 0.00 -0.00 0.00 0.00 43.42 42.38 2j01 n LEU 23 CO 0.38 -0.72 0.00 0.61 -0.00 0.00 0.00 177.39 177.66 2j01 n GLY 24 N 0.82 1.95 0.40 1.47 0.00 -1.26 -4.50 105.19 104.07 2j01 n GLY 24 Ca 0.10 -0.64 0.22 0.00 0.00 0.00 0.00 46.02 45.70 2j01 n GLY 24 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2j01 h ARG 25 N 0.00 0.00 0.00 1.61 2.47 -1.76 0.15 114.38 116.85 2j01 h ARG 25 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2j01 h ARG 25 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2j01 h ARG 25 CO 0.00 0.00 -0.53 -0.11 0.56 0.00 0.00 179.97 179.89 2j01 n LEU 26 N -4.06 1.76 -0.28 3.04 7.94 -0.49 -4.29 117.00 120.64 2j01 n LEU 26 Ca 0.10 0.61 0.02 0.00 -1.11 0.00 0.00 56.01 55.63 2j01 n LEU 26 Cb 0.69 -0.85 0.08 0.00 0.53 0.00 0.00 43.42 43.86 2j01 n LEU 26 CO 0.33 -0.46 0.47 0.00 -1.11 0.00 0.00 177.39 176.62 2j01 n ALA 27 N -3.65 0.07 -0.04 1.96 0.00 -0.82 -0.55 120.51 117.48 2j01 n ALA 27 Ca -0.07 0.80 0.00 0.00 0.00 0.00 0.00 53.44 54.16 2j01 n ALA 27 Cb 0.27 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.29 2j01 n ALA 27 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2j01 n THR 28 N -5.18 0.00 -0.32 0.00 5.66 0.48 0.62 114.28 115.53 2j01 n THR 28 Ca 0.10 1.48 0.31 0.00 -3.05 0.00 0.00 64.05 62.89 2j01 n THR 28 Cb 0.35 -2.20 0.57 0.00 -1.55 0.00 0.00 70.33 67.50 2j01 n THR 28 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2j01 h LYS 29 N 0.00 0.01 0.27 1.09 1.57 -1.01 1.43 116.57 119.94 2j01 h LYS 29 Ca 0.00 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2j01 h LYS 29 Cb 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2j01 h LYS 29 CO 0.00 0.01 -0.13 0.82 -0.57 0.00 0.00 179.45 179.58 2j01 h ILE 30 N 0.01 0.77 -0.01 1.86 2.04 0.34 -0.40 117.51 122.13 2j01 h ILE 30 Ca 0.84 -0.33 0.03 0.00 1.00 0.00 0.00 64.86 66.39 2j01 h ILE 30 Cb 2.19 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 39.19 2j01 h ILE 30 CO -0.77 0.07 -0.16 0.00 0.00 0.00 0.00 178.15 177.29 2j01 h ALA 31 N 0.14 -0.19 -0.91 1.87 0.00 0.72 0.69 119.26 121.58 2j01 h ALA 31 Ca -0.04 0.01 0.26 0.00 0.00 0.00 0.00 54.91 55.14 2j01 h ALA 31 Cb 0.40 0.29 -0.15 0.00 0.00 0.00 0.00 17.79 18.33 2j01 h ALA 31 CO 0.06 -0.66 0.28 1.15 0.00 0.00 0.00 179.25 180.09 2j01 h THR 32 N -0.27 0.29 0.59 0.00 2.02 0.41 0.20 112.91 116.14 2j01 h THR 32 Ca 0.06 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 2j01 h THR 32 Cb 0.34 0.06 0.01 0.00 -1.74 0.00 0.00 68.15 66.81 2j01 h THR 32 CO -0.17 0.04 -0.28 0.25 0.37 0.00 0.00 175.52 175.73 2j01 h LEU 33 N 0.21 -0.67 0.00 2.58 5.85 0.79 -3.24 115.31 120.83 2j01 h LEU 33 Ca 0.59 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.28 2j01 h LEU 33 Cb 1.24 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.44 2j01 h LEU 33 CO -0.67 -0.32 0.00 0.18 -0.34 0.00 0.00 178.44 177.29 2j01 n LEU 34 N -5.34 0.00 -4.76 2.25 7.99 0.22 -3.68 117.00 113.68 2j01 n LEU 34 Ca -0.12 0.24 -0.41 0.00 -0.01 0.00 0.00 56.01 55.72 2j01 n LEU 34 Cb 0.34 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.63 2j01 n LEU 34 CO 0.31 0.00 0.98 0.00 -1.51 0.00 0.00 177.39 177.17 2j01 s ARG 35 N -0.96 4.36 -0.79 3.23 1.70 -1.06 -2.65 118.95 122.78 2j01 s ARG 35 Ca 0.00 2.19 -0.25 0.00 -0.47 0.00 0.00 55.73 57.20 2j01 s ARG 35 Cb 0.00 -3.09 -0.20 0.00 -0.57 0.00 0.00 34.95 31.09 2j01 s ARG 35 CO 0.00 -0.20 1.89 0.41 -1.08 0.00 0.00 175.30 176.32 2j01 n GLY 36 N 1.14 1.16 0.05 3.88 0.00 -0.48 -4.46 105.19 106.48 2j01 n GLY 36 Ca 0.01 -0.80 0.11 0.00 0.00 0.00 0.00 46.02 45.35 2j01 n GLY 36 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2j01 n LYS 37 N 7.79 0.41 -0.09 1.61 3.00 -1.22 -4.28 118.16 125.38 2j01 n LYS 37 Ca 0.46 -0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.55 2j01 n LYS 37 Cb 0.44 -1.64 -0.12 0.00 0.00 0.00 0.00 35.03 33.71 2j01 n LYS 37 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 2j01 n HIS 38 N -2.17 0.52 -2.04 5.64 1.44 -1.26 -4.85 115.22 112.50 2j01 n HIS 38 Ca 0.01 