#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j03 n LYS 2 N 0.00 0.48 -3.61 2.12 4.01 -1.26 -5.18 118.16 114.72 2j03 n LYS 2 Ca 0.00 0.00 -0.03 0.00 -0.51 0.00 0.00 58.31 57.77 2j03 n LYS 2 Cb 0.00 0.00 -0.01 0.00 -0.51 0.00 0.00 35.03 34.51 2j03 n LYS 2 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 2j03 s THR 3 N -1.60 0.00 -0.49 -0.18 2.01 -1.26 -5.13 115.64 108.99 2j03 s THR 3 Ca 0.00 -0.18 0.06 0.00 0.31 0.00 0.00 61.69 61.88 2j03 s THR 3 Cb 0.00 -1.48 0.23 0.00 0.01 0.00 0.00 72.50 71.27 2j03 s THR 3 CO 0.00 0.00 0.88 -1.22 -0.69 0.00 0.00 174.62 173.59 2j03 n TYR 4 N -0.31 -3.37 -4.57 4.92 4.02 -1.26 -5.15 117.16 111.43 2j03 n TYR 4 Ca -0.05 -1.68 -0.31 0.00 -0.01 0.00 0.00 57.90 55.85 2j03 n TYR 4 Cb 0.61 1.55 -0.12 0.00 -0.02 0.00 0.00 39.34 41.36 2j03 n TYR 4 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2j03 s VAL 5 N 0.71 2.90 -0.06 -0.72 1.01 -1.26 -5.00 120.40 117.98 2j03 s VAL 5 Ca 0.32 -1.20 -0.04 0.00 0.00 0.00 0.00 61.98 61.06 2j03 s VAL 5 Cb 0.20 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 2j03 s VAL 5 CO -0.22 0.30 0.12 -2.16 0.00 0.00 0.00 175.10 173.13 2j03 s PRO 6 N -1.57 3.29 0.00 2.72 0.04 -1.26 -5.13 135.00 133.09 2j03 s PRO 6 Ca 0.16 -0.30 0.00 0.00 0.04 0.00 0.00 61.00 60.90 2j03 s PRO 6 Cb -0.11 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.40 2j03 s PRO 6 CO 0.07 0.71 0.00 1.63 0.04 0.00 0.00 177.00 179.45 2j03 n LYS 7 N 1.57 0.35 -1.88 4.56 5.02 -1.26 -4.94 118.16 121.58 2j03 n LYS 7 Ca -0.16 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.71 2j03 n LYS 7 Cb 0.54 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.52 2j03 n LYS 7 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2j03 s GLN 8 N -2.46 3.11 0.00 1.97 -0.21 -1.26 -4.97 119.66 115.84 2j03 s GLN 8 Ca 0.00 1.47 0.00 0.00 0.02 0.00 0.00 55.36 56.85 2j03 s GLN 8 Cb 0.00 -4.29 0.00 0.00 1.00 0.00 0.00 33.01 29.72 2j03 s GLN 8 CO 0.00 -2.12 0.00 0.28 -2.12 0.00 0.00 175.29 171.33 2j03 n VAL 9 N 7.52 0.00 -3.55 1.09 0.31 -1.26 -5.08 118.33 117.36 2j03 n VAL 9 Ca 0.25 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.34 2j03 n VAL 9 Cb 0.48 -1.57 -0.15 0.00 -0.91 0.00 0.00 33.84 31.68 2j03 n VAL 9 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2j03 s GLU 10 N -0.06 0.15 -0.68 5.55 2.56 -1.26 -5.10 118.70 119.87 2j03 s GLU 10 Ca 0.00 -0.17 -0.37 0.00 0.00 0.00 0.00 54.97 54.43 2j03 s GLU 10 Cb 0.00 -1.39 -0.18 0.00 2.00 0.00 0.00 34.13 34.56 2j03 s GLU 10 CO 0.00 -0.81 2.39 -0.35 -0.56 0.00 0.00 175.26 175.92 2j03 n PRO 11 N 5.28 0.21 -3.25 4.30 -0.04 -1.26 -4.87 135.00 135.37 2j03 n PRO 11 Ca -0.06 0.04 -0.46 0.00 -0.04 0.00 0.00 63.50 62.98 2j03 n PRO 11 Cb 0.47 -1.75 -0.03 0.00 -0.04 0.00 0.00 33.50 32.14 2j03 n PRO 11 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2j03 s ARG 12 N 7.36 3.31 0.04 0.54 3.52 -1.26 -4.93 118.95 127.52 2j03 s ARG 12 Ca 1.24 -1.97 -0.01 0.00 -0.13 0.00 0.00 55.73 54.86 2j03 s ARG 12 Cb -1.23 -4.40 0.01 0.00 -1.56 0.00 0.00 34.95 27.76 2j03 s ARG 12 CO 0.54 -1.39 0.02 0.91 -0.81 0.00 0.00 175.30 174.57 2j03 n TRP 13 N 5.01 -1.40 -3.64 5.12 7.02 -1.26 -4.25 117.44 124.04 2j03 n TRP 13 Ca 0.02 -0.01 -0.04 0.00 -1.02 0.00 0.00 57.50 56.45 2j03 n TRP 13 Cb 0.44 -0.04 -0.07 0.00 -2.42 0.00 0.00 31.31 29.23 2j03 n TRP 13 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 2j03 s VAL 14 N -0.72 0.00 -0.12 -0.99 1.01 -1.26 -4.62 120.40 113.70 2j03 s VAL 14 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 61.98 61.95 2j03 s VAL 14 Cb -0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 2j03 s VAL 14 CO 0.01 0.00 0.06 -0.22 0.00 0.00 0.00 175.10 174.96 2j03 s LEU 15 N 1.29 3.92 0.01 3.92 1.98 -1.26 0.11 118.68 128.65 2j03 s LEU 15 Ca -0.08 0.25 -0.29 0.00 -2.89 0.00 0.00 54.13 51.13 2j03 s LEU 15 Cb -0.04 -1.94 0.07 0.00 0.66 0.00 0.00 46.19 44.94 2j03 s LEU 15 CO -0.15 0.35 0.66 -0.51 -1.89 0.00 0.00 176.35 174.81 2j03 s ILE 16 N -0.70 0.00 -0.30 6.68 2.07 0.50 -1.29 121.20 128.15 2j03 s ILE 16 Ca 0.12 -0.00 -0.17 0.00 -1.41 0.00 0.00 60.65 59.19 2j03 s ILE 16 Cb -0.12 -1.00 0.18 0.00 0.13 0.00 0.00 42.46 41.65 2j03 s ILE 16 CO 0.02 -0.00 1.12 -0.62 -1.91 0.00 0.00 174.94 173.56 2j03 s ASP 17 N -1.66 -0.35 -0.41 4.50 -1.08 -1.26 -1.03 116.67 115.37 2j03 s ASP 17 Ca -0.07 0.48 0.11 0.00 -0.52 0.00 0.00 52.55 52.54 2j03 s ASP 17 Cb -0.00 1.39 0.38 0.00 -1.46 0.00 0.00 42.92 43.23 2j03 s ASP 17 CO 0.03 -0.07 0.89 0.00 0.52 0.00 0.00 175.17 176.54 2j03 n ALA 18 N 4.76 3.39 0.00 3.66 0.00 -1.26 -4.90 120.51 126.16 2j03 n ALA 18 Ca -0.08 -3.76 0.00 0.00 0.00 0.00 0.00 53.44 49.60 2j03 n ALA 18 Cb 0.54 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.16 2j03 n ALA 18 