#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j03 n GLY 9 N 0.00 3.62 0.00 0.23 0.00 -1.26 -5.12 105.19 102.66 2j03 n GLY 9 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2j03 n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2j03 n LYS 10 N 0.00 0.00 0.00 1.61 5.02 -1.26 -4.01 118.16 119.52 2j03 n LYS 10 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2j03 n LYS 10 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2j03 n LYS 10 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2j03 n ARG 11 N 0.00 0.00 -0.00 1.97 5.12 -1.26 -3.64 116.66 118.84 2j03 n ARG 11 Ca 0.00 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 55.96 2j03 n ARG 11 Cb 0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.25 2j03 n ARG 11 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2j03 n PRO 12 N 0.00 2.93 0.00 5.56 -0.04 -1.26 -5.04 135.00 137.14 2j03 n PRO 12 Ca 0.00 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2j03 n PRO 12 Cb 0.00 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 2j03 n PRO 12 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2j03 n ILE 13 N -1.39 0.00 -4.34 0.52 0.13 -1.24 -5.09 119.36 107.94 2j03 n ILE 13 Ca 0.01 0.00 -0.29 0.00 -1.10 0.00 0.00 62.75 61.36 2j03 n ILE 13 Cb 0.16 0.00 -0.12 0.00 -0.84 0.00 0.00 39.64 38.85 2j03 n ILE 13 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 2j03 s VAL 14 N 3.24 2.77 -0.08 9.51 0.11 -1.26 -4.66 120.40 130.03 2j03 s VAL 14 Ca 0.00 -1.51 0.03 0.00 -2.93 0.00 0.00 61.98 57.57 2j03 s VAL 14 Cb 0.00 -2.26 -0.02 0.00 -1.53 0.00 0.00 36.38 32.57 2j03 s VAL 14 CO 0.00 0.12 -0.15 0.00 -3.33 0.00 0.00 175.10 171.73 2j03 s ALA 15 N -1.12 2.59 0.00 1.54 0.00 -1.26 -4.86 121.76 118.66 2j03 s ALA 15 Ca 0.17 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.18 2j03 s ALA 15 Cb -0.10 -1.02 0.00 0.00 0.00 0.00 0.00 23.12 22.00 2j03 s ALA 15 CO 0.09 0.43 0.00 0.27 0.00 0.00 0.00 175.76 176.56 2j03 n ASN 16 N 2.81 0.00 -0.30 0.00 6.94 -1.26 -4.67 115.26 118.78 2j03 n ASN 16 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.38 2j03 n ASN 16 Cb 0.52 -0.12 0.00 0.00 -2.36 0.00 0.00 39.78 37.83 2j03 n ASN 16 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 2j03 n SER 17 N -3.29 0.00 -4.03 0.53 3.41 -1.06 -5.02 113.62 104.16 2j03 n SER 17 Ca 0.00 -0.30 -0.26 0.00 -0.26 0.00 0.00 58.87 58.05 2j03 n SER 17 Cb 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.78 2j03 n SER 17 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2j03 s ILE 18 N -2.21 1.22 0.18 -1.33 1.09 -1.26 -2.94 121.20 115.95 2j03 s ILE 18 Ca 0.00 -0.51 0.11 0.00 -1.10 0.00 0.00 60.65 59.15 2j03 s ILE 18 Cb 0.00 -1.11 -0.04 0.00 -1.06 0.00 0.00 42.46 40.24 2j03 s ILE 18 CO 0.00 0.38 -0.24 -1.10 -0.10 0.00 0.00 174.94 173.88 2j03 s GLN 19 N 0.75 1.48 0.00 2.79 -0.21 -0.29 -4.94 119.66 119.24 2j03 s GLN 19 Ca -0.13 -1.49 0.00 0.00 0.02 0.00 0.00 55.36 53.76 2j03 s GLN 19 Cb -0.16 -1.81 0.00 0.00 1.00 