0.14 -0.42 0.00 -2.01 0.00 0.00 57.72 55.44 2j01 n HIS 38 Cb 0.48 -1.06 -0.03 0.00 0.12 0.00 0.00 29.99 29.50 2j01 n HIS 38 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 2j01 s ARG 39 N -2.51 3.24 0.00 -1.40 3.00 -1.26 -4.88 118.95 115.14 2j01 s ARG 39 Ca -0.31 1.24 0.00 0.00 -1.00 0.00 0.00 55.73 55.66 2j01 s ARG 39 Cb 0.09 -4.21 0.00 0.00 0.00 0.00 0.00 34.95 30.83 2j01 s ARG 39 CO 0.63 -1.98 0.00 -0.35 0.00 0.00 0.00 175.30 173.60 2j01 n PRO 40 N 8.51 0.00 -3.09 5.12 -0.04 -1.26 -3.73 135.00 140.51 2j01 n PRO 40 Ca 0.22 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.44 2j01 n PRO 40 Cb 0.48 -1.38 -0.04 0.00 -0.04 0.00 0.00 33.50 32.52 2j01 n PRO 40 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2j01 n ASP 41 N 1.21 2.78 -4.76 3.54 9.92 -1.26 -5.09 116.55 122.89 2j01 n ASP 41 Ca 0.00 -3.35 -0.34 0.00 -0.53 0.00 0.00 54.79 50.57 2j01 n ASP 41 Cb 0.00 -0.60 0.03 0.00 -0.64 0.00 0.00 41.12 39.92 2j01 n ASP 41 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 2j01 s TRP 42 N -2.86 2.54 -0.35 1.24 -0.00 -1.24 -4.92 118.94 113.34 2j01 s TRP 42 Ca 0.44 1.55 -0.06 0.00 -0.00 0.00 0.00 56.10 58.02 2j01 s TRP 42 Cb 0.29 -3.30 0.20 0.00 -0.00 0.00 0.00 33.47 30.67 2j01 s TRP 42 CO -0.11 -1.83 1.04 0.99 -0.00 0.00 0.00 176.95 177.05 2j01 s THR 43 N -1.97 -0.28 0.15 5.86 2.01 -1.26 -4.90 115.64 115.25 2j01 s THR 43 Ca 0.72 -0.16 0.19 0.00 0.31 0.00 0.00 61.69 62.74 2j01 s THR 43 Cb -0.24 0.00 0.19 0.00 0.01 0.00 0.00 72.50 72.46 2j01 s THR 43 CO 0.35 0.00 1.52 1.55 -0.69 0.00 0.00 174.62 177.35 2j01 h PRO 44 N 4.81 0.00 -0.01 4.92 0.13 -1.96 0.14 132.00 140.03 2j01 h PRO 44 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2j01 h PRO 44 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2j01 h PRO 44 CO -0.08 0.00 -0.62 0.27 -0.23 0.00 0.00 178.00 177.34 2j01 n ASN 45 N -2.30 1.73 0.02 1.44 0.23 -1.26 -4.68 115.26 110.44 2j01 n ASN 45 Ca -0.01 -1.37 -0.01 0.00 -0.53 0.00 0.00 54.58 52.66 2j01 n ASN 45 Cb 0.29 0.63 -0.01 0.00 -2.08 0.00 0.00 39.78 38.61 2j01 n ASN 45 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 2j01 h VAL 46 N 1.74 0.00 0.00 3.53 3.04 -1.38 -3.50 116.25 119.69 2j01 h VAL 46 Ca 0.00 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 2j01 h VAL 46 Cb 0.68 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 29.96 2j01 h VAL 46 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.56 2j01 n ALA 47 N -2.28 0.00 -3.15 3.17 0.00 -1.26 -5.13 120.51 111.86 2j01 n ALA 47 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.11 2j01 n ALA 47 Cb 0.04 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.32 2j01 n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j01 s MET 48 N 0.53 3.02 0.00 0.00 0.23 -1.26 -5.06 119.30 116.77 2j01 s MET 48 Ca 0.00 -0.87 0.00 0.00 -1.03 0.00 0.00 55.69 53.79 2j01 s MET 48 Cb 0.00 -2.31 0.00 0.00 -1.53 0.00 0.00 34.83 30.99 2j01 s MET 48 CO 0.00 0.21 0.00 0.41 -2.03 0.00 0.00 175.02 173.61 2j01 n GLY 49 N 3.45 -0.23 3.73 3.16 0.00 -1.26 -1.38 105.19 112.66 2j01 n GLY 49 Ca -0.19 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.44 2j01 n GLY 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2j01 s ASP 50 N 0.00 4.66 -0.43 1.61 1.01 -1.08 -4.66 116.67 117.77 2j01 s ASP 50 Ca 0.00 2.66 0.02 0.00 0.71 0.00 0.00 52.55 55.94 2j01 s ASP 50 Cb 0.00 -2.62 0.50 0.00 1.01 0.00 0.00 42.92 41.81 2j01 s ASP 50 CO 0.00 -1.97 1.85 0.49 0.21 0.00 0.00 175.17 175.75 2j01 n PHE 51 N -1.81 2.61 -0.00 4.23 3.01 -1.26 -4.59 117.46 119.65 2j01 n PHE 51 Ca 0.15 -1.95 -0.00 0.00 1.01 0.00 0.00 57.45 56.66 2j01 n PHE 51 Cb 0.48 -0.98 -0.00 0.00 -0.01 0.00 0.00 39.48 38.97 2j01 n PHE 51 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 2j01 n VAL 52 N -0.77 0.00 -3.95 -4.37 0.31 -1.26 -4.43 118.33 103.86 2j01 n VAL 52 Ca 0.51 -0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.58 2j01 n VAL 52 Cb 1.22 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 33.98 2j01 n VAL 