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2j03 n GLU 19 N -0.03 0.00 0.00 0.00 -0.00 -1.26 0.25 120.64 119.59 2j03 n GLU 19 Ca 0.24 0.00 0.13 0.00 -0.00 0.00 0.00 57.16 57.54 2j03 n GLU 19 Cb 0.64 -1.47 0.40 0.00 -0.00 0.00 0.00 31.44 31.01 2j03 n GLU 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2j03 n GLY 20 N -0.81 0.25 4.01 -1.84 0.00 -1.26 -3.42 105.19 102.12 2j03 n GLY 20 Ca 0.00 -0.51 -0.18 0.00 0.00 0.00 0.00 46.02 45.33 2j03 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j03 s LYS 21 N -2.02 2.67 -0.27 1.61 -0.14 0.68 -4.70 119.74 117.58 2j03 s LYS 21 Ca 0.35 -1.23 -0.16 0.00 -1.36 0.00 0.00 55.97 53.57 2j03 s LYS 21 Cb 0.21 -2.69 -0.03 0.00 -1.68 0.00 0.00 37.83 33.63 2j03 s LYS 21 CO 0.34 -0.46 0.43 0.99 -0.76 0.00 0.00 175.35 175.88 2j03 s THR 22 N -2.48 5.13 0.53 2.17 2.01 -1.26 -1.94 115.64 119.80 2j03 s THR 22 Ca 0.57 0.70 -0.22 0.00 0.31 0.00 0.00 61.69 63.05 2j03 s THR 22 Cb -0.09 -3.75 -0.06 0.00 0.01 0.00 0.00 72.50 68.61 2j03 s THR 22 CO 0.35 0.13 1.24 0.00 -0.69 0.00 0.00 174.62 175.65 2j03 n LEU 23 N 5.41 4.76 0.00 4.42 -0.00 -1.25 -1.45 117.00 128.89 2j03 n LEU 23 Ca -0.07 0.96 0.00 0.00 -0.00 0.00 0.00 56.01 56.91 2j03 n LEU 23 Cb 0.50 -1.51 0.00 0.00 -0.00 0.00 0.00 43.42 42.41 2j03 n LEU 23 CO 0.38 -0.92 0.00 0.61 -0.00 0.00 0.00 177.39 177.46 2j03 n GLY 24 N 0.91 1.93 0.39 1.47 0.00 -1.26 -4.50 105.19 104.12 2j03 n GLY 24 Ca 0.11 -0.64 0.21 0.00 0.00 0.00 0.00 46.02 45.70 2j03 n GLY 24 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2j03 h ARG 25 N 0.00 0.00 0.00 1.61 2.47 -1.77 0.20 114.38 116.89 2j03 h ARG 25 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2j03 h ARG 25 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2j03 h ARG 25 CO 0.00 0.00 -0.52 -0.11 0.56 0.00 0.00 179.97 179.90 2j03 n LEU 26 N -4.10 1.78 -0.28 3.04 7.94 -0.53 -4.29 117.00 120.55 2j03 n LEU 26 Ca 0.09 0.62 0.02 0.00 -1.11 0.00 0.00 56.01 55.63 2j03 n LEU 26 Cb 0.63 -0.86 0.07 0.00 0.53 0.00 0.00 43.42 43.79 2j03 n LEU 26 CO 0.33 -0.47 0.47 0.00 -1.11 0.00 0.00 177.39 176.62 2j03 n ALA 27 N -3.65 0.05 -0.15 1.96 0.00 -0.78 -0.61 120.51 117.33 2j03 n ALA 27 Ca -0.07 0.80 0.00 0.00 0.00 0.00 0.00 53.44 54.17 2j03 n ALA 27 Cb 0.27 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.30 2j03 n ALA 27 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2j03 n THR 28 N -5.18 0.00 -0.31 0.00 5.66 0.64 0.56 114.28 115.65 2j03 n THR 28 Ca 0.10 1.43 0.31 0.00 -3.05 0.00 0.00 64.05 62.84 2j03 n THR 28 Cb 0.34 -2.12 0.57 0.00 -1.55 0.00 0.00 70.33 67.57 2j03 n THR 28 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2j03 n LYS 29 N -2.34 -0.06 0.11 1.09 5.02 0.22 0.21 118.16 122.41 2j03 n LYS 29 Ca 0.00 1.32 -0.13 0.00 -2.02 0.00 0.00 58.31 57.47 2j03 n LYS 29 Cb 0.00 -2.37 -0.08 0.00 -0.02 0.00 0.00 35.03 32.55 2j03 n LYS 29 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2j03 h ILE 30 N 0.00 0.89 0.05 -0.18 2.04 0.41 0.20 117.51 120.92 2j03 h ILE 30 Ca 0.82 -0.46 0.02 0.00 1.00 0.00 0.00 64.86 66.23 2j03 h ILE 30 Cb 2.18 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 39.41 2j03 h ILE 30 CO -0.72 0.11 -0.14 0.00 0.00 0.00 0.00 178.15 177.40 2j03 h ALA 31 N 0.26 -0.20 -0.91 1.87 0.00 0.79 0.69 119.26 121.76 2j03 h ALA 31 Ca -0.03 -0.01 0.26 0.00 0.00 0.00 0.00 54.91 55.13 2j03 h ALA 31 Cb 0.37 0.23 -0.15 0.00 0.00 0.00 0.00 17.79 18.24 2j03 h ALA 31 CO 0.04 -0.64 0.24 1.15 0.00 0.00 0.00 179.25 180.04 2j03 h THR 32 N -0.25 0.24 0.58 0.00 2.02 0.77 0.33 112.91 116.60 2j03 h THR 32 Ca 0.03 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 2j03 h THR 32 Cb 0.29 0.06 0.01 0.00 -1.74 0.00 0.00 68.15 66.77 2j03 h THR 32 CO -0.10 0.03 -0.28 0.25 0.37 0.00 0.00 175.52 175.79 2j03 h LEU 33 N 0.17 -0.66 0.00 2.58 5.85 0.12 -3.24 115.31 120.13 2j03 h LEU 33 Ca 0.59 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.27 2j03 h LEU 33 Cb 1.24 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.44 2j03 h LEU 33 CO -0.70 -0.33 0.00 0.18 -0.34 0.00 0.00 178.44 177.25 2j03 n LEU 34 N -5.35 0.00 -4.76 2.25 7.99 0.22 -3.69 117.00 113.66 2j03 n LEU 34 Ca -0.12 0.24 -0.41 0.00 -0.01 0.00 0.00 56.01 55.72 2j03 n LEU 34 Cb 0.34 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.63 2j03 n LEU 34 CO 0.32 0.00 0.97 0.00 -1.51 0.00 0.00 177.39 177.17 2j03 s ARG 35 N -0.99 4.38 -0.76 3.23 1.70 -1.08 -2.68 118.95 122.76 2j03 s ARG 35 Ca 0.00 2.15 -0.25 0.00 -0.47 0.00 0.00 55.73 57.16 2j03 s ARG 35 Cb 0.00 -3.11 -0.21 0.00 -0.57 0.00 0.00 34.95 31.07 2j03 s ARG 35 CO 0.00 -0.18 1.88 0.41 -1.08 0.00 0.00 175.30 176.33 2j03 n GLY 36 N 1.23 1.16 0.06 3.88 0.00 -0.46 -4.47 105.19 106.59 2j03 n GLY 36 Ca 0.02 -0.81 0.11 0.00 