0.00 0.00 33.01 32.04 2j03 s GLN 19 CO 0.03 0.40 0.00 0.54 -2.12 0.00 0.00 175.29 174.13 2j03 n ARG 20 N 0.35 3.41 0.00 2.91 5.12 -1.26 -0.00 116.66 127.19 2j03 n ARG 20 Ca -0.13 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.79 2j03 n ARG 20 Cb 0.56 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.86 2j03 n ARG 20 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2j03 n ARG 21 N 0.00 0.00 -2.74 5.56 3.00 -0.60 -3.76 116.66 118.12 2j03 n ARG 21 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.82 2j03 n ARG 21 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2j03 n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2j03 n GLY 22 N -1.30 0.02 3.52 5.14 0.00 -1.22 -4.78 105.19 106.56 2j03 n GLY 22 Ca 0.00 0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 2j03 n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j03 s LYS 23 N -0.94 3.26 0.20 1.61 -0.14 -1.22 -4.91 119.74 117.59 2j03 s LYS 23 Ca 0.03 -0.35 -0.12 0.00 -1.36 0.00 0.00 55.97 54.17 2j03 s LYS 23 Cb -0.00 -4.13 -0.07 0.00 -1.68 0.00 0.00 37.83 31.95 2j03 s LYS 23 CO 0.08 -1.76 0.56 0.00 -0.76 0.00 0.00 175.35 173.47 2j03 s ALA 24 N 4.52 3.56 -0.10 5.17 0.00 -1.26 -0.74 121.76 132.90 2j03 s ALA 24 Ca 0.31 -0.18 -0.03 0.00 0.00 0.00 0.00 51.96 52.05 2j03 s ALA 24 Cb -0.12 -2.50 0.04 0.00 0.00 0.00 0.00 23.12 20.54 2j03 s ALA 24 CO 0.16 0.47 0.06 0.21 0.00 0.00 0.00 175.76 176.67 2j03 s LYS 25 N -2.42 0.13 -0.13 0.00 2.20 -0.85 -4.92 119.74 113.75 2j03 s LYS 25 Ca 0.43 0.13 -0.34 0.00 -0.36 0.00 0.00 55.97 55.83 2j03 s LYS 25 Cb -0.13 -1.13 0.14 0.00 -1.51 0.00 0.00 37.83 35.20 2j03 s LYS 25 CO 0.20 -0.46 1.28 -0.98 -0.36 0.00 0.00 175.35 175.04 2j03 s ARG 26 N 2.10 0.28 0.00 4.03 1.04 -1.26 -3.17 118.95 121.97 2j03 s ARG 26 Ca 0.04 -0.13 0.00 0.00 -1.04 0.00 0.00 55.73 54.59 2j03 s ARG 26 Cb -0.14 0.11 0.00 0.00 -2.04 0.00 0.00 34.95 32.88 2j03 s ARG 26 CO -0.06 -0.12 0.19 0.39 -0.04 0.00 0.00 175.30 175.66 2j03 n GLU 27 N -0.27 0.00 0.00 3.89 4.71 -1.22 -4.92 120.64 122.83 2j03 n GLU 27 Ca -0.03 0.13 0.00 0.00 -0.01 0.00 0.00 57.16 57.24 2j03 n GLU 27 Cb 0.60 -0.69 0.00 0.00 -1.01 0.00 0.00 31.44 30.34 2j03 n GLU 27 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2j03 n GLY 28 N -0.32 0.00 4.00 0.62 0.00 -1.09 -4.92 105.19 103.49 2j03 n GLY 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2j03 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j03 n GLY 29 N 0.00 2.88 2.34 -0.02 0.00 -0.92 -4.62 105.19 104.84 2j03 n GLY 29 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2j03 n GLY 29 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2j03 n VAL 30 N -1.55 2.31 0.02 1.61 0.31 -1.26 -4.67 118.33 115.11 2j03 n VAL 30 Ca 0.00 -4.51 0.00 0.00 -0.01 0.00 0.00 64.34 59.82 2j03 n VAL 30 Cb 0.00 -1.03 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 2j03 n VAL 30 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2j03 n GLY 31 N -0.54 -1.88 0.00 2.92 0.00 -1.26 -5.14 105.19 99.28 2j03 n GLY 31 Ca 0.38 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.89 2j03 n GLY 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2j03 n LYS 32 N -2.42 0.00 0.00 1.61 5.02 -1.26 -5.00 118.16 116.11 2j03 n LYS 32 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2j03 n LYS 32 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2j03 n LYS 32 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2j03 n LYS 33 N 0.00 2.58 -3.65 1.97 4.81 -1.26 -2.17 118.16 120.44 2j03 n LYS 33 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 2j03 n LYS 33 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 2j03 n LYS 33 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 2j03 s THR 34 N 0.00 0.00 -0.01 3.15 -1.32 -1.26 -2.63 115.64 113.57 2j03 s THR 34 Ca 0.00 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.49 2j03 s THR 34 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 2j03 s THR 34 CO 0.00 0.00 -0.04 0.42 -2.21 0.00 0.00 174.62 172.79 2j03 s THR 35 N 0.58 0.32 0.59 5.08 -4.23 -1.19 -5.00 115.64 111.79 2j03 s THR 35 Ca -0.01 -0.14 -0.18 0.00 -1.18 0.00 0.00 61.69 60.19 2j03 s THR 35 Cb -0.04 -0.29 -0.03 0.00 1.34 0.00 0.00 72.50 73.48 2j03 s THR 35 CO -0.12 0.11 1.13 -0.83 -0.54 0.00 0.00 174.62 174.36 2j03 s GLY 36 N 0.11 2.45 -0.09 3.99 0.00 -1.26 -2.02 107.32 110.51 2j03 s GLY 36 Ca -0.01 0.73 0.02 0.00 0.00 0.00 0.00 44.72 45.46 2j03 s GLY 36 CO -0.00 1.09 -0.06 1.39 0.00 0.00 0.00 173.10 175.51 2j03 n ILE 37 N -1.75 0.52 -3.13 0.90 2.08 0.08 -4.85 119.36 113.20 2j03 n ILE 37 Ca 0.11 -0.22 0.05 0.00 0.56 0.00 0.00 62.75 63.26 2j03 n ILE 37 Cb 0.51 -0.82 0.00 0.00 -0.75 0.00 0.00 39.64 38.58 2j03 n ILE 37 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 2j03 s SER 38 N -4.68 -0.40 0.29 4.38 1.04 -1.24 -4.95 113.70 108.14 2j03 s SER 38 Ca -0.11 0.04 -0.30 0.00 0.48 0.00 0.00 55.95 56.06 2j03 s SER 38 Cb 0.03 1.22 -0.11 0.00 0.10 0.00 0.00 66.02 67.26 2j03 s SER 38 CO 0.23 -0.07 1.52 -0.54 0.98 0.00 0.00 173.24 175.36 2j03 s LYS 39 N 2.91 4.17 0.20 4.02 1.02 -1.26 -3.39 119.74 127.41 2j03 s LYS 39 Ca 0.27 2.48 0.07 0.00 0.02 0.00 0.00 55.97 58.81 2j03 s LYS 39 Cb -0.01 -3.04 -0.05 0.00 -0.52 0.00 0.00 37.83 34.21 2j03 s LYS 39 CO -0.23 -0.54 -0.11 0.50 -0.92 0.00 0.00 175.35 174.05 2j03 s ARG 40 N -0.74 1.30 -0.95 1.68 3.00 -1.26 -4.72 118.95 117.25 2j03 s ARG 40 Ca 0.60 -1.59 -0.13 0.00 -1.00 0.00 0.00 55.73 53.61 2j03 s ARG 40 Cb -0.46 -0.98 0.22 0.00 0.00 0.00 0.00 34.95 33.74 2j03 s ARG 40 CO 0.49 0.12 0.97 1.03 0.00 0.00 0.00 175.30 177.91 2j03 s ARG 41 N -3.69 3.82 0.46 5.12 1.81 -1.26 -1.55 118.95 123.65 2j03 s ARG 41 Ca 0.22 -2.61 -0.20 0.00 -1.72 0.00 0.00 55.73 51.43 2j03 s ARG 41 Cb 0.01 -4.58 -0.10 0.00 -0.45 0.00 0.00 34.95 29.84 2j03 s ARG 41 CO 0.06 -1.37 0.97 -1.14 -0.68 0.00 0.00 175.30 173.14 2j03 s GLN 42 N 0.16 4.07 -0.44 3.54 0.74 1.00 -4.93 119.66 123.80 2j03 s GLN 42 Ca 0.25 1.11 -0.08 