52 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2j01 s VAL 53 N -0.00 0.86 -0.16 2.52 1.01 0.28 -1.68 120.40 123.23 2j01 s VAL 53 Ca 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 2j01 s VAL 53 Cb -0.00 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 2j01 s VAL 53 CO 0.00 0.33 -0.05 -0.69 0.00 0.00 0.00 175.10 174.70 2j01 s VAL 54 N 1.63 3.76 0.53 2.92 1.01 -0.68 0.20 120.40 129.77 2j01 s VAL 54 Ca 0.02 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.64 2j01 s VAL 54 Cb -0.13 -2.65 0.03 0.00 0.00 0.00 0.00 36.38 33.63 2j01 s VAL 54 CO -0.06 0.49 0.27 0.52 0.00 0.00 0.00 175.10 176.31 2j01 n VAL 55 N 3.67 0.00 -4.00 2.92 0.31 -0.29 -1.07 118.33 119.86 2j01 n VAL 55 Ca -0.17 -2.23 -0.43 0.00 -0.01 0.00 0.00 64.34 61.49 2j01 n VAL 55 Cb 0.52 0.14 0.02 0.00 -0.91 0.00 0.00 33.84 33.62 2j01 n VAL 55 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2j01 n ASN 56 N -1.65 -4.36 -3.02 4.52 4.05 -1.25 -4.62 115.26 108.92 2j01 n ASN 56 Ca -0.09 -1.24 -0.02 0.00 0.45 0.00 0.00 54.58 53.69 2j01 n ASN 56 Cb 0.63 -1.87 0.01 0.00 1.23 0.00 0.00 39.78 39.78 2j01 n ASN 56 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2j01 n ALA 57 N -4.74 -0.27 0.00 5.20 0.00 -0.71 -4.61 120.51 115.39 2j01 n ALA 57 Ca -0.13 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2j01 n ALA 57 Cb 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2j01 n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2j01 n ASP 58 N -2.32 0.00 0.00 0.00 5.75 -1.26 -4.56 116.55 114.16 2j01 n ASP 58 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 2j01 n ASP 58 Cb 0.03 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 2j01 n ASP 58 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2j01 n LYS 59 N 3.99 0.00 -2.38 0.11 4.76 -1.26 -4.68 118.16 118.70 2j01 n LYS 59 Ca 0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 2j01 n LYS 59 Cb 0.00 -4.33 -0.03 0.00 -1.84 0.00 0.00 35.03 28.83 2j01 n LYS 59 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2j01 s ILE 60 N -1.16 4.02 1.08 -0.18 1.01 -1.22 -4.42 121.20 120.33 2j01 s ILE 60 Ca 0.00 1.40 -0.16 0.00 0.00 0.00 0.00 60.65 61.90 2j01 s ILE 60 Cb 0.00 -3.90 0.23 0.00 0.01 0.00 0.00 42.46 38.80 2j01 s ILE 60 CO 0.00 0.04 1.13 -0.13 0.00 0.00 0.00 174.94 175.98 2j01 s ARG 61 N 1.83 -0.21 -0.42 2.79 1.81 -0.79 -4.94 118.95 119.02 2j01 s ARG 61 Ca 0.59 0.14 0.06 0.00 -1.72 0.00 0.00 55.73 54.79 2j01 s ARG 61 Cb -0.28 -1.70 0.32 0.00 -0.45 0.00 0.00 34.95 32.84 2j01 s ARG 61 CO 0.26 -3.08 1.21 1.55 -0.68 0.00 0.00 175.30 174.56 2j01 n VAL 62 N -4.35 0.00 0.00 3.52 3.14 -1.26 -3.85 118.33 115.53 2j01 n VAL 62 Ca 0.10 -1.24 0.00 0.00 -2.96 0.00 0.00 64.34 60.23 2j01 n VAL 62 Cb 0.59 1.36 0.00 0.00 -1.06 0.00 0.00 33.84 34.73 2j01 n VAL 62 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2j01 n THR 63 N 0.38 0.00 -0.18 1.55 -2.24 -1.26 -4.66 114.28 107.87 2j01 n THR 63 Ca 0.02 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.80 2j01 n THR 63 Cb 0.72 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.95 2j01 n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2j01 n GLY 64 N 0.00 -0.26 3.70 3.38 0.00 -1.26 -4.81 105.19 105.94 2j01 n GLY 64 Ca 0.00 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 2j01 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j01 s LYS 65 N -0.71 4.34 -0.42 1.61 -0.14 -1.26 -4.93 119.74 118.23 2j01 s LYS 65 Ca 0.01 0.64 0.05 0.00 -1.36 0.00 0.00 55.97 55.31 2j01 s LYS 65 Cb -0.00 -3.48 0.43 0.00 -1.68 0.00 0.00 37.83 33.10 2j01 s LYS 65 CO 0.01 0.02 1.20 1.63 -0.76 0.00 0.00 175.35 177.44 2j01 n LYS 66 N 4.08 3.44 -2.48 1.68 4.76 -1.26 -4.52 118.16 123.86 2j01 n LYS 66 Ca -0.04 -4.34 -0.43 0.00 -2.87 0.00 0.00 58.31 50.64 2j01 n LYS 66 Cb 0.51 -2.26 0.00 0.00 -1.84 0.00 0.00 35.03 31.44 2j01 n LYS 66 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2j01 n LEU 67 N -0.56 6.23 0.00 -0.35 4.77 -1.26 -3.89 117.00 121.94 2j01 n LEU 67 Ca 0.42 -4.55 0.00 0.00 -0.03 0.00 0.00 56.01 51.84 2j01 n LEU 67 Cb 0.73 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 2j01 n LEU 67 CO 0.37 1.16 0.00 -0.62 -1.33 0.00 0.00 177.39 176.97 2j01 n GLU 68 N 4.56 0.00 0.05 3.23 1.02 -1.26 -4.86 120.64 123.39 2j01 n GLU 68 Ca 0.40 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.53 2j01 n GLU 68 Cb 0.38 -2.33 -0.07 0.00 -0.02 0.00 0.00 31.44 29.40 2j01 n GLU 68 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2j01 h GLN 69 N 2.25 0.00 -4.39 3.49 1.08 -1.79 -3.41 115.11 112.34 2j01 h GLN 69 Ca 0.00 0.00 -0.73 0.00 -1.45 0.00 0.00 58.65 56.47 2j01 h GLN 69 Cb 0.00 0.00 -0.23 0.00 -0.05 0.00 0.00 27.48 27.20 2j01 h GLN 69 CO 0.00 0.43 -0.38 0.21 -0.95 0.00 0.00 178.83 178.13 2j01 s LYS 70 N -2.87 2.92 -0.01 1.46 2.47 -1.26 -4.95 119.74 117.51 2j01 s LYS 70 Ca -0.01 -1.26 0.00 0.00 -1.56 0.00 0.00 55.97 53.14 2j01 s LYS 70 Cb 0.08 -4.03 -0.04 0.00 -1.46 0.00 0.00 37.83 32.39 2j01 s LYS 70 CO 0.80 -0.93 0.05 0.42 0.16 0.00 0.00 175.35 175.85 2j01 s ILE 71 N 1.62 4.54 -0.74 5.43 1.01 -1.26 -1.40 121.20 130.40 2j01 s ILE 71 Ca 0.04 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.24 2j01 s ILE 71 Cb -0.22 -3.05 0.18 0.00 0.01 0.00 0.00 42.46 39.37 2j01 s ILE 71 CO 0.07 0.37 0.56 -0.31 0.00 0.00 0.00 174.94 175.62 2j01 s TYR 72 N -1.15 3.61 0.12 3.97 1.51 1.01 -4.88 117.35 121.55 2j01 s TYR 72 Ca 0.21 -3.12 -0.20 0.00 -1.01 0.00 0.00 57.07 52.95 2j01 s TYR 72 Cb -0.12 -2.98 -0.06 0.00 -0.11 0.00 0.00 41.96 38.69 2j01 s TYR 72 CO 0.12 -0.68 1.76 1.15 -1.11 0.00 0.00 175.55 176.79 2j01 h THR 73 N 4.54 1.00 0.00 -0.71 2.02 -1.81 -2.07 112.91 115.87 2j01 h THR 73 Ca 0.10 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.21 2j01 h THR 73 Cb 0.82 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 2j01 h THR 73 CO 0.76 0.04 0.00 0.54 0.37 0.00 0.00 175.52 177.23 2j01 n ARG 74 N -5.01 0.00 -3.28 6.66 5.12 -1.26 -4.32 116.66 114.57 2j01 n ARG 74 Ca -0.03 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.50 2j01 n ARG 74 Cb 0.05 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.28 2j01 n ARG 74 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2j01 s TYR 75 N 0.00 3.31 -0.37 -1.55 1.51 -1.25 -5.02 117.35 113.98 2j01 s TYR 75 Ca 0.00 0.64 0.01 0.00 -1.01 0.00 0.00 57.07 56.71 2j01 s TYR 75 Cb 0.00 -2.66 0.12 0.00 -0.11 0.00 0.00 41.96 39.31 2j01 s TYR 75 CO 0.00 -0.19 0.16 0.45 -1.11 0.00 0.00 175.55 174.86 2j01 s SER 76 N 1.37 3.92 0.00 2.29 0.15 -1.26 -2.18 113.70 117.99 2j01 s SER 76 Ca 0.21 -2.12 0.00 0.00 0.70 0.00 0.00 55.95 54.74 2j01 s SER 76 Cb -0.15 -1.00 0.00 0.00 -1.71 0.00 0.00 66.02 63.16 2j01 s SER 76 CO 0.09 -0.35 0.38 0.61 1.20 0.00 0.00 173.24 175.17 2j01 n GLY 77 N 4.22 -2.83 0.00 9.45 0.00 -1.02 -5.00 105.19 110.01 2j01 n GLY 77 Ca 0.03 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.33 2j01 n GLY 77 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2j01 n TYR 78 N -0.55 0.00 0.11 1.61 0.18 -1.26 -5.06 117.16 112.19 2j01 n TYR 78 Ca 0.00 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.58 2j01 n TYR 78 Cb 0.00 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 38.81 2j01 n TYR 78 CO 0.00 0.00 0.00 -1.00 -2.08 0.00 0.00 176.86 173.78 2j01 h PRO 79 N 0.00 0.39 0.00 -3.48 0.13 -2.06 -3.45 132.00 123.53 2j01 h PRO 79 Ca 0.00 -0.67 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 2j01 h PRO 79 Cb 0.00 0.25 0.00 0.00 0.13 0.00 0.00 31.00 31.38 2j01 h PRO 79 CO 0.00 1.31 0.00 0.41 -0.23 0.00 0.00 178.00 179.49 2j01 n GLY 80 N 1.66 0.39 3.28 1.56 0.00 -1.26 -5.15 105.19 105.67 2j01 n GLY 80 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 2j01 n GLY 80 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2j01 s GLY 81 N 0.00 1.44 -0.92 -0.02 0.00 -1.26 -5.03 107.32 101.53 2j01 s GLY 81 Ca 0.00 -0.95 -0.00 0.00 0.00 0.00 0.00 44.72 43.76 2j01 s GLY 81 CO 0.00 -0.21 1.41 1.47 0.00 0.00 0.00 173.10 175.77 2j01 n LEU 82 N 3.63 6.05 -3.29 