#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j03 n VAL 3 N 0.00 0.00 0.06 1.55 0.31 -1.26 -4.72 118.33 114.27 2j03 n VAL 3 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.35 2j03 n VAL 3 Cb 0.00 -1.03 -0.05 0.00 -0.91 0.00 0.00 33.84 31.85 2j03 n VAL 3 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 2j03 h LYS 4 N 0.00 0.00 -6.85 5.55 2.10 -2.08 -3.47 116.57 111.82 2j03 h LYS 4 Ca -0.07 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 58.03 2j03 h LYS 4 Cb 0.93 0.00 0.11 0.00 -0.90 0.00 0.00 32.23 32.37 2j03 h LYS 4 CO 0.10 0.27 0.62 0.00 -2.00 0.00 0.00 179.45 178.44 2j03 n MET 5 N -2.92 2.30 -0.45 0.07 0.00 -1.26 -4.98 117.12 109.88 2j03 n MET 5 Ca -0.06 0.81 0.00 0.00 0.00 0.00 0.00 57.70 58.45 2j03 n MET 5 Cb 0.77 -2.49 0.00 0.00 0.00 0.00 0.00 33.22 31.50 2j03 n MET 5 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 175.97 173.58 2j03 n HIS 6 N 0.22 0.00 0.00 3.17 1.44 -1.26 -5.17 115.22 113.61 2j03 n HIS 6 Ca 0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.75 2j03 n HIS 6 Cb 0.38 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.49 2j03 n HIS 6 CO 0.00 0.00 0.00 1.33 -2.81 0.00 0.00 176.34 174.86 2j03 n VAL 7 N 0.00 0.00 -1.02 0.61 0.24 -1.26 -4.95 118.33 111.94 2j03 n VAL 7 Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.94 2j03 n VAL 7 Cb 0.00 -0.14 0.06 0.00 -1.47 0.00 0.00 33.84 32.28 2j03 n VAL 7 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2j03 n LYS 8 N 0.00 -0.02 0.00 7.34 4.01 -1.26 -5.05 118.16 123.17 2j03 n LYS 8 Ca 0.00 0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.81 2j03 n LYS 8 Cb 0.00 -1.28 0.00 0.00 -0.51 0.00 0.00 35.03 33.24 2j03 n LYS 8 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 2j03 n LYS 9 N 1.08 1.08 -1.01 1.97 2.85 -1.26 -4.93 118.16 117.94 2j03 n LYS 9 Ca 0.03 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.97 2j03 n LYS 9 Cb 0.53 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.89 2j03 n LYS 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2j03 n GLY 10 N 1.55 3.18 0.63 2.58 0.00 -1.26 -4.38 105.19 107.50 2j03 n GLY 10 Ca 0.00 -1.11 -0.03 0.00 0.00 0.00 0.00 46.02 44.89 2j03 n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2j03 n ASP 11 N 5.29 -0.25 -4.68 1.61 5.68 -1.26 -4.82 116.55 118.11 2j03 n ASP 11 Ca 0.50 -1.36 -0.42 0.00 -0.50 0.00 0.00 54.79 53.01 2j03 n ASP 11 Cb 0.25 0.47 -0.03 0.00 -1.14 0.00 0.00 41.12 40.67 2j03 n ASP 11 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2j03 s THR 12 N -2.49 4.19 0.42 2.12 2.01 -1.26 -1.06 115.64 119.57 2j03 s THR 12 Ca 0.06 1.51 0.04 0.00 0.31 0.00 0.00 61.69 63.60 2j03 s THR 12 Cb -0.00 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.49 2j03 s THR 12 CO 0.04 -0.04 0.04 -0.69 -0.69 0.00 0.00 174.62 173.28 2j03 s VAL 13 N 2.63 1.29 -0.04 3.82 1.01 0.51 -4.02 120.40 125.59 2j03 s VAL 13 Ca 0.57 -2.00 0.02 0.00 0.00 0.00 0.00 61.98 60.57 2j03 s VAL 13 Cb -0.25 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.56 2j03 s VAL 13 CO 0.20 0.00 -0.09 -0.22 0.00 0.00 0.00 175.10 175.00 2j03 s LEU 14 N -3.68 1.60 0.00 3.92 2.96 0.55 -0.26 118.68 123.77 2j03 s LEU 14 Ca 0.25 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 53.95 2j03 s LEU 14 Cb 0.06 -0.61 0.00 0.00 0.50 0.00 0.00 46.19 