0.00 0.05 0.00 0.00 55.36 56.70 2j03 s GLN 42 Cb -0.09 -2.15 0.10 0.00 1.10 0.00 0.00 33.01 31.97 2j03 s GLN 42 CO -0.08 -0.17 0.29 -0.47 -0.55 0.00 0.00 175.29 174.31 2j03 s TYR 43 N -2.27 3.41 -0.78 1.67 5.04 -1.26 -1.13 117.35 122.03 2j03 s TYR 43 Ca 0.62 -1.82 -0.20 0.00 -2.44 0.00 0.00 57.07 53.23 2j03 s TYR 43 Cb -0.10 -3.23 0.10 0.00 0.35 0.00 0.00 41.96 39.09 2j03 s TYR 43 CO 0.19 -0.93 1.00 -1.25 -1.34 0.00 0.00 175.55 173.22 2j03 s PRO 44 N 1.35 3.33 0.60 4.97 0.04 -1.15 -4.97 135.00 139.18 2j03 s PRO 44 Ca 0.05 -1.35 -0.10 0.00 0.04 0.00 0.00 61.00 59.64 2j03 s PRO 44 Cb -0.24 -4.55 0.15 0.00 0.04 0.00 0.00 34.50 29.89 2j03 s PRO 44 CO -0.00 -1.75 0.53 0.09 0.04 0.00 0.00 177.00 175.90 2j03 n ASN 45 N 6.94 -1.57 -3.89 6.66 3.02 -1.26 -2.56 115.26 122.60 2j03 n ASN 45 Ca 0.08 -0.81 -0.12 0.00 -0.03 0.00 0.00 54.58 53.70 2j03 n ASN 45 Cb 0.47 -0.49 -0.14 0.00 -0.61 0.00 0.00 39.78 39.01 2j03 n ASN 45 CO 0.00 0.00 0.00 -1.48 -2.62 0.00 0.00 177.26 173.16 2j03 s LEU 46 N 0.00 2.01 0.00 3.41 -0.00 -1.26 -4.70 118.68 118.14 2j03 s LEU 46 Ca 0.34 -0.04 0.00 0.00 -0.00 0.00 0.00 54.13 54.44 2j03 s LEU 46 Cb -0.03 -0.03 0.00 0.00 -0.00 0.00 0.00 46.19 46.12 2j03 s LEU 46 CO 0.26 -0.01 0.07 1.67 -0.00 0.00 0.00 176.35 178.35 2j03 n GLN 47 N 2.98 0.00 -0.05 1.48 0.00 -1.26 -4.81 117.38 115.72 2j03 n GLN 47 Ca -0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 57.00 56.85 2j03 n GLN 47 Cb 0.59 -0.34 -0.00 0.00 0.00 0.00 0.00 30.24 30.49 2j03 n GLN 47 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 2j03 n LYS 48 N -0.16 0.00 -3.83 3.69 3.00 -1.22 -4.40 118.16 115.24 2j03 n LYS 48 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.20 2j03 n LYS 48 Cb 0.07 -0.05 -0.08 0.00 0.00 0.00 0.00 35.03 34.97 2j03 n LYS 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2j03 s VAL 49 N -0.01 0.10 -0.10 3.15 1.01 0.20 -4.81 120.40 119.93 2j03 s VAL 49 Ca 0.03 -0.82 -0.27 0.00 0.00 0.00 0.00 61.98 60.93 2j03 s VAL 49 Cb -0.04 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 2j03 s VAL 49 CO 0.02 -0.45 0.88 -0.60 0.00 0.00 0.00 175.10 174.95 2j03 s ARG 50 N -2.40 4.40 -0.27 2.72 3.52 -1.26 -1.60 118.95 124.06 2j03 s ARG 50 Ca -0.06 1.16 0.02 0.00 -0.13 0.00 0.00 55.73 56.72 2j03 s ARG 50 Cb -0.02 -3.52 0.07 0.00 -1.56 0.00 0.00 34.95 29.92 2j03 s ARG 50 CO -0.03 -0.20 -0.05 0.08 -0.81 0.00 0.00 175.30 174.29 2j03 s VAL 51 N 1.66 1.87 0.25 7.11 1.01 0.19 -4.96 120.40 127.54 2j03 s VAL 51 Ca 0.43 -1.60 -0.30 0.00 0.00 0.00 0.00 61.98 60.52 2j03 s VAL 51 Cb -0.18 -2.14 -0.09 0.00 0.00 0.00 0.00 36.38 33.97 2j03 s VAL 51 CO 0.18 -0.20 1.03 -0.13 0.00 0.00 0.00 175.10 175.98 2j03 s ARG 52 N 1.20 4.73 -0.01 2.72 0.52 -1.26 -1.32 118.95 125.53 2j03 s ARG 52 Ca -0.03 1.66 -0.05 0.00 -0.52 0.00 0.00 55.73 56.79 2j03 s ARG 52 Cb -0.19 -3.24 0.00 0.00 0.52 0.00 0.00 34.95 32.04 2j03 s ARG 52 CO -0.07 0.32 0.10 0.08 0.02 0.00 0.00 175.30 175.75 2j03 s VAL 53 N -1.05 0.06 -1.58 3.52 1.01 0.25 -4.99 120.40 117.62 2j03 s VAL 53 Ca 0.44 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.99 2j03 s VAL 53 Cb -0.29 -0.31 0.20 0.00 0.00 0.00 0.00 36.38 35.98 2j03 s VAL 53 CO 0.36 -0.26 1.04 0.00 0.00 0.00 0.00 175.10 176.25 2j03 n ALA 54 N 2.05 2.61 -0.18 5.51 0.00 -1.26 -1.32 120.51 127.91 2j03 n ALA 54 Ca -0.19 -0.42 0.30 0.00 0.00 0.00 0.00 53.44 53.13 2j03 n ALA 54 Cb 0.57 -1.00 0.71 0.00 0.00 0.00 0.00 19.45 19.73 2j03 n ALA 54 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2j03 h GLY 55 N 5.27 0.00 0.00 0.00 0.00 -1.97 -3.41 103.07 102.96 2j03 h GLY 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2j03 h GLY 55 CO 0.05 0.00 0.00 -0.18 0.00 0.00 0.00 176.54 176.41 2j03 n GLN 56 N -3.97 0.00 -0.77 4.80 -0.06 -1.26 -4.96 117.38 111.16 2j03 n GLN 56 Ca 0.20 0.00 -0.04 0.00 -2.00 0.00 0.00 57.00 55.15 2j03 n GLN 56 Cb 1.08 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 27.21 2j03 n GLN 56 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 2j03 n GLU 57 N -2.37 0.00 -2.52 3.69 -0.58 -1.22 -5.07 120.64 112.57 2j03 n GLU 57 Ca 0.00 -0.60 -0.36 0.00 -0.42 0.00 0.00 57.16 55.78 2j03 n GLU 57 Cb 0.00 0.39 -0.04 0.00 -0.57 0.00 0.00 31.44 31.22 2j03 n GLU 57 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2j03 s ILE 58 N 0.00 3.68 0.04 -3.67 1.01 -0.43 -4.83 121.20 117.01 2j03 s ILE 58 Ca 0.00 1.24 0.09 0.00 0.00 0.00 0.00 60.65 61.98 2j03 s ILE 58 Cb 0.00 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 2j03 s ILE 58 CO 0.00 -0.04 -0.26 -0.89 0.00 0.00 0.00 174.94 173.76 2j03 s THR 59 N -1.70 2.20 -0.00 2.92 2.01 -1.26 0.86 115.64 120.67 2j03 s THR 59 Ca 0.60 -1.37 0.02 0.00 0.31 0.00 0.00 61.69 61.25 2j03 s THR 59 Cb -0.22 -1.86 -0.01 0.00 0.01 0.00 0.00 72.50 70.43 2j03 s THR 59 CO 0.27 0.37 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.14 2j03 s PHE 60 N -0.81 0.56 -0.80 4.92 0.08 -0.43 -4.97 117.98 116.53 2j03 s PHE 60 Ca 0.12 -0.12 -0.01 0.00 0.12 0.00 0.00 56.93 57.04 2j03 s PHE 60 Cb -0.10 -0.36 0.36 0.00 -0.57 0.00 0.00 43.02 42.35 2j03 s PHE 60 CO 0.02 -0.01 1.90 -2.13 -0.10 0.00 0.00 175.22 174.90 2j03 n ARG 61 N 2.86 2.89 -1.38 0.44 0.63 -1.26 0.57 116.66 121.41 2j03 n ARG 61 Ca -0.13 -3.68 -0.36 0.00 -0.92 0.00 0.00 57.85 52.76 2j03 n ARG 61 Cb 0.58 -2.27 0.08 0.00 0.45 0.00 0.00 32.46 31.30 2j03 n ARG 61 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 2j03 n VAL 62 N -0.52 2.81 0.64 5.15 3.14 -0.63 -4.38 118.33 124.55 2j03 n VAL 62 Ca 0.52 -0.40 0.02 0.00 -2.96 0.00 0.00 64.34 61.52 2j03 n VAL 62 Cb 0.29 -1.05 0.13 0.00 -1.06 0.00 0.00 33.84 32.15 2j03 n VAL 62 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2j03 n ALA 63 N -2.38 1.85 0.00 1.55 0.00 -1.24 0.61 120.51 120.89 2j03 n ALA 63 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2j03 n ALA 63 Cb 0.49 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.87 2j03 n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j03 