0.66 -0.00 -1.26 -2.43 117.00 120.36 2j01 n LEU 82 Ca -0.19 -5.38 -0.47 0.00 -0.00 0.00 0.00 56.01 49.98 2j01 n LEU 82 Cb 0.53 -1.04 -0.08 0.00 -0.00 0.00 0.00 43.42 42.82 2j01 n LEU 82 CO 0.29 1.97 1.06 1.17 -0.00 0.00 0.00 177.39 181.87 2j01 n LYS 83 N 0.56 0.00 -3.98 1.47 4.81 -0.93 -4.84 118.16 115.25 2j01 n LYS 83 Ca 0.34 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.47 2j01 n LYS 83 Cb 0.33 -1.10 -0.05 0.00 0.02 0.00 0.00 35.03 34.23 2j01 n LYS 83 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2j01 s LYS 84 N 3.31 3.23 -0.03 1.64 1.02 -1.26 -3.87 119.74 123.78 2j01 s LYS 84 Ca 0.82 -0.51 -0.01 0.00 0.02 0.00 0.00 55.97 56.30 2j01 s LYS 84 Cb -1.10 -2.93 0.03 0.00 -0.52 0.00 0.00 37.83 33.31 2j01 s LYS 84 CO 0.54 0.61 0.06 0.42 -0.92 0.00 0.00 175.35 176.06 2j01 s ILE 85 N -1.42 -0.08 0.66 2.17 1.01 -0.78 -4.89 121.20 117.87 2j01 s ILE 85 Ca 0.31 0.28 -0.10 0.00 0.00 0.00 0.00 60.65 61.14 2j01 s ILE 85 Cb -0.13 -0.13 0.00 0.00 0.01 0.00 0.00 42.46 42.21 2j01 s ILE 85 CO 0.24 0.12 1.04 -2.16 0.00 0.00 0.00 174.94 174.17 2j01 s PRO 86 N 1.45 3.05 0.05 2.79 0.04 -1.26 0.33 135.00 141.45 2j01 s PRO 86 Ca -0.05 0.44 -0.19 0.00 0.04 0.00 0.00 61.00 61.25 2j01 s PRO 86 Cb -0.13 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 32.25 2j01 s PRO 86 CO -0.04 -0.86 1.30 -0.07 0.04 0.00 0.00 177.00 177.38 2j01 h LEU 87 N -0.48 -0.85 -0.33 -3.56 3.38 -1.43 -2.86 115.31 109.18 2j01 h LEU 87 Ca -0.45 0.09 0.07 0.00 0.09 0.00 0.00 57.88 57.67 2j01 h LEU 87 Cb 1.24 0.31 -0.06 0.00 0.09 0.00 0.00 40.66 42.23 2j01 h LEU 87 CO 0.63 -0.32 -0.08 -0.62 0.09 0.00 0.00 178.44 178.14 2j01 n GLU 88 N -4.08 -0.03 0.00 1.13 1.02 -1.26 -0.27 120.64 117.15 2j01 n GLU 88 Ca -0.05 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 2j01 n GLU 88 Cb 0.23 -0.77 0.00 0.00 -0.02 0.00 0.00 31.44 30.88 2j01 n GLU 88 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2j01 n LYS 89 N -4.53 0.00 -0.31 3.49 4.76 -1.08 -1.47 118.16 119.01 2j01 n LYS 89 Ca 0.05 0.60 0.17 0.00 -2.87 0.00 0.00 58.31 56.26 2j01 n LYS 89 Cb 0.17 -1.44 0.36 0.00 -1.84 0.00 0.00 35.03 32.28 2j01 n LYS 89 CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 2j01 h MET 90 N 0.00 0.24 0.46 1.97 2.86 -0.72 0.54 114.93 120.28 2j01 h MET 90 Ca 0.00 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2j01 h MET 90 Cb 0.00 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 2j01 h MET 90 CO 0.00 0.16 -0.49 -0.07 1.06 0.00 0.00 176.91 177.57 2j01 h LEU 91 N 0.25 -1.35 0.00 1.22 3.38 -1.17 0.27 115.31 117.90 2j01 h LEU 91 Ca 0.62 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.70 2j01 h LEU 91 Cb 1.33 0.45 0.00 0.00 0.09 0.00 0.00 40.66 42.53 2j01 h LEU 91 CO -0.65 -0.63 0.00 0.00 0.09 0.00 0.00 178.44 177.25 2j01 n ALA 92 N -2.80 -0.13 -1.82 1.53 0.00 0.05 -3.46 120.51 113.87 2j01 n ALA 92 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.90 2j01 n ALA 92 Cb 0.44 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.86 2j01 n ALA 92 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2j01 s THR 93 N -1.43 3.27 0.00 0.00 -1.32 0.17 -4.40 115.64 111.94 2j01 s THR 93 Ca 0.00 0.29 0.00 0.00 -1.21 0.00 0.00 61.69 60.77 2j01 s THR 93 Cb 0.00 -3.34 0.00 0.00 -1.51 0.00 0.00 72.50 67.65 2j01 s THR 93 CO 0.00 -0.19 0.00 0.00 -2.21 0.00 0.00 174.62 172.22 2j01 n HIS 94 N 10.38 0.00 0.00 9.09 -0.00 -1.24 -3.92 115.22 129.53 2j01 n HIS 94 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.97 2j01 n HIS 94 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.44 2j01 n HIS 94 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 2j01 n PRO 95 N 1.11 0.00 0.00 -1.40 -0.04 0.94 -4.61 135.00 131.00 2j01 n PRO 95 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2j01 n PRO 95 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2j01 n PRO 95 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2j01 n GLU 96 N 0.00 0.00 -0.35 0.54 0.00 -1.26 -3.85 120.64 115.71 2j01 n GLU 96 