46.14 2j03 s LEU 14 CO 0.12 0.02 0.00 0.52 -1.32 0.00 0.00 176.35 175.69 2j03 n VAL 15 N 3.69 0.00 0.00 1.68 0.31 -1.26 -0.34 118.33 122.41 2j03 n VAL 15 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 2j03 n VAL 15 Cb 0.52 -0.36 0.00 0.00 -0.91 0.00 0.00 33.84 33.09 2j03 n VAL 15 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2j03 n ALA 16 N -3.00 0.00 -1.00 3.52 0.00 -1.10 -4.28 120.51 114.66 2j03 n ALA 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2j03 n ALA 16 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2j03 n ALA 16 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2j03 n SER 17 N 0.00 0.00 0.00 0.00 3.41 -1.22 -4.79 113.62 111.02 2j03 n SER 17 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2j03 n SER 17 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2j03 n SER 17 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2j03 n GLY 18 N 0.84 -0.48 0.20 5.00 0.00 -1.26 -4.65 105.19 104.84 2j03 n GLY 18 Ca 0.00 0.21 0.10 0.00 0.00 0.00 0.00 46.02 46.33 2j03 n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2j03 h LYS 19 N 0.00 0.00 0.00 1.61 1.57 -2.04 0.20 116.57 117.91 2j03 h LYS 19 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2j03 h LYS 19 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2j03 h LYS 19 CO 0.00 0.00 -0.06 0.66 -0.57 0.00 0.00 179.45 179.48 2j03 n TYR 20 N -2.29 0.00 -1.02 -1.35 4.02 -1.26 -5.04 117.16 110.23 2j03 n TYR 20 Ca -0.01 -0.44 -0.45 0.00 -0.01 0.00 0.00 57.90 56.99 2j03 n TYR 20 Cb 0.26 -0.06 -0.08 0.00 -0.02 0.00 0.00 39.34 39.44 2j03 n TYR 20 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 2j03 n LYS 21 N -0.54 0.00 -2.05 -0.72 3.00 0.69 -3.49 118.16 115.06 2j03 n LYS 21 Ca 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.33 2j03 n LYS 21 Cb 0.44 -1.06 -0.02 0.00 0.00 0.00 0.00 35.03 34.39 2j03 n LYS 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2j03 n GLY 22 N 4.42 -3.91 2.71 3.14 0.00 -1.26 -4.81 105.19 105.47 2j03 n GLY 22 Ca 0.33 0.49 -0.06 0.00 0.00 0.00 0.00 46.02 46.78 2j03 n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j03 n ARG 23 N 0.66 0.54 -1.01 1.61 1.74 -1.23 -4.92 116.66 114.06 2j03 n ARG 23 Ca -0.14 -1.31 -0.39 0.00 -0.77 0.00 0.00 57.85 55.24 2j03 n ARG 23 Cb 0.22 -0.83 -0.05 0.00 -1.02 0.00 0.00 32.46 30.77 2j03 n ARG 23 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2j03 n VAL 24 N 1.21 0.10 -3.66 1.55 0.31 -1.26 -4.24 118.33 112.35 2j03 n VAL 24 Ca 0.04 -0.03 -0.11 0.00 -0.01 0.00 0.00 64.34 64.24 2j03 n VAL 24 Cb 0.68 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.56 2j03 n VAL 24 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2j03 s GLY 25 N -0.05 -0.24 1.05 2.92 0.00 0.64 -4.98 107.32 106.65 2j03 s GLY 25 Ca 0.60 -0.06 -0.15 0.00 0.00 0.00 0.00 44.72 45.11 2j03 s GLY 25 CO 0.39 -0.31 1.14 1.25 0.00 0.00 0.00 173.10 175.56 2j03 s LYS 26 N -3.67 0.04 0.02 2.90 2.20 -1.26 -0.36 119.74 119.61 2j03 s LYS 26 Ca 0.02 0.12 -0.01 0.00 -0.36 0.00 0.00 55.97 55.74 2j03 s LYS 26 Cb 0.02 -1.73 -0.00 0.00 -1.51 0.00 0.00 37.83 34.61 2j03 s LYS 26 CO -0.11 -2.91 -0.02 0.28 -0.36 0.00 0.00 175.35 172.24 2j03 n VAL 27 N -4.23 0.00 -0.00 4.02 0.31 -0.22 -4.42 118.33 113.79 2j03 n VAL 27 Ca 0.10 -0.02 0.05 0.00 -0.01 0.00 0.00 64.34 