#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jj4 s LYS 2 N 0.00 0.61 -0.33 2.12 -0.14 -0.64 -0.33 119.74 121.04 2jj4 s LYS 2 Ca 0.00 -0.83 -0.03 0.00 -1.36 0.00 0.00 55.97 53.76 2jj4 s LYS 2 Cb 0.00 -0.43 0.06 0.00 -1.68 0.00 0.00 37.83 35.78 2jj4 s LYS 2 CO 0.00 0.08 0.06 0.21 -0.76 0.00 0.00 175.35 174.94 2jj4 s LYS 3 N -1.68 2.40 -0.12 1.68 2.20 0.34 -0.48 119.74 124.07 2jj4 s LYS 3 Ca -0.07 -1.34 -0.25 0.00 -0.36 0.00 0.00 55.97 53.95 2jj4 s LYS 3 Cb -0.10 -3.31 -0.02 0.00 -1.51 0.00 0.00 37.83 32.89 2jj4 s LYS 3 CO 0.01 -0.70 0.80 0.42 -0.36 0.00 0.00 175.35 175.51 2jj4 s ILE 4 N 1.26 4.94 -0.19 5.43 1.01 -0.28 -1.77 121.20 131.60 2jj4 s ILE 4 Ca -0.02 1.60 -0.00 0.00 0.00 0.00 0.00 60.65 62.23 2jj4 s ILE 4 Cb -0.20 -4.12 0.01 0.00 0.01 0.00 0.00 42.46 38.16 2jj4 s ILE 4 CO -0.01 0.11 -0.16 -1.61 0.00 0.00 0.00 174.94 173.28 2jj4 s GLU 5 N 1.60 3.10 -0.25 2.79 2.02 0.67 -2.04 118.70 126.59 2jj4 s GLU 5 Ca 0.39 -0.77 -0.02 0.00 0.02 0.00 0.00 54.97 54.59 2jj4 s GLU 5 Cb -0.17 -2.68 0.03 0.00 0.10 0.00 0.00 34.13 31.41 2jj4 s GLU 5 CO 0.16 -0.18 -0.05 0.00 0.02 0.00 0.00 175.26 175.21 2jj4 s ALA 6 N 1.28 2.72 -0.50 5.21 0.00 0.06 -0.09 121.76 130.44 2jj4 s ALA 6 Ca 0.04 -1.48 -0.23 0.00 0.00 0.00 0.00 51.96 50.29 2jj4 s ALA 6 Cb -0.14 -1.72 0.04 0.00 0.00 0.00 0.00 23.12 21.30 2jj4 s ALA 6 CO -0.09 -0.84 0.84 0.42 0.00 0.00 0.00 175.76 176.08 2jj4 s ILE 7 N 1.33 4.56 0.16 0.00 -1.09 -1.03 -0.47 121.20 124.65 2jj4 s ILE 7 Ca -0.00 0.27 0.09 0.00 -2.23 0.00 0.00 60.65 58.78 2jj4 s ILE 7 Cb -0.17 -4.42 -0.04 0.00 -1.58 0.00 0.00 42.46 36.26 2jj4 s ILE 7 CO -0.04 -0.90 -0.21 0.27 -1.23 0.00 0.00 174.94 172.83 2jj4 s ILE 8 N 3.51 1.95 0.21 2.92 -4.36 0.53 -2.96 121.20 123.01 2jj4 s ILE 8 Ca 0.29 -1.85 -0.32 0.00 -0.26 0.00 0.00 60.65 58.51 2jj4 s ILE 8 Cb -0.13 -1.86 -0.12 0.00 1.25 0.00 0.00 42.46 41.60 2jj4 s ILE 8 CO 0.20 -0.18 1.67 -2.11 0.24 0.00 0.00 174.94 174.76 2jj4 n ARG 9 N 0.51 2.65 -0.35 0.37 1.85 -1.25 -0.69 116.66 119.75 2jj4 n ARG 9 Ca -0.15 0.95 0.05 0.00 -1.00 0.00 0.00 57.85 57.71 2jj4 n ARG 9 Cb 0.56 -2.77 0.13 0.00 -1.05 0.00 0.00 32.46 29.32 2jj4 n ARG 9 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2jj4 n PRO 10 N 3.58 -0.09 0.19 2.89 -0.02 -1.26 -1.67 135.00 138.61 2jj4 n PRO 10 Ca 0.15 1.50 0.03 0.00 -2.02 0.00 0.00 63.50 63.16 2jj4 n PRO 10 Cb 0.34 -2.23 0.38 0.00 -0.02 0.00 0.00 33.50 31.96 2jj4 n PRO 10 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2jj4 h PHE 11 N 0.00 0.00 0.00 6.00 -5.15 -1.98 -3.13 116.94 112.68 2jj4 h PHE 11 Ca 0.45 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 