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.18 2j01 n GLU 96 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 31.44 31.52 2j01 n GLU 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2j01 h ARG 97 N 0.00 -0.01 -0.39 3.44 3.08 -1.93 0.16 114.38 118.72 2j01 h ARG 97 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.11 2j01 h ARG 97 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 2j01 h ARG 97 CO 0.00 -0.01 -0.15 0.28 -1.07 0.00 0.00 179.97 179.02 2j01 n VAL 98 N -5.54 -0.20 0.01 2.04 0.31 -1.25 0.22 118.33 113.91 2j01 n VAL 98 Ca 0.12 0.92 -0.18 0.00 -0.01 0.00 0.00 64.34 65.19 2j01 n VAL 98 Cb 0.44 -1.22 -0.12 0.00 -0.91 0.00 0.00 33.84 32.03 2j01 n VAL 98 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2j01 h LEU 99 N 0.00 0.43 -0.48 7.52 7.12 -1.06 -3.18 115.31 125.66 2j01 h LEU 99 Ca 0.14 -0.84 0.05 0.00 0.13 0.00 0.00 57.88 57.36 2j01 h LEU 99 Cb 0.24 -0.13 -0.07 0.00 -0.53 0.00 0.00 40.66 40.16 2j01 h LEU 99 CO -0.39 1.22 -0.45 -0.33 -0.13 0.00 0.00 178.44 178.36 2j01 h GLU 100 N -0.31 -0.21 -0.60 1.25 5.08 0.33 0.41 114.58 120.54 2j01 h GLU 100 Ca -0.09 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.41 2j01 h GLU 100 Cb 1.35 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 30.55 2j01 h GLU 100 CO 0.11 -0.14 -0.01 0.45 -1.00 0.00 0.00 179.01 178.42 2j01 h HIS 101 N -0.21 -0.06 -0.89 4.33 3.86 -0.71 0.52 115.15 121.99 2j01 h HIS 101 Ca 0.08 0.05 0.25 0.00 -1.16 0.00 0.00 60.37 59.59 2j01 h HIS 101 Cb 0.42 0.12 -0.04 0.00 1.06 0.00 0.00 27.41 28.98 2j01 h HIS 101 CO -0.80 -0.17 0.64 0.00 0.86 0.00 0.00 177.93 178.46 2j01 h ALA 102 N 1.55 2.81 0.15 2.45 0.00 -0.95 -1.12 119.26 124.15 2j01 h ALA 102 Ca 0.31 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.94 2j01 h ALA 102 Cb 0.50 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.36 2j01 h ALA 102 CO -0.52 -1.06 -1.21 0.28 0.00 0.00 0.00 179.25 176.74 2j01 h VAL 103 N 0.02 1.25 -0.17 0.00 2.07 0.12 -3.37 116.25 116.17 2j01 h VAL 103 Ca 0.43 -2.50 0.05 0.00 0.82 0.00 0.00 66.70 65.50 2j01 h VAL 103 Cb 1.67 2.95 -0.07 0.00 -1.52 0.00 0.00 31.29 34.32 2j01 h VAL 103 CO -0.02 0.73 -0.32 0.50 0.02 0.00 0.00 177.57 178.49 2j01 h LYS 104 N -0.25 -0.36 -1.31 1.57 3.64 -0.12 -0.79 116.57 118.96 2j01 h LYS 104 Ca -0.24 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 2j01 h LYS 104 Cb 1.79 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.69 2j01 h LYS 104 CO 0.13 -0.24 0.00 0.41 -2.27 0.00 0.00 179.45 177.48 2j01 n GLY 105 N -1.41 0.74 0.00 5.01 0.00 -1.04 -0.95 105.19 107.55 2j01 n GLY 105 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2j01 n GLY 105 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2j01 n MET 106 N 0.68 3.36 -3.31 1.61 2.81 -0.34 -5.05 117.12 116.88 2j01 n MET 106 Ca 0.00 0.00 -0.38 0.00 -1.81 0.00 0.00 57.70 55.51 2j01 n MET 106 Cb 0.17 -0.60 -0.06 0.00 -0.71 0.00 0.00 33.22 32.03 2j01 n MET 106 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2j01 s LEU 107 N -0.95 4.52 0.62 4.03 1.43 -0.12 -4.96 118.68 123.24 2j01 s LEU 107 Ca 0.00 1.22 -0.17 0.00 -1.03 0.00 0.00 54.13 54.15 2j01 s LEU 107 Cb 0.00 -2.87 -0.07 0.00 0.03 0.00 0.00 46.19 43.28 2j01 s LEU 107 CO 0.00 0.28 0.55 -0.81 0.23 0.00 0.00 176.35 176.60 2j01 n PRO 108 N 1.69 0.48 0.29 1.29 -0.04 -1.26 -4.92 135.00 132.53 2j01 n PRO 108 Ca -0.11 0.19 0.18 0.00 -0.04 0.00 0.00 63.50 63.73 2j01 n PRO 108 Cb 0.51 -1.77 0.82 0.00 -0.04 0.00 0.00 33.50 33.02 2j01 n PRO 108 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 2j01 h LYS 109 N 0.07 0.00 0.00 0.54 2.10 -1.93 -3.27 116.57 114.08 2j01 h LYS 109 Ca -0.46 0.00 -0.41 0.00 -2.00 0.00 0.00 60.65 57.79 2j01 h LYS 109 Cb 1.38 0.00 0.20 0.00 -0.90 0.00 0.00 32.23 32.91 2j01 h LYS 109 CO 0.46 0.01 0.16 0.41 -2.00 0.00 0.00 179.45 178.48 2j01 n GLY 110 N -0.28 -2.62 0.05 0.07 0.00 -1.26 -4.72 105.19 96.43 2j01 n GLY 110 Ca -0.00 -1.52 0.05 0.00 0.00 0.00 0.00 46.02 44.54 2j01 n GLY 110 