0.00 0.00 0.00 46.02 45.34 2j03 n GLY 36 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2j03 n LYS 37 N 7.77 0.45 -0.09 1.61 3.00 -1.22 -4.28 118.16 125.40 2j03 n LYS 37 Ca 0.46 0.01 -0.22 0.00 -0.00 0.00 0.00 58.31 58.56 2j03 n LYS 37 Cb 0.44 -1.66 -0.12 0.00 0.00 0.00 0.00 35.03 33.68 2j03 n LYS 37 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 2j03 n HIS 38 N -2.25 0.55 -2.04 5.64 1.44 -1.26 -4.84 115.22 112.46 2j03 n HIS 38 Ca 0.00 0.16 -0.42 0.00 -2.01 0.00 0.00 57.72 55.45 2j03 n HIS 38 Cb 0.49 -1.07 -0.03 0.00 0.12 0.00 0.00 29.99 29.51 2j03 n HIS 38 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 2j03 s ARG 39 N -2.50 3.20 0.00 -1.40 3.00 -1.26 -4.88 118.95 115.11 2j03 s ARG 39 Ca -0.31 1.22 0.00 0.00 -1.00 0.00 0.00 55.73 55.64 2j03 s ARG 39 Cb 0.09 -4.22 0.00 0.00 0.00 0.00 0.00 34.95 30.82 2j03 s ARG 39 CO 0.63 -2.02 0.00 -0.35 0.00 0.00 0.00 175.30 173.55 2j03 n PRO 40 N 8.55 0.00 -3.06 5.12 -0.04 -1.26 -3.75 135.00 140.56 2j03 n PRO 40 Ca 0.22 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.44 2j03 n PRO 40 Cb 0.48 -1.36 -0.04 0.00 -0.04 0.00 0.00 33.50 32.54 2j03 n PRO 40 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2j03 n ASP 41 N 1.01 3.18 -4.76 3.54 9.92 -1.26 -5.09 116.55 123.09 2j03 n ASP 41 Ca 0.00 -3.43 -0.34 0.00 -0.53 0.00 0.00 54.79 50.49 2j03 n ASP 41 Cb 0.00 -0.59 0.03 0.00 -0.64 0.00 0.00 41.12 39.92 2j03 n ASP 41 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 2j03 s TRP 42 N -2.99 2.52 -0.34 1.24 -0.00 -1.25 -4.93 118.94 113.19 2j03 s TRP 42 Ca 0.45 1.55 -0.07 0.00 -0.00 0.00 0.00 56.10 58.03 2j03 s TRP 42 Cb 0.28 -3.31 0.20 0.00 -0.00 0.00 0.00 33.47 30.64 2j03 s TRP 42 CO -0.11 -1.87 1.05 0.99 -0.00 0.00 0.00 176.95 177.01 2j03 s THR 43 N -1.94 -0.26 0.24 5.86 2.01 -1.26 -4.90 115.64 115.39 2j03 s THR 43 Ca 0.72 -0.14 0.21 0.00 0.31 0.00 0.00 61.69 62.78 2j03 s THR 43 Cb -0.25 0.00 0.21 0.00 0.01 0.00 0.00 72.50 72.47 2j03 s THR 43 CO 0.35 0.00 1.58 1.55 -0.69 0.00 0.00 174.62 177.41 2j03 h PRO 44 N 4.81 0.00 -0.01 4.92 0.13 -1.96 0.43 132.00 140.32 2j03 h PRO 44 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2j03 h PRO 44 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2j03 h PRO 44 CO -0.09 0.00 -0.65 0.27 -0.23 0.00 0.00 178.00 177.31 2j03 n ASN 45 N -2.39 1.59 0.03 1.44 0.23 -1.26 -4.67 115.26 110.23 2j03 n ASN 45 Ca -0.01 -1.28 -0.02 0.00 -0.53 0.00 0.00 54.58 52.74 2j03 n ASN 45 Cb 0.31 0.63 -0.01 0.00 -2.08 0.00 0.00 39.78 38.63 2j03 n ASN 45 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 2j03 h VAL 46 N 1.49 0.00 0.00 3.53 3.04 -1.32 -3.50 116.25 119.49 2j03 h VAL 46 Ca 0.00 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 2j03 h VAL 46 Cb 0.65 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 29.93 2j03 h VAL 46 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.56 2j03 n ALA 47 N -2.37 0.00 -3.17 3.17 0.00 -1.26 -5.13 120.51 111.75 2j03 n ALA 47 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.11 2j03 n ALA 47 Cb 0.05 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.33 2j03 n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j03 s MET 48 N 0.49 2.93 0.00 0.00 0.23 -1.26 -5.06 119.30 116.63 2j03 s MET 48 Ca 0.00 -0.86 0.00 0.00 -1.03 0.00 0.00 55.69 53.80 2j03 s MET 48 Cb 0.00 -2.24 0.00 0.00 -1.53 0.00 0.00 34.83 31.06 2j03 s MET 48 CO 0.00 0.20 0.00 0.41 -2.03 0.00 0.00 175.02 173.60 2j03 n GLY 49 N 3.46 -0.08 3.71 3.16 0.00 -1.26 -1.35 105.19 112.83 2j03 n GLY 49 Ca -0.19 -1.00 -0.37 0.00 0.00 0.00 0.00 46.02 44.45 2j03 n GLY 49 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2j03 n ASP 50 N 0.00 1.93 -2.06 1.61 8.00 -1.09 -4.67 116.55 120.27 2j03 n ASP 50 Ca 0.00 0.83 -0.22 0.00 0.71 0.00 0.00 54.79 56.11 2j03 n ASP 50 Cb 0.00 -1.54 0.13 0.00 -0.02 0.00 0.00 41.12 39.70 2j03 n ASP 50 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2j03 n PHE 51 N -1.86 2.60 0.00 1.24 3.01 -1.26 -4.60 117.46 116.60 2j03 n PHE 51 Ca 0.15 -1.84 0.00 0.00 1.01 0.00 0.00 57.45 56.77 2j03 n PHE 51 Cb 0.48 -0.93 0.00 0.00 -0.01 0.00 0.00 39.48 39.02 2j03 n PHE 51 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 2j03 n VAL 52 N -0.81 0.00 -4.05 -4.37 0.31 -1.26 -4.44 118.33 103.72 2j03 n VAL 52 Ca 0.51 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.59 2j03 n VAL 52 Cb 1.32 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 34.08 2j03 n VAL 52 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2j03 s VAL 53 N 0.00 0.82 -0.15 2.52 1.01 0.30 -1.67 120.40 123.22 2j03 s VAL 53 Ca 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 2j03 s VAL 53 Cb 0.00 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 2j03 s VAL 53 CO 0.00 