64.46 2j03 n VAL 27 Cb 0.59 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.45 2j03 n VAL 27 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2j03 n LYS 28 N 0.07 0.31 -2.48 5.55 2.85 -1.26 -3.33 118.16 119.87 2j03 n LYS 28 Ca 0.00 -0.08 -0.06 0.00 -1.05 0.00 0.00 58.31 57.12 2j03 n LYS 28 Cb 0.02 -1.21 0.03 0.00 -0.65 0.00 0.00 35.03 33.21 2j03 n LYS 28 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2j03 n GLU 29 N -1.81 -2.25 0.00 -1.58 4.71 -1.25 -3.80 120.64 114.66 2j03 n GLU 29 Ca -0.02 0.31 0.00 0.00 -0.01 0.00 0.00 57.16 57.44 2j03 n GLU 29 Cb 0.24 -3.66 0.00 0.00 -1.01 0.00 0.00 31.44 27.01 2j03 n GLU 29 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2j03 n VAL 30 N -2.13 0.00 0.00 2.62 0.31 -1.26 -4.92 118.33 112.95 2j03 n VAL 30 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 2j03 n VAL 30 Cb 0.56 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 2j03 n VAL 30 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2j03 n LEU 31 N 0.00 0.44 -0.19 7.52 -0.00 0.36 -4.99 117.00 120.13 2j03 n LEU 31 Ca 0.00 0.16 0.04 0.00 -0.00 0.00 0.00 56.01 56.21 2j03 n LEU 31 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.43 2j03 n LEU 31 CO 0.00 0.00 0.23 -0.81 -0.00 0.00 0.00 177.39 176.81 2j03 n PRO 32 N -0.23 1.78 -0.02 1.96 -0.04 -1.26 -4.90 135.00 132.28 2j03 n PRO 32 Ca 0.00 -0.61 0.00 0.00 -0.04 0.00 0.00 63.50 62.85 2j03 n PRO 32 Cb 0.00 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 2j03 n PRO 32 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2j03 n LYS 33 N -0.15 0.50 0.00 0.54 4.81 -1.26 -0.60 118.16 122.00 2j03 n LYS 33 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 2j03 n LYS 33 Cb 0.16 -1.25 0.00 0.00 0.02 0.00 0.00 35.03 33.96 2j03 n LYS 33 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2j03 n LYS 34 N 0.83 0.00 -2.94 1.64 5.02 -1.26 -5.03 118.16 116.42 2j03 n LYS 34 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 2j03 n LYS 34 Cb 0.25 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.30 2j03 n LYS 34 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 2j03 n TYR 35 N 0.00 -1.35 -4.45 2.13 9.36 0.23 -4.89 117.16 118.20 2j03 n TYR 35 Ca 0.00 0.51 -0.30 0.00 3.32 0.00 0.00 57.90 61.43 2j03 n TYR 35 Cb 0.00 -3.28 -0.12 0.00 -0.63 0.00 0.00 39.34 35.31 2j03 n TYR 35 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2j03 s ALA 36 N -3.17 2.56 0.00 2.98 0.00 -1.26 0.15 121.76 123.02 2j03 s ALA 36 Ca 0.19 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.81 2j03 s ALA 36 Cb -0.08 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.44 2j03 s ALA 36 CO 0.38 0.57 0.00 1.33 0.00 0.00 0.00 175.76 178.04 2j03 n VAL 37 N 1.06 0.00 0.00 0.00 0.24 0.38 -0.49 118.33 119.53 2j03 n VAL 37 Ca -0.16 0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 2j03 n VAL 37 Cb 0.53 -1.06 0.00 0.00 -1.47 0.00 0.00 33.84 31.84 2j03 n VAL 37 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2j03 n ILE 38 N -1.61 0.00 0.00 1.34 2.08 1.24 -3.82 119.36 118.59 2j03 n ILE 38 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2j03 n ILE 38 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 2j03 n ILE 38 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 2j03 n VAL 39 N 0.00 0.00 -1.40 1.39 0.31 -1.21 -3.68 118.33 113.74 2j03 n VAL 39 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2j03 n VAL 39 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2j03 n VAL 39 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2j03 n GLU 40 N 0.00 0.00 0.00 5.55 -0.58 -1.26 -4.70 120.64 119.65 2j03 n GLU 40 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2j03 n GLU 40 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2j03 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2j03 n GLY 41 N 0.00 -0.88 3.57 0.62 0.00 -1.24 -4.64 105.19 102.61 2j03 n GLY 41 Ca 0.00 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 2j03 n GLY 41 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2j03 n VAL 42 N 0.00 0.12 -2.38 1.61 0.31 -1.26 -4.81 118.33 111.91 2j03 n VAL 42 Ca 0.00 -0.62 -0.30 0.00 -0.01 0.00 0.00 64.34 63.42 2j03 n VAL 42 Cb 0.00 -2.61 0.01 0.00 -0.91 0.00 0.00 33.84 30.33 2j03 n VAL 42 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2j03 n ASN 43 N 13.74 5.27 -4.28 4.52 4.13 -1.26 0.15 115.26 137.52 2j03 n ASN 43 Ca 0.35 -3.74 -0.38 0.00 1.68 0.00 0.00 54.58 52.49 2j03 n ASN 43 Cb 0.48 -0.58 0.03 0.00 -1.54 0.00 0.00 39.78 38.17 2j03 n ASN 43 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2j03 n ILE 44 N -0.48 0.68 -4.67 2.41 5.41 -1.21 -4.42 119.36 117.08 2j03 n ILE 44 Ca 0.42 -0.48 -0.34 0.00 1.00 0.00 0.00 62.75 63.35 2j03 n ILE 44 Cb 0.57 -0.25 -0.12 0.00 -0.71 0.00 0.00 39.64 39.13 2j03 n ILE 44 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2j03 s VAL 45 N -1.94 3.59 0.00 1.39 1.01 -1.26 -3.36 120.40 119.82 2j03 s VAL 45 Ca 0.58 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.03 2j03 s VAL 45 Cb -0.41 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.52 2j03 s VAL 45 CO 0.66 0.59 0.00 0.29 0.00 0.00 0.00 175.10 176.64 2j03 n LYS 46 N 2.30 3.76 -2.24 2.72 5.02 -1.26 -5.00 118.16 123.46 2j03 n LYS 46 Ca -0.18 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 55.91 2j03 n LYS 46 Cb 0.53 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.56 2j03 n LYS 46 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2j03 n LYS 47 N 0.00 3.21 -0.05 1.97 5.02 -1.26 -4.83 118.16 122.22 2j03 n LYS 47 Ca 0.00 -4.09 -0.02 0.00 -2.02 0.00 0.00 58.31 52.18 2j03 n LYS 47 Cb 0.00 -2.14 -0.00 0.00 -0.02 0.00 0.00 35.03 32.87 2j03 n LYS 47 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2j03 n ALA 48 N -0.64 0.01 0.00 7.82 0.00 -1.23 -4.62 120.51 121.85 2j03 n ALA 48 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.80 2j03 n ALA 48 Cb 0.89 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.26 2j03 n ALA 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2j03 n VAL 49 N 0.25 0.00 -4.22 0.00 0.31 -1.26 -2.71 118.33 110.71 2j03 n VAL 49 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2j03 n VAL 49 Cb -0.00 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 2j03 n VAL 49 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2j03 n ARG 50 N -1.79 0.00 0.11 5.55 1.74 -1.26 -3.97 116.66 117.05 2j03 n ARG 50 Ca 0.00 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.07 2j03 n ARG 50 Cb 0.00 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.46 2j03 n ARG 50 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2j03 h VAL 51 