n ALA 64 N -0.71 0.00 0.43 0.00 0.00 -1.26 -3.45 120.51 115.51 2j03 n ALA 64 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.60 2j03 n ALA 64 Cb 0.01 0.00 0.48 0.00 0.00 0.00 0.00 19.45 19.95 2j03 n ALA 64 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2j03 h SER 65 N 0.00 0.00 -0.24 0.00 4.64 -1.88 -2.85 113.55 113.23 2j03 h SER 65 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2j03 h SER 65 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2j03 h SER 65 CO 0.00 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.37 2j03 n HIS 66 N -2.42 0.46 -0.34 4.77 -0.00 -1.26 -4.78 115.22 111.65 2j03 n HIS 66 Ca 0.03 -0.63 0.01 0.00 -0.00 0.00 0.00 57.72 57.13 2j03 n HIS 66 Cb 0.31 -0.11 0.07 0.00 -0.00 0.00 0.00 29.99 30.26 2j03 n HIS 66 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 2j03 h ILE 67 N 1.46 0.05 0.00 1.59 2.04 -1.84 -2.48 117.51 118.33 2j03 h ILE 67 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2j03 h ILE 67 Cb 0.88 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 2j03 h ILE 67 CO 0.05 0.00 0.00 -0.81 0.00 0.00 0.00 178.15 177.39 2j03 n PRO 68 N -5.52 0.00 0.10 2.37 -0.04 -1.26 -1.73 135.00 128.92 2j03 n PRO 68 Ca 0.11 0.84 0.00 0.00 -0.04 0.00 0.00 63.50 64.41 2j03 n PRO 68 Cb 0.42 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 2j03 n PRO 68 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2j03 n LYS 69 N -2.46 0.01 -0.06 0.54 4.81 -0.93 0.31 118.16 120.38 2j03 n LYS 69 Ca 0.00 0.30 -0.14 0.00 -0.87 0.00 0.00 58.31 57.60 2j03 n LYS 69 Cb 0.00 -1.33 -0.07 0.00 0.02 0.00 0.00 35.03 33.66 2j03 n LYS 69 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2j03 h VAL 70 N 0.00 1.35 -0.06 3.15 2.07 -1.47 -2.16 116.25 119.13 2j03 h VAL 70 Ca 0.00 -1.49 -0.11 0.00 0.82 0.00 0.00 66.70 65.92 2j03 h VAL 70 Cb 0.89 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 2j03 h VAL 70 CO 0.00 0.45 -0.46 1.88 0.02 0.00 0.00 177.57 179.45 2j03 h TYR 71 N 0.11 0.16 -0.20 1.57 -1.99 0.47 -1.53 116.97 115.56 2j03 h TYR 71 Ca 0.01 -0.05 0.04 0.00 2.00 0.00 0.00 58.73 60.74 2j03 h TYR 71 Cb 0.84 -0.03 -0.04 0.00 2.00 0.00 0.00 36.73 39.49 2j03 h TYR 71 CO 0.09 0.58 -0.08 1.49 -0.00 0.00 0.00 178.16 180.23 2j03 h GLU 72 N 0.11 -0.05 0.44 4.88 4.81 -1.44 -1.71 114.58 121.62 2j03 h GLU 72 Ca 0.01 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2j03 h GLU 72 Cb 0.87 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.24 2j03 h GLU 72 CO 0.07 -0.03 -0.43 -0.07 -0.73 0.00 0.00 179.01 177.82 2j03 h LEU 73 N -0.05 -1.16 -1.56 1.64 3.38 -0.90 -1.31 115.31 115.36 2j03 h LEU 73 Ca 0.11 0.10 0.49 0.00 0.09 0.00 0.00 57.88 58.66 2j03 h LEU 73 Cb 0.21 0.38 -0.12 0.00 0.09 0.00 0.00 40.66 41.22 2j03 h LEU 73 CO -0.24 -0.58 1.01 0.58 0.09 0.00 0.00 178.44 179.30 2j03 h VAL 74 N -0.88 0.04 0.00 1.22 2.07 -0.88 0.78 116.25 118.60 2j03 h VAL 74 Ca -0.04 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2j03 