0.32 -0.06 -0.69 0.00 0.00 0.00 175.10 174.66 2j03 s VAL 54 N 1.43 3.63 0.49 2.92 1.01 -0.69 0.19 120.40 129.38 2j03 s VAL 54 Ca -0.02 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.54 2j03 s VAL 54 Cb -0.13 -2.58 0.03 0.00 0.00 0.00 0.00 36.38 33.70 2j03 s VAL 54 CO -0.04 0.50 0.24 0.52 0.00 0.00 0.00 175.10 176.32 2j03 n VAL 55 N 3.57 0.00 -4.00 2.92 0.31 -0.20 -1.32 118.33 119.61 2j03 n VAL 55 Ca -0.18 -2.09 -0.43 0.00 -0.01 0.00 0.00 64.34 61.64 2j03 n VAL 55 Cb 0.52 0.13 0.02 0.00 -0.91 0.00 0.00 33.84 33.60 2j03 n VAL 55 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2j03 n ASN 56 N -1.64 -4.37 -3.02 4.52 4.05 -1.26 -4.61 115.26 108.94 2j03 n ASN 56 Ca -0.09 -1.23 -0.01 0.00 0.45 0.00 0.00 54.58 53.70 2j03 n ASN 56 Cb 0.58 -1.83 0.01 0.00 1.23 0.00 0.00 39.78 39.77 2j03 n ASN 56 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2j03 n ALA 57 N -4.66 -0.20 0.00 5.20 0.00 -0.80 -4.62 120.51 115.43 2j03 n ALA 57 Ca -0.13 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2j03 n ALA 57 Cb 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2j03 n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2j03 n ASP 58 N -2.46 0.00 0.00 0.00 5.75 -1.26 -4.56 116.55 114.02 2j03 n ASP 58 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 2j03 n ASP 58 Cb 0.02 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 2j03 n ASP 58 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2j03 n LYS 59 N 4.23 0.00 -2.35 0.11 4.76 -1.26 -4.69 118.16 118.96 2j03 n LYS 59 Ca 0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 2j03 n LYS 59 Cb 0.00 -4.34 -0.03 0.00 -1.84 0.00 0.00 35.03 28.82 2j03 n LYS 59 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2j03 s ILE 60 N -1.10 3.93 1.09 -0.18 1.01 -1.22 -4.46 121.20 120.27 2j03 s ILE 60 Ca 0.00 1.33 -0.16 0.00 0.00 0.00 0.00 60.65 61.82 2j03 s ILE 60 Cb 0.00 -3.85 0.24 0.00 0.01 0.00 0.00 42.46 38.85 2j03 s ILE 60 CO 0.00 0.04 1.13 -0.13 0.00 0.00 0.00 174.94 175.98 2j03 s ARG 61 N 1.87 -0.36 -0.41 2.79 1.81 -0.82 -4.94 118.95 118.91 2j03 s ARG 61 Ca 0.60 0.08 0.05 0.00 -1.72 0.00 0.00 55.73 54.74 2j03 s ARG 61 Cb -0.29 -1.68 0.32 0.00 -0.45 0.00 0.00 34.95 32.85 2j03 s ARG 61 CO 0.26 -3.17 1.23 1.55 -0.68 0.00 0.00 175.30 174.50 2j03 n VAL 62 N -4.40 0.00 0.00 3.52 3.14 -1.26 -3.86 118.33 115.47 2j03 n VAL 62 Ca 0.10 -1.17 0.00 0.00 -2.96 0.00 0.00 64.34 60.31 2j03 n VAL 62 Cb 0.59 1.33 0.00 0.00 -1.06 0.00 0.00 33.84 34.70 2j03 n VAL 62 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2j03 n THR 63 N 0.39 0.00 -0.29 1.55 -2.24 -1.26 -4.65 114.28 107.78 2j03 n THR 63 Ca 0.01 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.78 2j03 n THR 63 Cb 0.72 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.97 2j03 n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2j03 n GLY 64 N 0.00 -0.38 3.70 3.38 0.00 -1.26 -4.82 105.19 105.81 2j03 n GLY 64 Ca 0.00 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 2j03 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j03 s LYS 65 N -1.13 4.35 -0.40 1.61 -0.14 -1.26 -4.93 119.74 117.84 2j03 s LYS 65 Ca 0.03 0.76 0.05 0.00 -1.36 0.00 0.00 55.97 55.45 2j03 s LYS 65 Cb -0.00 -3.49 0.43 0.00 -1.68 0.00 0.00 37.83 33.09 2j03 s LYS 65 CO 0.02 -0.03 1.18 1.63 -0.76 0.00 0.00 175.35 177.39 2j03 n LYS 66 N 4.20 3.47 -2.47 1.68 4.76 -1.26 -4.52 118.16 124.02 2j03 n LYS 66 Ca -0.02 -4.35 -0.43 0.00 -2.87 0.00 0.00 58.31 50.65 2j03 n LYS 66 Cb 0.51 -2.26 0.00 0.00 -1.84 0.00 0.00 35.03 31.44 2j03 n LYS 66 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2j03 n LEU 67 N -0.57 6.16 0.00 -0.35 4.77 -1.26 -3.89 117.00 121.87 2j03 n LEU 67 Ca 0.42 -4.50 0.00 0.00 -0.03 0.00 0.00 56.01 51.89 2j03 n LEU 67 Cb 0.76 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 2j03 n LEU 67 CO 0.37 1.10 0.00 -0.62 -1.33 0.00 0.00 177.39 176.90 2j03 n GLU 68 N 4.85 0.00 0.07 3.23 1.02 -1.26 -4.86 120.64 123.69 2j03 n GLU 68 Ca 0.41 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.53 2j03 n GLU 68 Cb 0.39 -2.43 -0.06 0.00 -0.02 0.00 0.00 31.44 29.32 2j03 n GLU 68 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2j03 h GLN 69 N 2.27 0.00 -4.36 3.49 1.08 -1.79 -3.41 115.11 112.39 2j03 h GLN 69 Ca 0.00 0.00 -0.73 0.00 -1.45 0.00 0.00 58.65 56.47 2j03 h GLN 69 Cb 0.00 0.00 -0.23 0.00 -0.05 0.00 0.00 27.48 27.20 2j03 h GLN 69 CO 0.00 0.49 -0.37 0.21 -0.95 0.00 0.00 178.83 178.21 2j03 s LYS 70 N -2.87 2.90 0.00 1.46 2.47 -1.26 -4.95 119.74 117.50 2j03 s LYS 70 Ca -0.00 -1.33 0.00 0.00 -1.56 0.00 0.00 55.97 53.08 2j03 s LYS 70 Cb 0.08 -4.04 -0.04 0.00 -1.46 0.00 0.00 37.83 32.38 2j03 s LYS 70 CO 0.79 -0.98 0.07 0.42 0.16 0.00 0.00 175.35 175.81 2j03 s ILE 71 N 