N 0.00 1.25 -3.17 1.55 2.07 -2.02 -3.43 116.25 112.50 2j03 h VAL 51 Ca 0.00 -2.60 -0.46 0.00 0.82 0.00 0.00 66.70 64.46 2j03 h VAL 51 Cb 0.00 2.50 -0.40 0.00 -1.52 0.00 0.00 31.29 31.87 2j03 h VAL 51 CO 0.00 0.68 -0.75 -0.94 0.02 0.00 0.00 177.57 176.57 2j03 s SER 52 N -6.59 2.23 0.00 0.57 1.04 -1.26 -5.02 113.70 104.67 2j03 s SER 52 Ca 0.02 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.95 2j03 s SER 52 Cb 0.09 -0.35 0.00 0.00 0.10 0.00 0.00 66.02 65.87 2j03 s SER 52 CO 0.77 -0.30 0.77 -2.65 0.98 0.00 0.00 173.24 172.81 2j03 n PRO 53 N 5.20 0.39 -1.15 4.02 -0.02 -1.25 -4.86 135.00 137.33 2j03 n PRO 53 Ca -0.07 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.06 2j03 n PRO 53 Cb 0.49 -1.31 0.09 0.00 -0.02 0.00 0.00 33.50 32.75 2j03 n PRO 53 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2j03 n LYS 54 N 1.79 0.18 -1.92 -0.52 4.81 -1.26 -4.10 118.16 117.14 2j03 n LYS 54 Ca 0.00 0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 2j03 n LYS 54 Cb 0.19 -1.96 0.00 0.00 0.02 0.00 0.00 35.03 33.29 2j03 n LYS 54 CO 0.00 0.00 0.00 2.48 1.17 0.00 0.00 177.40 181.05 2j03 n TYR 55 N -2.78 -0.20 0.00 5.64 0.18 -1.26 -4.75 117.16 113.99 2j03 n TYR 55 Ca 0.10 0.12 0.00 0.00 1.88 0.00 0.00 57.90 60.00 2j03 n TYR 55 Cb 0.51 -1.02 0.00 0.00 -0.38 0.00 0.00 39.34 38.45 2j03 n TYR 55 CO 0.00 0.00 0.00 -2.30 -2.08 0.00 0.00 176.86 172.48 2j03 n PRO 56 N 1.90 0.00 0.00 -3.48 -0.02 -1.26 -4.80 135.00 127.35 2j03 n PRO 56 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2j03 n PRO 56 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2j03 n PRO 56 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2j03 n GLN 57 N 0.13 2.05 0.00 -0.52 6.02 -1.26 -4.81 117.38 118.99 2j03 n GLN 57 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2j03 n GLN 57 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2j03 n GLN 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2j03 n GLY 58 N 5.00 5.55 3.71 1.08 0.00 -1.10 -4.78 105.19 114.64 2j03 n GLY 58 Ca 0.00 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 45.07 2j03 n GLY 58 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2j03 s GLY 59 N 0.00 0.43 -0.32 -0.02 0.00 -1.21 -5.01 107.32 101.19 2j03 s GLY 59 Ca 0.00 -0.76 0.11 0.00 0.00 0.00 0.00 44.72 44.08 2j03 s GLY 59 CO 0.00 -0.44 1.13 0.69 0.00 0.00 0.00 173.10 174.48 2j03 n PHE 60 N -0.46 2.40 -0.62 1.90 3.01 -1.26 -3.58 117.46 118.85 2j03 n PHE 60 Ca -0.03 -2.45 0.00 0.00 1.01 0.00 0.00 57.45 55.97 2j03 n PHE 60 Cb 0.60 -0.26 0.00 0.00 -0.01 0.00 0.00 39.48 39.81 2j03 n PHE 60 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2j03 n ILE 61 N -0.57 0.38 0.00 4.37 -0.00 -1.26 -4.98 119.36 117.30 2j03 n ILE 61 Ca 0.31 -0.38 0.00 0.00 -0.00 0.00 0.00 62.75 62.68 2j03 n ILE 61 Cb 0.85 0.82 0.00 0.00 -0.00 0.00 0.00 39.64 41.31 2j03 n ILE 61 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 2j03 n GLU 62 N -0.19 0.00 -4.11 0.38 4.71 -1.26 -4.97 120.64 115.20 2j03 n GLU 62 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.16 56.99 2j03 n GLU 62 Cb 0.40 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.79 2j03 n GLU 62 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2j03 s LYS 63 N 0.00 1.98 0.47 3.49 1.02 -1.21 -5.03 119.74 120.46 2j03 s LYS 63 Ca 