h VAL 74 Cb 0.77 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2j03 h VAL 74 CO -0.06 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 176.92 2j03 n GLU 75 N -4.52 0.76 -3.43 1.57 1.02 -0.49 -4.30 120.64 111.25 2j03 n GLU 75 Ca 0.41 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 57.30 2j03 n GLU 75 Cb 1.65 -1.12 -0.11 0.00 -0.02 0.00 0.00 31.44 31.84 2j03 n GLU 75 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2j03 s ARG 76 N 0.45 0.54 -1.18 3.49 1.81 0.27 -5.04 118.95 119.29 2j03 s ARG 76 Ca 0.00 -1.05 -0.19 0.00 -1.72 0.00 0.00 55.73 52.77 2j03 s ARG 76 Cb 0.00 -1.06 -0.03 0.00 -0.45 0.00 0.00 34.95 33.41 2j03 s ARG 76 CO 0.00 -1.18 1.95 0.00 -0.68 0.00 0.00 175.30 175.39 2j03 n ALA 77 N 4.26 3.58 -0.26 2.13 0.00 -1.26 -4.78 120.51 124.18 2j03 n ALA 77 Ca 0.10 -3.53 -0.02 0.00 0.00 0.00 0.00 53.44 49.98 2j03 n ALA 77 Cb 0.41 -3.57 -0.03 0.00 0.00 0.00 0.00 19.45 16.25 2j03 n ALA 77 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2j03 n LYS 78 N 7.45 0.51 -1.86 0.00 5.02 -1.26 -4.70 118.16 123.33 2j03 n LYS 78 Ca 0.49 -0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 2j03 n LYS 78 Cb 0.43 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 2j03 n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2j03 n GLY 79 N 2.49 0.00 2.68 0.72 0.00 -1.26 -4.82 105.19 105.00 2j03 n GLY 79 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 2j03 n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2j03 s LEU 80 N -2.18 0.23 0.00 0.99 1.43 -1.26 -5.14 118.68 112.74 2j03 s LEU 80 Ca 0.00 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 2j03 s LEU 80 Cb 0.00 -0.19 0.00 0.00 0.03 0.00 0.00 46.19 46.03 2j03 s LEU 80 CO 0.00 -0.25 0.00 0.29 0.23 0.00 0.00 176.35 176.62 2j03 n LYS 81 N 5.27 2.91 -0.78 1.70 4.76 -1.26 -5.00 118.16 125.75 2j03 n LYS 81 Ca -0.04 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.11 2j03 n LYS 81 Cb 0.50 0.00 0.21 0.00 -1.84 0.00 0.00 35.03 33.90 2j03 n LYS 81 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2j03 s LEU 82 N 0.00 1.52 0.00 -0.35 2.96 -1.26 -4.88 118.68 116.67 2j03 s LEU 82 Ca 0.00 1.57 0.00 0.00 -0.22 0.00 0.00 54.13 55.48 2j03 s LEU 82 Cb 0.00 -3.69 0.00 0.00 0.50 0.00 0.00 46.19 43.00 2j03 s LEU 82 CO 0.00 -3.60 0.00 1.21 -1.32 0.00 0.00 176.35 172.64 2j03 n GLU 83 N -4.52 0.00 0.00 1.98 4.07 -1.26 -4.93 120.64 115.98 2j03 n GLU 83 Ca 0.05 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.15 2j03 n GLU 83 Cb 0.54 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.92 2j03 n GLU 83 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2j03 n GLY 84 N 0.00 1.69 0.25 8.31 0.00 -1.26 -4.43 105.19 109.74 2j03 n GLY 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2j03 n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2j03 n LEU 85 N 0.00 0.00 -3.95 0.99 4.77 -1.26 -4.95 117.00 112.60 2j03 n LEU 85 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.67 2j03 n LEU 85 