1.60 4.60 -0.69 5.43 1.01 -1.26 -1.25 121.20 130.64 2j03 s ILE 71 Ca 0.04 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.23 2j03 s ILE 71 Cb -0.23 -3.10 0.17 0.00 0.01 0.00 0.00 42.46 39.30 2j03 s ILE 71 CO 0.06 0.34 0.49 -0.31 0.00 0.00 0.00 174.94 175.52 2j03 s TYR 72 N -1.19 3.52 0.13 3.97 1.51 1.11 -4.88 117.35 121.53 2j03 s TYR 72 Ca 0.23 -3.13 -0.18 0.00 -1.01 0.00 0.00 57.07 52.98 2j03 s TYR 72 Cb -0.12 -2.94 -0.04 0.00 -0.11 0.00 0.00 41.96 38.75 2j03 s TYR 72 CO 0.14 -0.69 1.79 1.15 -1.11 0.00 0.00 175.55 176.83 2j03 h THR 73 N 4.74 1.06 0.00 -0.71 2.02 -1.81 -2.07 112.91 116.14 2j03 h THR 73 Ca 0.07 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.13 2j03 h THR 73 Cb 0.83 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 2j03 h THR 73 CO 0.74 0.06 0.00 0.54 0.37 0.00 0.00 175.52 177.23 2j03 n ARG 74 N -4.91 0.00 -3.28 6.66 5.12 -1.26 -4.31 116.66 114.68 2j03 n ARG 74 Ca -0.02 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.51 2j03 n ARG 74 Cb 0.03 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.26 2j03 n ARG 74 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2j03 s TYR 75 N 0.00 3.32 -0.36 -1.55 1.51 -1.25 -5.02 117.35 114.00 2j03 s TYR 75 Ca 0.00 0.66 0.01 0.00 -1.01 0.00 0.00 57.07 56.73 2j03 s TYR 75 Cb 0.00 -2.66 0.11 0.00 -0.11 0.00 0.00 41.96 39.31 2j03 s TYR 75 CO 0.00 -0.17 0.15 0.45 -1.11 0.00 0.00 175.55 174.87 2j03 s SER 76 N 1.33 3.93 0.00 2.29 0.15 -1.26 -2.24 113.70 117.90 2j03 s SER 76 Ca 0.21 -2.05 0.00 0.00 0.70 0.00 0.00 55.95 54.81 2j03 s SER 76 Cb -0.15 -0.98 0.00 0.00 -1.71 0.00 0.00 66.02 63.18 2j03 s SER 76 CO 0.09 -0.36 0.30 0.61 1.20 0.00 0.00 173.24 175.09 2j03 n GLY 77 N 4.31 -2.54 0.00 9.45 0.00 -1.03 -5.00 105.19 110.38 2j03 n GLY 77 Ca 0.03 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2j03 n GLY 77 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2j03 n TYR 78 N -0.44 0.00 0.11 1.61 0.18 -1.26 -5.06 117.16 112.30 2j03 n TYR 78 Ca 0.00 0.00 -0.19 0.00 1.88 0.00 0.00 57.90 59.59 2j03 n TYR 78 Cb 0.00 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 38.81 2j03 n TYR 78 CO 0.00 0.00 0.00 -1.00 -2.08 0.00 0.00 176.86 173.78 2j03 h PRO 79 N 0.00 0.35 0.00 -3.48 0.13 -2.06 -3.45 132.00 123.49 2j03 h PRO 79 Ca 0.00 -0.61 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 2j03 h PRO 79 Cb 0.00 0.23 0.00 0.00 0.13 0.00 0.00 31.00 31.36 2j03 h PRO 79 CO 0.00 1.27 0.00 0.41 -0.23 0.00 0.00 178.00 179.45 2j03 n GLY 80 N 1.63 0.35 3.32 1.56 0.00 -1.26 -5.15 105.19 105.64 2j03 n GLY 80 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 2j03 n GLY 80 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2j03 s GLY 81 N 0.00 1.48 -0.90 -0.02 0.00 -1.26 -5.02 107.32 101.59 2j03 s GLY 81 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.79 2j03 s GLY 81 CO 0.00 -0.19 1.40 1.47 0.00 0.00 0.00 173.10 175.77 2j03 n LEU 82 N 3.60 6.00 -3.30 0.66 -0.00 -1.26 -2.46 117.00 120.24 2j03 n LEU 82 Ca -0.18 -5.40 -0.47 0.00 -0.00 0.00 0.00 56.01 49.95 2j03 n LEU 82 Cb 0.53 -1.01 -0.08 0.00 -0.00 0.00 0.00 43.42 42.86 2j03 n LEU 82 CO 0.30 2.00 1.00 1.17 -0.00 0.00 0.00 177.39 181.85 2j03 n LYS 83 N 0.46 0.00 -3.99 1.47 4.81 -0.95 -4.85 118.16 115.11 2j03 n LYS 83 Ca 0.35 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.49 2j03 n LYS 83 Cb 0.33 -1.09 -0.05 0.00 0.02 0.00 0.00 35.03 34.24 2j03 n LYS 83 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2j03 s LYS 84 N 3.02 3.14 -0.04 1.64 1.02 -1.26 -3.90 119.74 123.36 2j03 s LYS 84 Ca 0.80 -0.59 -0.01 0.00 0.02 0.00 0.00 55.97 56.19 2j03 s LYS 84 Cb -1.09 -2.86 0.03 0.00 -0.52 0.00 0.00 37.83 33.40 2j03 s LYS 84 CO 0.55 0.58 0.07 0.42 -0.92 0.00 0.00 175.35 176.05 2j03 s ILE 85 N -1.47 -0.08 0.58 2.17 1.01 -0.78 -4.89 121.20 117.74 2j03 s ILE 85 Ca 0.32 0.25 -0.09 0.00 0.00 0.00 0.00 60.65 61.13 2j03 s ILE 85 Cb -0.12 -0.15 -0.03 0.00 0.01 0.00 0.00 42.46 42.16 2j03 s ILE 85 CO 0.25 0.10 0.95 -2.16 0.00 0.00 0.00 174.94 174.08 2j03 s PRO 86 N 1.34 3.51 0.06 2.79 0.04 -1.26 0.36 135.00 141.83 2j03 s PRO 86 Ca -0.06 0.52 -0.16 0.00 0.04 0.00 0.00 61.00 61.34 2j03 s PRO 86 Cb -0.12 -2.18 -0.06 0.00 0.04 0.00 0.00 34.50 32.18 2j03 s PRO 86 CO -0.04 -0.49 1.26 -0.07 0.04 0.00 0.00 177.00 177.70 2j03 h LEU 87 N -0.16 -0.82 -0.32 -3.56 3.38 -1.38 -2.62 115.31 109.82 2j03 h LEU 87 Ca -0.45 0.10 0.07 0.00 0.09 0.00 0.00 57.88 57.69 2j03 h LEU 87 Cb 1.20 0.32 -0.06 0.00 0.09 0.00 0.00 40.66 42.21 2j03 h LEU 87 CO 0.62 -0.23 -0.07 -0.62 0.09 0.00 0.00 178.44 178.23 2j03 n GLU 88 N -3.93 -0.03 0.00 1.13 1.02 -1.26 -0.26 120.64 117.31 2j03 n GLU 88 Ca -0.03 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 2j03 n GLU 88 Cb 0.18 -0.76 