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2j01 n PRO 111 N -4.76 0.05 -0.05 1.61 -0.02 -1.26 -0.65 135.00 129.92 2j01 n PRO 111 Ca 0.16 0.49 -0.01 0.00 -2.02 0.00 0.00 63.50 62.12 2j01 n PRO 111 Cb 0.60 -1.65 -0.00 0.00 -0.02 0.00 0.00 33.50 32.42 2j01 n PRO 111 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2j01 h LEU 112 N 0.00 0.00 -2.08 2.45 5.85 -1.89 0.26 115.31 119.90 2j01 h LEU 112 Ca 0.00 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.81 2j01 h LEU 112 Cb 0.07 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 2j01 h LEU 112 CO 0.00 0.48 0.34 1.23 -0.34 0.00 0.00 178.44 180.14 2j01 h GLY 113 N -0.84 0.00 0.75 3.75 0.00 -1.49 3.28 103.07 108.52 2j01 h GLY 113 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 2j01 h GLY 113 CO 0.00 0.00 -0.25 -0.09 0.00 0.00 0.00 176.54 176.20 2j01 h ARG 114 N 0.00 0.39 -0.50 4.80 2.43 -0.94 -1.03 114.38 119.53 2j01 h ARG 114 Ca 0.15 -0.25 -0.09 0.00 -0.81 0.00 0.00 59.98 58.98 2j01 h ARG 114 Cb 0.83 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 2j01 h ARG 114 CO -0.00 0.85 -0.05 -0.09 -1.51 0.00 0.00 179.97 179.16 2j01 h ARG 115 N -0.01 0.89 -0.43 0.20 2.43 0.64 -2.86 114.38 115.24 2j01 h ARG 115 Ca 0.01 -0.28 -0.09 0.00 -0.81 0.00 0.00 59.98 58.80 2j01 h ARG 115 Cb 0.84 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 2j01 h ARG 115 CO 0.06 0.92 -0.12 -0.07 -1.51 0.00 0.00 179.97 179.25 2j01 h LEU 116 N 0.81 0.76 -2.08 3.80 3.38 0.49 -0.39 115.31 122.07 2j01 h LEU 116 Ca 0.14 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2j01 h LEU 116 Cb 0.56 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2j01 h LEU 116 CO 0.03 0.90 -0.05 0.15 0.09 0.00 0.00 178.44 179.56 2j01 h PHE 117 N 0.69 0.00 0.00 1.13 3.57 -0.97 0.12 116.94 121.48 2j01 h PHE 117 Ca 0.12 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.62 2j01 h PHE 117 Cb 0.59 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.33 2j01 h PHE 117 CO 0.03 0.05 0.00 0.87 -2.23 0.00 0.00 178.31 177.03 2j01 h LYS 118 N 0.00 0.00 0.08 1.11 1.57 -0.86 -3.16 116.57 115.31 2j01 h LYS 118 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2j01 h LYS 118 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2j01 h LYS 118 CO 0.01 0.00 -0.04 0.00 -0.57 0.00 0.00 179.45 178.85 2j01 h ARG 119 N 0.00 -0.10 -6.02 3.15 2.47 -0.95 -3.46 114.38 109.47 2j01 h ARG 119 Ca 0.00 0.01 -0.73 0.00 -1.26 0.00 0.00 59.98 58.00 2j01 h ARG 119 Cb 0.41 0.02 0.08 0.00 -1.65 0.00 0.00 29.97 28.83 2j01 h ARG 119 CO 0.00 0.32 -0.17 -0.11 0.56 0.00 0.00 179.97 180.57 2j01 n LEU 120 N -4.80 -0.41 -3.48 3.04 -0.00 -1.20 -4.66 117.00 105.49 2j01 n LEU 120 Ca -0.06 1.15 -0.28 0.00 -0.00 0.00 0.00 56.01 56.82 2j01 n LEU 120 Cb 0.23 -0.95 -0.13 0.00 -0.00 0.00 0.00 43.42 42.56 2j01 n LEU 120 CO 0.18 -2.31 -0.31 -0.75 -0.00 0.00 0.00 177.39 174.20 2j01 s LYS 121 N -0.44 0.42 -0.10 1.96 2.47 -0.68 -5.02 119.74 118.34 2j01 s LYS 121 Ca 0.79 -1.00 -0.06 0.00 -1.56 0.00 0.00 55.97 54.13 2j01 s LYS 121 Cb -1.10 -1.21 -0.04 0.00 -1.46 0.00 0.00 37.83 34.02 2j01 s LYS 121 CO 0.56 -1.14 0.14 0.08 0.16 0.00 0.00 175.35 175.16 2j01 s VAL 122 N 1.47 5.47 0.11 4.02 1.01 -1.26 -1.68 120.40 129.54 2j01 s VAL 122 Ca 0.15 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.30 2j01 s VAL 122 Cb -0.20 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 2j01 s VAL 122 CO -0.13 0.58 -0.08 -0.31 0.00 0.00 0.00 175.10 175.16 2j01 s TYR 123 N -1.07 1.02 -1.17 5.22 1.51 -0.24 -4.97 117.35 117.65 2j01 s TYR 123 Ca 0.17 -0.84 -0.07 0.00 -1.01 0.00 0.00 57.07 55.32 2j01 s TYR 123 Cb -0.12 -0.56 0.24 0.00 -0.11 0.00 0.00 41.96 41.41 2j01 s TYR 123 CO 0.06 -0.06 1.60 0.00 -1.11 0.00 0.00 175.55 176.04 2j01 n ALA 124 N -0.02 5.07 -1.45 3.71 0.00 -1.26 -1.73 120.51 124.82 2j01 n ALA 124 Ca -0.12 -4.56 0.00 0.00 0.00 0.00 0.00 53.44 48.76 2j01 n ALA 124 Cb 0.60 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 17.40 2j01 n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2j01 