Cb 0.00 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.07 2j03 n LEU 85 CO 0.00 -0.15 0.06 -1.54 -1.33 0.00 0.00 177.39 174.43 2j03 n SER 86 N -1.53 -4.39 -0.10 -1.43 3.41 -1.26 -4.81 113.62 103.52 2j03 n SER 86 Ca 0.00 -0.80 -0.10 0.00 -0.26 0.00 0.00 58.87 57.70 2j03 n SER 86 Cb 0.00 -3.53 -0.14 0.00 -0.26 0.00 0.00 64.21 60.29 2j03 n SER 86 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2j03 n PRO 87 N -4.52 0.94 0.00 4.33 -0.04 -1.26 -4.14 135.00 130.31 2j03 n PRO 87 Ca 0.05 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2j03 n PRO 87 Cb 0.52 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 2j03 n PRO 87 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2j03 n LYS 88 N -2.77 0.00 -0.14 0.54 5.02 -1.26 0.68 118.16 120.23 2j03 n LYS 88 Ca -0.32 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.03 2j03 n LYS 88 Cb 1.07 -0.46 0.11 0.00 -0.02 0.00 0.00 35.03 35.73 2j03 n LYS 88 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2j03 n GLU 89 N 0.00 -0.03 0.00 1.97 0.00 -1.26 0.22 120.64 121.54 2j03 n GLU 89 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 57.16 57.77 2j03 n GLU 89 Cb 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 31.44 30.48 2j03 n GLU 89 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 2j03 n ILE 90 N -4.43 0.00 -0.36 3.84 2.08 -0.95 0.50 119.36 120.04 2j03 n ILE 90 Ca 0.09 1.19 0.28 0.00 0.56 0.00 0.00 62.75 64.88 2j03 n ILE 90 Cb 0.30 -2.00 0.57 0.00 -0.75 0.00 0.00 39.64 37.77 2j03 n ILE 90 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 2j03 h LYS 91 N 0.00 0.26 0.02 0.38 1.57 0.77 0.19 116.57 119.76 2j03 h LYS 91 Ca 0.00 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 2j03 h LYS 91 Cb 0.00 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.26 2j03 h LYS 91 CO 0.00 0.17 -0.49 0.87 -0.57 0.00 0.00 179.45 179.43 2j03 h LYS 92 N 0.27 0.30 -2.82 3.15 6.56 0.34 -3.25 116.57 121.11 2j03 h LYS 92 Ca 0.65 -0.35 -0.35 0.00 -1.06 0.00 0.00 60.65 59.55 2j03 h LYS 92 Cb 1.88 0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 33.64 2j03 h LYS 92 CO -0.29 1.06 1.74 0.39 -2.06 0.00 0.00 179.45 180.29 2j03 n GLU 93 N -4.32 2.24 0.00 3.15 -0.58 1.85 -4.38 120.64 118.60 2j03 n GLU 93 Ca -0.11 -1.34 0.00 0.00 -0.42 0.00 0.00 57.16 55.29 2j03 n GLU 93 Cb 0.63 -2.29 0.00 0.00 -0.57 0.00 0.00 31.44 29.21 2j03 n GLU 93 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2j03 n LEU 94 N 3.38 0.00 -3.81 -4.62 0.00 -1.21 -4.87 117.00 105.87 2j03 n LEU 94 Ca 0.48 0.00 -0.09 0.00 0.00 0.00 0.00 56.01 56.40 2j03 n LEU 94 Cb 0.39 0.00 0.02 0.00 0.00 0.00 0.00 43.42 43.84 2j03 n LEU 94 CO 0.51 0.00 0.54 -0.76 0.00 0.00 0.00 177.39 177.68 2j03 s LEU 95 N 0.00 0.00 0.00 -1.96 1.43 -1.26 -5.14 118.68 111.75 2j03 s LEU 95 Ca 0.00 -1.12 0.00 0.00 -1.03 0.00 0.00 54.13 51.98 2j03 s LEU 95 Cb 0.00 2.82 0.00 0.00 0.03 0.00 0.00 46.19 49.04 2j03 s LEU 95 CO 0.00 -1.66 0.00 1.17 0.23 0.00 0.00 176.35 176.09