0.00 0.00 -0.02 0.00 0.00 31.44 30.84 2j03 n GLU 88 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2j03 n LYS 89 N -4.48 0.00 -0.31 3.49 4.76 -0.99 -1.44 118.16 119.19 2j03 n LYS 89 Ca 0.06 0.58 0.18 0.00 -2.87 0.00 0.00 58.31 56.25 2j03 n LYS 89 Cb 0.18 -1.43 0.36 0.00 -1.84 0.00 0.00 35.03 32.30 2j03 n LYS 89 CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 2j03 h MET 90 N 0.00 0.21 0.36 1.97 2.86 -0.71 0.59 114.93 120.21 2j03 h MET 90 Ca 0.00 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 2j03 h MET 90 Cb 0.00 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 2j03 h MET 90 CO 0.00 0.14 -0.43 -0.07 1.06 0.00 0.00 176.91 177.61 2j03 h LEU 91 N 0.21 -1.20 0.00 1.22 3.38 -1.18 0.27 115.31 118.02 2j03 h LEU 91 Ca 0.63 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.70 2j03 h LEU 91 Cb 1.36 0.41 0.00 0.00 0.09 0.00 0.00 40.66 42.52 2j03 h LEU 91 CO -0.67 -0.54 0.00 0.00 0.09 0.00 0.00 178.44 177.32 2j03 n ALA 92 N -2.75 -0.16 -1.85 1.53 0.00 0.06 -3.42 120.51 113.93 2j03 n ALA 92 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.92 2j03 n ALA 92 Cb 0.38 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.80 2j03 n ALA 92 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2j03 s THR 93 N -1.56 3.31 0.00 0.00 -1.32 0.19 -4.40 115.64 111.86 2j03 s THR 93 Ca 0.00 0.33 0.00 0.00 -1.21 0.00 0.00 61.69 60.81 2j03 s THR 93 Cb 0.00 -3.35 0.00 0.00 -1.51 0.00 0.00 72.50 67.64 2j03 s THR 93 CO 0.00 -0.18 0.00 0.00 -2.21 0.00 0.00 174.62 172.23 2j03 n HIS 94 N 9.86 0.00 0.00 9.09 -0.00 -1.24 -3.90 115.22 129.04 2j03 n HIS 94 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.96 2j03 n HIS 94 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.44 2j03 n HIS 94 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 2j03 n PRO 95 N 1.07 0.00 0.00 -1.40 -0.04 0.96 -4.61 135.00 130.98 2j03 n PRO 95 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2j03 n PRO 95 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2j03 n PRO 95 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2j03 n GLU 96 N 0.00 0.00 -0.33 0.54 0.00 -1.26 -3.82 120.64 115.77 2j03 n GLU 96 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.20 2j03 n GLU 96 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 31.44 31.55 2j03 n GLU 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2j03 h ARG 97 N 0.00 -0.00 -0.42 3.44 3.08 -1.93 0.12 114.38 118.66 2j03 h ARG 97 Ca 0.00 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 2j03 h ARG 97 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 29.98 2j03 h ARG 97 CO 0.00 -0.00 -0.16 0.28 -1.07 0.00 0.00 179.97 179.02 2j03 n VAL 98 N -5.57 -0.22 -0.00 2.04 0.31 -1.25 0.18 118.33 113.82 2j03 n VAL 98 Ca 0.14 0.98 -0.17 0.00 -0.01 0.00 0.00 64.34 65.28 2j03 n VAL 98 Cb 0.45 -1.30 -0.12 0.00 -0.91 0.00 0.00 33.84 31.96 2j03 n VAL 98 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2j03 h LEU 99 N 0.00 0.38 -0.57 7.52 7.12 -1.13 -3.19 115.31 125.44 2j03 h LEU 99 Ca 0.15 -0.83 0.06 0.00 0.13 0.00 0.00 57.88 57.39 2j03 h LEU 99 Cb 0.26 -0.12 -0.09 0.00 -0.53 0.00 0.00 40.66 40.18 2j03 h LEU 99 CO -0.42 1.16 -0.50 -0.33 -0.13 0.00 0.00 178.44 178.22 2j03 h GLU 100 N -0.36 -0.20 -0.60 1.25 5.08 0.26 0.43 114.58 120.44 2j03 h GLU 100 Ca -0.07 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.42 2j03 h GLU 100 Cb 1.27 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 30.47 2j03 h GLU 100 CO 0.10 -0.14 0.07 0.45 -1.00 0.00 0.00 179.01 178.49 2j03 h HIS 101 N -0.21 0.09 -0.74 4.33 3.86 -0.76 0.52 115.15 122.23 2j03 h HIS 101 Ca 0.09 0.04 0.22 0.00 -1.16 0.00 0.00 60.37 59.56 2j03 h HIS 101 Cb 0.46 0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.95 2j03 h HIS 101 CO -0.84 -0.09 0.55 0.00 0.86 0.00 0.00 177.93 178.41 2j03 h ALA 102 N 1.51 2.69 0.12 2.45 0.00 -0.94 -1.61 119.26 123.48 2j03 h ALA 102 Ca 0.31 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.97 2j03 h ALA 102 Cb 0.49 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.34 2j03 h ALA 102 CO -0.45 -0.93 -1.07 0.28 0.00 0.00 0.00 179.25 177.07 2j03 h VAL 103 N 0.00 1.29 -0.24 0.00 2.07 0.11 -3.37 116.25 116.11 2j03 h VAL 103 Ca 0.35 -2.47 0.06 0.00 0.82 0.00 0.00 66.70 65.47 2j03 h VAL 103 Cb 1.45 2.97 -0.08 0.00 -1.52 0.00 0.00 31.29 34.11 2j03 h VAL 103 CO -0.00 0.70 -0.35 0.50 0.02 0.00 0.00 177.57 178.43 2j03 h LYS 104 N -0.37 -0.35 -1.17 1.57 3.64 -0.29 -0.27 116.57 119.32 2j03 h LYS 104 Ca -0.22 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 2j03 h LYS 104 Cb 1.67 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.57 2j03 h LYS 104 CO 0.10 -0.23 0.00 0.41 -2.27 0.00 0.00 179.45 177.46 2j03 n GLY 105 N -1.42 0.64 0.00 