58.19 2jj4 h PHE 11 Cb 0.69 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.86 2jj4 h PHE 11 CO -0.74 0.36 -0.16 0.87 -2.00 0.00 0.00 178.31 176.63 2jj4 h LYS 12 N 0.00 0.00 -0.73 6.09 1.79 -1.70 -3.35 116.57 118.66 2jj4 h LYS 12 Ca -0.00 0.00 0.19 0.00 -2.18 0.00 0.00 60.65 58.65 2jj4 h LYS 12 Cb 0.65 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.16 2jj4 h LYS 12 CO 0.05 0.16 -0.04 -0.11 -1.08 0.00 0.00 179.45 178.43 2jj4 n LEU 13 N -3.53 -0.14 -0.08 2.94 0.00 -1.18 0.26 117.00 115.27 2jj4 n LEU 13 Ca -0.01 1.25 -0.10 0.00 0.00 0.00 0.00 56.01 57.15 2jj4 n LEU 13 Cb 0.31 -0.43 -0.03 0.00 0.00 0.00 0.00 43.42 43.27 2jj4 n LEU 13 CO 0.31 -1.25 0.91 0.44 0.00 0.00 0.00 177.39 177.80 2jj4 h ASP 14 N 0.00 0.34 -0.88 1.96 5.19 -1.87 0.21 116.42 121.37 2jj4 h ASP 14 Ca 0.42 -0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.71 2jj4 h ASP 14 Cb 0.81 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 40.19 2jj4 h ASP 14 CO -0.71 0.36 0.52 -0.08 -3.12 0.00 0.00 179.24 176.21 2jj4 h GLU 15 N 0.29 1.20 0.05 3.56 4.81 -0.47 -0.12 114.58 123.89 2jj4 h GLU 15 Ca 0.09 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2jj4 h GLU 15 Cb 0.11 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.24 2jj4 h GLU 15 CO -0.01 0.84 -0.02 0.28 -0.73 0.00 0.00 179.01 179.36 2jj4 h VAL 16 N 1.21 1.25 -0.10 0.32 2.07 -1.32 -2.19 116.25 117.49 2jj4 h VAL 16 Ca 0.32 -1.06 0.04 0.00 0.82 0.00 0.00 66.70 66.82 2jj4 h VAL 16 Cb -0.04 1.94 -0.06 0.00 -1.52 0.00 0.00 31.29 31.60 2jj4 h VAL 16 CO -0.06 0.26 -0.32 0.50 0.02 0.00 0.00 177.57 177.97 2jj4 h LYS 17 N -0.55 -0.40 -0.53 1.57 3.64 -0.68 -0.25 116.57 119.38 2jj4 h LYS 17 Ca -0.01 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.50 2jj4 h LYS 17 Cb 0.48 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.31 2jj4 h LYS 17 CO 0.01 -0.26 0.06 0.82 -2.27 0.00 0.00 179.45 177.81 2jj4 h ILE 18 N -0.41 0.64 -0.88 2.00 2.04 -1.10 -0.99 117.51 118.80 2jj4 h ILE 18 Ca 0.09 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.92 2jj4 h ILE 18 Cb 0.55 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 2jj4 h ILE 18 CO -0.33 0.03 0.58 0.00 0.00 0.00 0.00 178.15 178.43 2jj4 h ALA 19 N 1.45 1.44 -0.02 1.87 0.00 -0.62 -1.19 119.26 122.19 2jj4 h ALA 19 Ca 0.27 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.88 2jj4 h ALA 19 Cb 0.40 -0.32 0.02 0.00 0.00 0.00 0.00 17.79 17.90 2jj4 h ALA 19 CO -0.40 0.48 -1.00 -0.07 0.00 0.00 0.00 179.25 178.26 2jj4 h LEU 20 N 1.11 0.91 -0.78 0.00 4.07 -0.29 -1.03 115.31 119.30 2jj4 h LEU 20 Ca 0.35 -0.73 -0.08 0.00 0.08 0.00 0.00 