n GLY 125 N 2.23 1.33 3.34 0.00 0.00 -1.26 -4.67 105.19 106.16 2j01 n GLY 125 Ca 0.32 -1.50 -0.32 0.00 0.00 0.00 0.00 46.02 44.52 2j01 n GLY 125 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2j01 n PRO 126 N 0.00 -1.10 0.00 1.61 -0.04 -1.26 -4.27 135.00 129.94 2j01 n PRO 126 Ca 0.00 -0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.17 2j01 n PRO 126 Cb 0.00 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 2j01 n PRO 126 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2j01 n ASP 127 N -1.68 0.00 -3.07 3.54 9.92 -1.26 -4.73 116.55 119.27 2j01 n ASP 127 Ca 0.03 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 54.02 2j01 n ASP 127 Cb 0.58 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 41.02 2j01 n ASP 127 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2j01 n HIS 128 N 1.97 3.92 -1.49 1.24 1.44 -1.26 -4.86 115.22 116.18 2j01 n HIS 128 Ca 0.00 -3.96 -0.12 0.00 -2.01 0.00 0.00 57.72 51.62 2j01 n HIS 128 Cb 0.00 -0.54 -0.10 0.00 0.12 0.00 0.00 29.99 29.47 2j01 n HIS 128 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 2j01 n PRO 129 N -0.01 0.19 0.00 -1.40 -0.04 -1.26 -2.69 135.00 129.79 2j01 n PRO 129 Ca 0.31 -1.12 0.00 0.00 -0.04 0.00 0.00 63.50 62.65 2j01 n PRO 129 Cb 0.39 -3.27 0.00 0.00 -0.04 0.00 0.00 33.50 30.58 2j01 n PRO 129 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2j01 n HIS 130 N 16.54 0.00 -4.22 0.54 -0.00 -1.26 -5.16 115.22 121.66 2j01 n HIS 130 Ca 0.39 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.85 2j01 n HIS 130 Cb 0.44 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.35 2j01 n HIS 130 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 2j01 s GLN 131 N 0.00 2.39 0.00 1.57 -0.21 -1.10 -4.97 119.66 117.34 2j01 s GLN 131 Ca 0.00 -1.16 0.00 0.00 0.02 0.00 0.00 55.36 54.22 2j01 s GLN 131 Cb 0.00 -2.32 0.00 0.00 1.00 0.00 0.00 33.01 31.69 2j01 s GLN 131 CO 0.00 0.44 0.00 0.00 -2.12 0.00 0.00 175.29 173.61 2j01 n ALA 132 N -0.27 1.10 -2.92 6.09 0.00 -1.26 -4.91 120.51 118.34 2j01 n ALA 132 Ca -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.21 2j01 n ALA 132 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 2j01 n ALA 132 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2j01 n GLN 133 N -0.60 0.71 -2.71 0.00 7.27 -1.26 -5.11 117.38 115.69 2j01 n GLN 133 Ca 0.00 -2.28 -0.43 0.00 0.07 0.00 0.00 57.00 54.36 2j01 n GLN 133 Cb 0.00 -1.40 -0.03 0.00 2.41 0.00 0.00 30.24 31.22 2j01 n GLN 133 CO 0.00 0.00 0.00 -0.98 0.07 0.00 0.00 177.06 176.15 2j01 s ARG 134 N 0.10 3.65 -0.73 3.69 1.70 -1.26 -4.68 118.95 121.42 2j01 s ARG 134 Ca 0.33 0.40 -0.02 0.00 -0.47 0.00 0.00 55.73 55.96 2j01 s ARG 134 Cb 0.18 -3.91 0.35 0.00 -0.57 0.00 0.00 34.95 31.00 2j01 s ARG 134 CO -0.19 -1.28 2.11 -0.35 -1.08 0.00 0.00 175.30 174.50 2j01 n PRO 135 N 7.48 2.65 0.00 3.89 -0.04 -1.26 -4.79 135.00 142.93 2j01 n PRO 135 Ca 0.09 -3.24 0.00 0.00 -0.04 0.00 0.00 63.50 60.31 2j01 n PRO 135 Cb 0.49 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 2j01 n PRO 135 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2j01 n GLU 136 N -0.48 0.00 -3.89 0.54 2.13 -1.23 -4.36 120.64 113.36 2j01 n GLU 136 Ca 0.55 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 58.10 2j01 n GLU 136 Cb 0.41 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.09 2j01 n GLU 136 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2j01 s LYS 137 N 0.00 3.46 -0.79 5.31 2.20 -0.40 -4.88 119.74 124.64 2j01 s LYS 137 Ca 0.00 -0.52 0.02 0.00 -0.36 0.00 0.00 55.97 55.11 2j01 s LYS 137 Cb 0.00 -2.94 0.32 0.00 -1.51 0.00 0.00 37.83 33.70 2j01 s LYS 137 CO 0.00 0.50 1.30 1.28 -0.36 0.00 0.00 175.35 178.07 2j01 n LEU 138 N -0.50 5.64 0.00 5.43 4.77 -1.26 -4.75 117.00 126.33 2j01 n LEU 138 Ca -0.06 -5.52 0.00 0.00 -0.03 0.00 0.00 56.01 50.39 2j01 n LEU 138 Cb 0.54 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 2j01 n LEU 138 CO 0.49 2.17 0.00 1.21 -1.33 0.00 0.00 177.39 179.93