5.01 0.00 -1.06 -1.05 105.19 107.31 2j03 n GLY 105 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2j03 n GLY 105 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2j03 n MET 106 N 0.64 2.60 -3.17 1.61 2.81 -0.16 -5.05 117.12 116.40 2j03 n MET 106 Ca 0.00 0.00 -0.39 0.00 -1.81 0.00 0.00 57.70 55.50 2j03 n MET 106 Cb 0.14 -0.63 -0.06 0.00 -0.71 0.00 0.00 33.22 31.97 2j03 n MET 106 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2j03 s LEU 107 N -1.30 4.49 0.62 4.03 1.43 -0.21 -4.97 118.68 122.77 2j03 s LEU 107 Ca 0.00 1.31 -0.17 0.00 -1.03 0.00 0.00 54.13 54.23 2j03 s LEU 107 Cb 0.00 -3.00 -0.08 0.00 0.03 0.00 0.00 46.19 43.13 2j03 s LEU 107 CO 0.00 0.18 0.38 -0.81 0.23 0.00 0.00 176.35 176.33 2j03 n PRO 108 N 2.17 0.36 0.28 1.29 -0.04 -1.26 -4.92 135.00 132.88 2j03 n PRO 108 Ca -0.08 0.15 0.16 0.00 -0.04 0.00 0.00 63.50 63.69 2j03 n PRO 108 Cb 0.50 -1.61 0.75 0.00 -0.04 0.00 0.00 33.50 33.10 2j03 n PRO 108 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 2j03 h LYS 109 N -0.02 0.00 0.00 0.54 2.10 -1.93 -3.28 116.57 113.98 2j03 h LYS 109 Ca -0.45 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 57.85 2j03 h LYS 109 Cb 1.39 0.00 0.18 0.00 -0.90 0.00 0.00 32.23 32.89 2j03 h LYS 109 CO 0.44 0.07 0.09 0.41 -2.00 0.00 0.00 179.45 178.46 2j03 n GLY 110 N -0.29 -2.79 0.09 0.07 0.00 -1.26 -4.71 105.19 96.30 2j03 n GLY 110 Ca -0.01 -1.48 0.07 0.00 0.00 0.00 0.00 46.02 44.61 2j03 n GLY 110 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2j03 n PRO 111 N -4.52 0.09 -0.03 1.61 -0.02 -1.26 -0.87 135.00 129.99 2j03 n PRO 111 Ca 0.13 0.50 -0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2j03 n PRO 111 Cb 0.53 -1.75 -0.00 0.00 -0.02 0.00 0.00 33.50 32.26 2j03 n PRO 111 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2j03 h LEU 112 N 0.00 0.00 -1.95 2.45 5.85 -1.89 0.59 115.31 120.35 2j03 h LEU 112 Ca 0.00 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.84 2j03 h LEU 112 Cb 0.11 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 2j03 h LEU 112 CO 0.00 0.35 0.46 1.23 -0.34 0.00 0.00 178.44 180.14 2j03 h GLY 113 N -0.65 0.00 0.77 3.75 0.00 -1.53 4.44 103.07 109.86 2j03 h GLY 113 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 2j03 h GLY 113 CO 0.00 0.00 -0.38 -0.09 0.00 0.00 0.00 176.54 176.07 2j03 h ARG 114 N 0.00 0.42 -0.60 4.80 2.43 -1.06 -1.13 114.38 119.25 2j03 h ARG 114 Ca 0.19 -0.33 -0.09 0.00 -0.81 0.00 0.00 59.98 58.93 2j03 h ARG 114 Cb 1.10 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 2j03 h ARG 114 CO -0.00 0.96 0.00 -0.09 -1.51 0.00 0.00 179.97 179.33 2j03 h ARG 115 N -0.02 1.04 -0.55 0.20 2.43 0.96 -2.86 114.38 115.58 2j03 h ARG 115 Ca -0.02 -0.32 -0.06 0.00 -0.81 0.00 0.00 59.98 58.76 2j03 h ARG 115 Cb 1.02 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.45 2j03 h ARG 115 CO 0.08 1.02 0.09 -0.07 -1.51 0.00 0.00 179.97 179.58 2j03 h LEU 116 N 0.95 0.82 -2.06 3.80 3.38 0.53 0.35 115.31 123.08 2j03 h LEU 116 Ca 0.17 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2j03 h LEU 116 Cb 0.55 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2j03 h LEU 116 CO 0.03 0.84 -0.03 0.15 0.09 0.00 0.00 178.44 179.51 2j03 h PHE 117 N 0.83 0.00 0.00 1.13 3.57 -0.98 0.26 116.94 121.74 2j03 h PHE 117 Ca 0.17 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2j03 h PHE 117 Cb 0.37 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.11 2j03 h PHE 117 CO 0.02 0.03 0.00 0.87 -2.23 0.00 0.00 178.31 177.00 2j03 h LYS 118 N 0.00 0.00 0.05 1.11 1.57 -0.73 -3.19 116.57 115.39 2j03 h LYS 118 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2j03 h LYS 118 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2j03 h LYS 118 CO 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 179.45 178.86 2j03 h ARG 119 N 0.00 -0.06 -6.02 3.15 2.47 -0.92 -3.46 114.38 109.54 2j03 h ARG 119 Ca 0.00 0.00 -0.73 0.00 -1.26 0.00 0.00 59.98 57.99 2j03 h ARG 119 Cb 0.42 0.01 0.08 0.00 -1.65 0.00 0.00 29.97 28.83 2j03 h ARG 119 CO 0.00 0.42 -0.18 -0.11 0.56 0.00 0.00 179.97 180.66 2j03 n LEU 120 N -4.76 -0.45 -3.48 3.04 -0.00 -1.21 -4.66 117.00 105.49 2j03 n LEU 120 Ca -0.06 1.15 -0.28 0.00 -0.00 0.00 0.00 56.01 56.82 2j03 n LEU 120 Cb 0.25 -0.95 -0.13 0.00 -0.00 0.00 0.00 43.42 42.59 2j03 n LEU 120 CO 0.19 -2.33 -0.31 -0.75 -0.00 0.00 0.00 177.39 174.19 2j03 s LYS 121 N -0.45 0.42 -0.08 1.96 2.47 -0.67 -5.02 119.74 118.37 2j03 s LYS 121 Ca 0.79 -1.00 -0.06 0.00 -1.56 0.00 0.00 55.97 54.13 2j03 s LYS 121 Cb -1.10 -1.20 -0.04 0.00 -1.46 0.00 0.00 37.83 34.03 2j03 s LYS 121 CO 0.56 -1.14 0.17 0.08 0.16 0.00 0.00 175.35 175.19 2j03 s VAL 122 N 1.48 5.45 0.12 4.02 1.01 -1.26 -1.70 120.40 129.52 2j03 s VAL 122 Ca 0.15 