0.00 -1.85 -0.24 0.00 0.02 0.00 0.00 55.97 53.90 2j03 s LYS 63 Cb 0.00 0.44 -0.07 0.00 -0.52 0.00 0.00 37.83 37.68 2j03 s LYS 63 CO 0.00 -0.82 1.36 -1.21 -0.92 0.00 0.00 175.35 173.77 2j03 s GLU 64 N -2.93 3.56 -0.66 1.68 8.01 -1.26 -3.30 118.70 123.80 2j03 s GLU 64 Ca 0.32 2.26 -0.16 0.00 0.01 0.00 0.00 54.97 57.40 2j03 s GLU 64 Cb -0.01 -2.52 0.15 0.00 -4.31 0.00 0.00 34.13 27.44 2j03 s GLU 64 CO 0.23 -0.86 0.67 0.00 0.01 0.00 0.00 175.26 175.30 2j03 s ALA 65 N -1.27 3.68 0.00 5.21 0.00 0.39 -4.86 121.76 124.91 2j03 s ALA 65 Ca 0.64 -2.67 0.00 0.00 0.00 0.00 0.00 51.96 49.93 2j03 s ALA 65 Cb -0.40 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.26 2j03 s ALA 65 CO 0.51 -2.25 0.00 -2.30 0.00 0.00 0.00 175.76 171.72 2j03 n PRO 66 N 5.31 0.00 -1.13 0.00 -0.02 -1.26 -4.60 135.00 133.30 2j03 n PRO 66 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2j03 n PRO 66 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.91 2j03 n PRO 66 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2j03 n LEU 67 N -0.17 -4.41 -4.62 2.45 7.94 -1.26 0.38 117.00 117.31 2j03 n LEU 67 Ca 0.00 1.81 -0.47 0.00 -1.11 0.00 0.00 56.01 56.25 2j03 n LEU 67 Cb 0.00 -1.55 -0.03 0.00 0.53 0.00 0.00 43.42 42.36 2j03 n LEU 67 CO 0.00 -0.53 0.85 1.57 -1.11 0.00 0.00 177.39 178.17 2j03 n HIS 68 N 0.35 1.71 0.16 1.96 -0.00 -1.26 -0.47 115.22 117.67 2j03 n HIS 68 Ca 0.00 0.56 0.05 0.00 -0.00 0.00 0.00 57.72 58.33 2j03 n HIS 68 Cb 0.00 -2.36 0.48 0.00 -0.00 0.00 0.00 29.99 28.10 2j03 n HIS 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2j03 h ALA 69 N 3.69 1.69 0.00 1.57 0.00 0.11 -2.85 119.26 123.48 2j03 h ALA 69 Ca -0.44 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2j03 h ALA 69 Cb 1.31 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2j03 h ALA 69 CO 0.72 0.23 0.00 0.45 0.00 0.00 0.00 179.25 180.66 2j03 n SER 70 N -4.37 0.45 -0.15 0.00 2.88 -1.26 -3.07 113.62 108.09 2j03 n SER 70 Ca -0.01 0.62 0.13 0.00 -1.33 0.00 0.00 58.87 58.27 2j03 n SER 70 Cb 0.19 -0.71 0.34 0.00 -0.75 0.00 0.00 64.21 63.28 2j03 n SER 70 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2j03 n LYS 71 N -2.00 0.53 -3.44 -1.46 5.02 -1.07 -4.92 118.16 110.81 2j03 n LYS 71 Ca 0.02 -0.30 -0.20 0.00 -2.02 0.00 0.00 58.31 55.81 2j03 n LYS 71 Cb 0.19 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.69 2j03 n LYS 71 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2j03 s VAL 72 N -2.68 3.07 -0.10 -0.18 -7.23 -1.17 -2.70 120.40 109.40 2j03 s VAL 72 Ca 0.20 -1.21 -0.14 0.00 -1.81 0.00 0.00 61.98 59.01 2j03 s VAL 72 Cb 0.19 -3.08 0.03 0.00 0.56 0.00 0.00 36.38 34.08 2j03 s VAL 72 CO 0.59 -0.05 0.37 -0.13 -0.31 0.00 0.00 175.10 175.56 2j03 s ARG 73 N -4.17 0.54 0.93 4.82 0.52 0.54 -4.95 118.95 117.18 2j03 s ARG 73 Ca 0.48 0.28 -0.12 0.00 -0.52 0.00 0.00 55.73 55.85 2j03 s ARG 73 Cb -0.06 0.25 0.15 0.00 0.52 0.00 0.00 34.95 35.81 2j03 s ARG 73 CO 0.29 -0.11 1.11 -1.25 0.02 0.00 0.00 175.30 175.37 2j03 s PRO 74 N -0.36 0.98 -0.14 3.54 0.04 -1.26 -0.33 135.00 137.47 2j03 s PRO 74 Ca -0.05 0.48 -0.30 0.00 0.04 0.00 0.00 61.00 61.17 2j03 s PRO 74 Cb -0.03 -1.80 0.13 0.00 0.04 0.00 0.00 34.50 32.83 2j03 s PRO 74 CO 0.02 -2.35 1.03 -1.50 0.04 0.00 0.00 177.00 174.24 2j03 s ILE 75 N -3.10 0.00 0.00 0.56 -1.16 -1.24 -4.11 121.20 112.15 2j03 s ILE 75 Ca 0.64 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.78 2j03 s ILE 75 Cb -0.17 -1.00 0.00 0.00 0.61 0.00 0.00 42.46 41.90 2j03 s ILE 75 CO 0.56 0.00 0.00 0.00 -2.81 0.00 0.00 174.94 172.69 2j03 n PRO 77 N 0.00 0.00 0.00 0.00 -0.02 -1.26 -4.06 135.00 129.66 2j03 n PRO 77 Ca 0.00 -0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 2j03 n PRO 77 Cb 0.00 -1.