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.30 2j03 s VAL 122 Cb -0.20 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 2j03 s VAL 122 CO -0.13 0.53 -0.05 -0.31 0.00 0.00 0.00 175.10 175.14 2j03 s TYR 123 N -1.12 0.99 -1.15 5.22 1.51 -0.44 -4.97 117.35 117.38 2j03 s TYR 123 Ca 0.19 -0.93 -0.06 0.00 -1.01 0.00 0.00 57.07 55.26 2j03 s TYR 123 Cb -0.12 -0.56 0.26 0.00 -0.11 0.00 0.00 41.96 41.42 2j03 s TYR 123 CO 0.09 -0.15 1.60 0.00 -1.11 0.00 0.00 175.55 175.99 2j03 n ALA 124 N -0.10 5.18 -1.41 3.71 0.00 -1.26 -1.91 120.51 124.71 2j03 n ALA 124 Ca -0.11 -4.62 0.00 0.00 0.00 0.00 0.00 53.44 48.71 2j03 n ALA 124 Cb 0.61 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 17.47 2j03 n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2j03 n GLY 125 N 1.95 1.31 3.35 0.00 0.00 -1.26 -4.67 105.19 105.86 2j03 n GLY 125 Ca 0.31 -1.51 -0.32 0.00 0.00 0.00 0.00 46.02 44.49 2j03 n GLY 125 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2j03 n PRO 126 N 0.00 -1.08 0.00 1.61 -0.04 -1.26 -4.26 135.00 129.97 2j03 n PRO 126 Ca 0.00 -0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.17 2j03 n PRO 126 Cb 0.00 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 2j03 n PRO 126 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2j03 n ASP 127 N -1.67 0.00 -3.17 3.54 9.92 -1.26 -4.73 116.55 119.18 2j03 n ASP 127 Ca 0.03 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 54.01 2j03 n ASP 127 Cb 0.58 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 41.02 2j03 n ASP 127 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2j03 n HIS 128 N 1.95 3.80 -1.50 1.24 1.44 -1.26 -4.87 115.22 116.02 2j03 n HIS 128 Ca 0.00 -3.89 -0.13 0.00 -2.01 0.00 0.00 57.72 51.69 2j03 n HIS 128 Cb 0.00 -0.59 -0.10 0.00 0.12 0.00 0.00 29.99 29.42 2j03 n HIS 128 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 2j03 n PRO 129 N 0.13 0.21 0.00 -1.40 -0.04 -1.26 -2.74 135.00 129.90 2j03 n PRO 129 Ca 0.32 -1.13 0.00 0.00 -0.04 0.00 0.00 63.50 62.65 2j03 n PRO 129 Cb 0.38 -3.32 0.00 0.00 -0.04 0.00 0.00 33.50 30.53 2j03 n PRO 129 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2j03 n HIS 130 N 16.82 0.00 -4.24 0.54 -0.00 -1.26 -5.16 115.22 121.92 2j03 n HIS 130 Ca 0.40 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.86 2j03 n HIS 130 Cb 0.44 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.35 2j03 n HIS 130 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 2j03 s GLN 131 N 0.00 2.31 0.00 1.57 -0.21 -1.11 -4.97 119.66 117.25 2j03 s GLN 131 Ca 0.00 -1.20 0.00 0.00 0.02 0.00 0.00 55.36 54.18 2j03 s GLN 131 Cb 0.00 -2.28 0.00 0.00 1.00 0.00 0.00 33.01 31.73 2j03 s GLN 131 CO 0.00 0.43 0.00 0.00 -2.12 0.00 0.00 175.29 173.60 2j03 n ALA 132 N -0.23 1.09 -2.92 6.09 0.00 -1.26 -4.91 120.51 118.38 2j03 n ALA 132 Ca -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.21 2j03 n ALA 132 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 2j03 n ALA 132 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2j03 n GLN 133 N -0.59 0.71 -2.71 0.00 7.27 -1.26 -5.10 117.38 115.69 2j03 n GLN 133 Ca 0.00 -2.28 -0.43 0.00 0.07 0.00 0.00 57.00 54.36 2j03 n GLN 133 Cb 0.00 -1.40 -0.03 0.00 2.41 0.00 0.00 30.24 31.22 2j03 n GLN 133 CO 0.00 0.00 0.00 -0.98 0.07 0.00 0.00 177.06 176.15 2j03 s ARG 134 N 0.10 3.59 -0.71 3.69 1.70 -1.26 -4.69 118.95 121.37 2j03 s ARG 134 Ca 0.33 0.29 -0.02 0.00 -0.47 0.00 0.00 55.73 55.86 2j03 s ARG 134 Cb 0.18 -3.94 0.32 0.00 -0.57 0.00 0.00 34.95 30.94 2j03 s ARG 134 CO -0.19 -1.35 2.15 -0.35 -1.08 0.00 0.00 175.30 174.48 2j03 n PRO 135 N 7.58 2.62 0.00 3.89 -0.04 -1.26 -4.78 135.00 143.00 2j03 n PRO 135 Ca 0.08 -3.14 0.00 0.00 -0.04 0.00 0.00 63.50 60.40 2j03 n PRO 135 Cb 0.49 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 2j03 n PRO 135 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2j03 n GLU 136 N -0.34 0.00 -3.96 0.54 2.13 -1.23 -4.35 120.64 113.43 2j03 n GLU 136 Ca 0.54 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 58.10 2j03 n GLU 136 Cb 0.41 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.09 2j03 n GLU 136 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2j03 s LYS 137 N 0.00 3.37 -0.76 5.31 2.20 -0.41 -4.88 119.74 124.57 2j03 s LYS 137 Ca 0.00 -0.63 0.03 0.00 -0.36 0.00 0.00 55.97 55.00 2j03 s LYS 137 Cb 0.00 -2.93 0.32 0.00 -1.51 0.00 0.00 37.83 33.71 2j03 s LYS 137 CO 0.00 0.52 1.23 1.28 -0.36 0.00 0.00 175.35 178.02 2j03 n LEU 138 N -0.53 5.42 0.00 5.43 4.77 -1.26 -4.75 117.00 126.07 2j03 n LEU 138 Ca -0.07 -5.53 0.00 0.00 -0.03 0.00 0.00 56.01 50.38 2j03 n LEU 138 Cb 0.54 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 2j03 n LEU 138 CO 0.48 2.17 0.00 1.21 -1.33 0.00 0.00 177.39 179.92