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 2j03 n PRO 77 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2j03 n ALA 78 N 4.47 0.00 -2.33 3.55 0.00 -1.26 -5.14 120.51 119.80 2j03 n ALA 78 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.28 2j03 n ALA 78 Cb 0.45 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.79 2j03 n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j03 n GLY 80 N -0.41 0.43 1.86 0.00 0.00 -1.26 -4.78 105.19 101.03 2j03 n GLY 80 Ca -0.05 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2j03 n GLY 80 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2j03 n LYS 81 N 0.00 -4.68 -1.92 1.61 4.81 -1.26 -3.71 118.16 113.00 2j03 n LYS 81 Ca 0.00 3.41 -0.39 0.00 -0.87 0.00 0.00 58.31 60.46 2j03 n LYS 81 Cb 0.00 -3.66 0.02 0.00 0.02 0.00 0.00 35.03 31.41 2j03 n LYS 81 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 2j03 s PRO 82 N -1.00 3.50 1.02 1.64 0.02 -1.26 -4.66 135.00 134.26 2j03 s PRO 82 Ca 0.00 2.17 -0.12 0.00 0.02 0.00 0.00 61.00 63.06 2j03 s PRO 82 Cb 0.00 -2.44 0.20 0.00 0.02 0.00 0.00 34.50 32.28 2j03 s PRO 82 CO 0.00 -0.88 1.08 0.99 -0.33 0.00 0.00 177.00 177.85 2j03 s THR 83 N -1.32 2.21 0.15 0.99 2.01 -1.26 -3.01 115.64 115.41 2j03 s THR 83 Ca 0.66 0.07 -0.24 0.00 0.31 0.00 0.00 61.69 62.49 2j03 s THR 83 Cb -0.38 -2.39 0.07 0.00 0.01 0.00 0.00 72.50 69.81 2j03 s THR 83 CO 0.47 -0.09 0.68 -0.60 -0.69 0.00 0.00 174.62 174.39 2j03 s ARG 84 N -4.78 1.27 -0.03 4.92 3.52 -1.04 -4.75 118.95 118.08 2j03 s ARG 84 Ca 0.66 -0.53 0.05 0.00 -0.13 0.00 0.00 55.73 55.79 2j03 s ARG 84 Cb -0.21 0.55 -0.01 0.00 -1.56 0.00 0.00 34.95 33.72 2j03 s ARG 84 CO 0.60 -0.56 -0.18 0.08 -0.81 0.00 0.00 175.30 174.42 2j03 s VAL 85 N -3.65 1.46 0.11 7.11 1.01 -1.26 0.25 120.40 125.43 2j03 s VAL 85 Ca 0.04 -0.77 0.09 0.00 0.00 0.00 0.00 61.98 61.34 2j03 s VAL 85 Cb -0.02 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 2j03 s VAL 85 CO -0.09 0.42 -0.22 -0.60 0.00 0.00 0.00 175.10 174.61 2j03 s ARG 86 N -0.26 1.68 -0.05 2.72 3.52 -0.92 -4.93 118.95 120.70 2j03 s ARG 86 Ca 0.03 -1.21 -0.25 0.00 -0.13 0.00 0.00 55.73 54.17 2j03 s ARG 86 Cb -0.09 -2.03 -0.20 0.00 -1.56 0.00 0.00 34.95 31.07 2j03 s ARG 86 CO 0.00 0.48 1.05 1.57 -0.81 0.00 0.00 175.30 177.59 2j03 h LYS 87 N 3.97 -0.08 0.00 5.12 2.10 -1.86 -3.19 116.57 122.63 2j03 h LYS 87 Ca -0.50 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 2j03 h LYS 87 Cb 1.17 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2j03 h LYS 87 CO 0.43 0.47 0.00 1.63 -2.00 0.00 0.00 179.45 179.99 2j03 n LYS 88 N -4.84 0.00 -2.34 0.07 4.01 -1.26 -3.57 118.16 110.23 2j03 n LYS 88 Ca -0.08 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.72 2j03 n LYS 88 Cb 0.29 -0.44 0.00 0.00 -0.51 0.00 0.00 35.03 34.37 2j03 n LYS 88 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2j03 n PHE 89 N -1.61 0.00 0.00 2.13 7.35 -1.26 -4.78 117.46 119.29 2j03 n PHE 89 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2j03 n PHE 89 Cb 0.00 -0.97 0.00 0.00 0.35 0.00 0.00 39.48 38.86 2j03 n PHE 89 CO 0.00 0.00 0.00 1.47 -0.76 0.00 0.00 176.76 177.47 2j03 n LEU 90 N -0.40 0.00 0.00 -2.13 -0.00 -1.26 -5.14 117.00 108.07 2j03 n LEU 90 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2j03 n LEU 90 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.90 2j03 n LEU 90 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 176.77 2j03 n GLU 91 N 0.00 2.75 -3.60 1.47 -0.58 -1.25 -5.14 120.64 114.29 2j03 n GLU 91 Ca 0.00 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.63 2j03 n GLU 91 Cb 0.00 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 30.81 2j03 n GLU 91 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2j03 s ASN 92 N -1.00 -0.44 0.22 1.62 2.47 -1.23 -4.48 114.94 112.10 2j03 s ASN 92 Ca 0.00 0.64 -0.20 0.00 0.42 0.00 0.00 52.86 53.72 2j03 s ASN 92 Cb 0.00 0.58 0.03 0.00 -1.45 0.00 0.00 41.25 40.42 2j03 s ASN 92 CO 0.00 -0.29 0.61 -0.83 -3.72 0.00 0.00 177.10 172.88 2j03 s GLY 93 N -0.54 -0.18 -0.03 1.21 0.00 -1.20 -5.07 107.32 101.50 2j03 s GLY 93 Ca -0.01 -0.12 0.01 0.00 0.00 0.00 0.00 44.72 44.60 2j03 s GLY 93 CO -0.01 -0.12 -0.02 -1.59 0.00 0.00 0.00 173.10 171.36 2j03 s LYS 94 N -3.87 2.78 -0.02 2.90 -2.85 -1.26 -2.15 119.74 115.27 2j03 s LYS 94 Ca 0.09 -0.57 0.00 0.00 -1.00 0.00 0.00 55.97 54.48 2j03 s LYS 94 Cb -0.03 -2.66 0.03 0.00 -2.06 0.00 0.00 37.83 33.11 2j03 s LYS 94 CO -0.01 0.64 0.02 0.15 0.10 0.00 0.00 175.35 176.26 2j03 s LYS 95 N -1.27 0.00 1.05 1.78 1.02 0.14 -3.90 119.74 118.56 2j03 s LYS 95 Ca 0.17 0.15 -0.18 0.00 0.02 0.00 0.00 55.97 56.13 2j03 s LYS 95 Cb -0.11 -0.25 0.03 0.00 -0.52 0.00 0.00 37.83 36.98 2j03 s LYS 95 CO 0.07 -0.15 -0.13 0.44 -0.92 0.00 0.00 175.35 174.66 2j03 n ILE 96 N 4.05 0.00 -1.73 2.17 -5.35 -1.16 -2.49 119.36 114.85 2j03 n ILE 96 Ca -0.26 -0.25 -0.43 0.00 -0.27 0.00 0.00 62.75 61.54 2j03 n ILE 96 Cb 0.51 -0.49 -0.03 0.00 -1.74 0.00 0.00 39.64 37.89 2j03 n ILE 96 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2j03 s ARG 97 N -3.22 3.34 -1.13 6.28 1.70 -1.16 -3.45 118.95 121.31 2j03 s ARG 97 Ca 0.53 1.95 -0.26 0.00 -0.47 0.00 0.00 55.73 57.48 2j03 s ARG 97 Cb -0.12 -4.29 0.02 0.00 -0.57 0.00 0.00 34.95 29.99 2j03 s ARG 97 CO 0.68 -1.85 0.72 0.28 -1.08 0.00 0.00 175.30 174.04 2j03 n VAL 98 N 7.32 -4.07 0.00 4.99 0.31 -1.26 -4.78 118.33 120.83 2j03 n VAL 98 Ca 0.26 -0.66 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 2j03 n VAL 98 Cb 0.45 -3.20 0.00 0.00 -0.91 0.00 0.00 33.84 30.18 2j03 n VAL 98 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2j03 n ALA 100 N -1.03 0.00 -0.29 0.00 0.00 -1.23 -4.93 120.51 113.03 2j03 n ALA 100 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2j03 n ALA 100 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2j03 n ALA 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2j03 n LYS 101 N -1.68 -0.64 0.00 0.00 4.81 -1.26 -4.21 118.16 115.19 2j03 n LYS 101 Ca 0.00 0.48 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 2j03 n LYS 101 Cb 0.00 -0.76 0.00 0.00 0.02 0.00 0.00 35.03 34.29 2j03 n LYS 101 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57