57.88 57.50 2jj4 h LEU 20 Cb 0.00 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.44 2jj4 h LEU 20 CO -0.10 1.52 0.04 0.58 -1.08 0.00 0.00 178.44 179.40 2jj4 h VAL 21 N 0.40 1.26 -0.72 1.22 2.07 -1.07 0.14 116.25 119.55 2jj4 h VAL 21 Ca -0.12 -1.05 -0.07 0.00 0.82 0.00 0.00 66.70 66.28 2jj4 h VAL 21 Cb 1.65 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 2jj4 h VAL 21 CO 0.20 0.38 0.18 0.78 0.02 0.00 0.00 177.57 179.13 2jj4 h ASN 22 N 0.90 1.08 0.33 0.57 2.35 -1.21 -0.23 115.58 119.36 2jj4 h ASN 22 Ca 0.17 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2jj4 h ASN 22 Cb 0.47 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.55 2jj4 h ASN 22 CO 0.02 1.02 0.00 0.00 -1.65 0.00 0.00 177.43 176.82 2jj4 n ALA 23 N -2.46 2.02 -1.51 -0.83 0.00 -0.40 -4.92 120.51 112.42 2jj4 n ALA 23 Ca 0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 53.44 53.40 2jj4 n ALA 23 Cb 0.26 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.40 2jj4 n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jj4 n GLY 24 N 0.30 0.71 3.46 0.00 0.00 0.32 -5.04 105.19 104.93 2jj4 n GLY 24 Ca 0.09 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 2jj4 n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jj4 s ILE 25 N -3.00 3.19 -0.16 -0.61 -1.09 -0.17 -4.97 121.20 114.39 2jj4 s ILE 25 Ca 0.00 -0.65 -0.13 0.00 -2.23 0.00 0.00 60.65 57.64 2jj4 s ILE 25 Cb -0.00 -2.29 -0.04 0.00 -1.58 0.00 0.00 42.46 38.54 2jj4 s ILE 25 CO 0.00 0.56 -0.24 0.52 -1.23 0.00 0.00 174.94 174.56 2jj4 n VAL 26 N 2.77 1.45 -2.89 2.92 0.31 -1.26 -4.53 118.33 117.10 2jj4 n VAL 26 Ca -0.18 0.18 -0.41 0.00 -0.01 0.00 0.00 64.34 63.93 2jj4 n VAL 26 Cb 0.52 -2.37 -0.04 0.00 -0.91 0.00 0.00 33.84 31.05 2jj4 n VAL 26 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2jj4 s GLY 27 N -4.51 2.72 -0.22 2.92 0.00 -1.26 -5.04 107.32 101.92 2jj4 s GLY 27 Ca -0.20 0.31 -0.18 0.00 0.00 0.00 0.00 44.72 44.65 2jj4 s GLY 27 CO 0.30 1.43 0.58 -0.29 0.00 0.00 0.00 173.10 175.12 2jj4 s MET 28 N 0.97 0.64 -0.01 2.90 1.75 -1.26 -4.38 119.30 119.91 2jj4 s MET 28 Ca 0.44 0.90 0.01 0.00 -1.25 0.00 0.00 55.69 55.79 2jj4 s MET 28 Cb -0.19 0.23 0.00 0.00 2.84 0.00 0.00 34.83 37.71 2jj4 s MET 28 CO 0.22 -0.11 -0.04 0.95 -0.65 0.00 0.00 175.02 175.39 2jj4 s THR 29 N 0.77 0.33 0.04 10.11 -4.23 -0.33 -4.99 115.64 117.35 2jj4 s THR 29 Ca -0.04 -0.15 0.08 0.00 -1.18 0.00 0.00 61.69 60.40 2jj4 s THR 29 Cb -0.05 -0.30 -0.03 0.00 1.34 0.00 0.00 72.50 73.46 2jj4 s THR 29 CO -0.06 0.11 -0.21 0.68 -0.54 0.00 0.00 174.62 174.59 2jj4 s VAL 30 N 0.05 2.54 0.04 2.29 -7.23 -1.26 -0.22 120.40 116.61 2jj4 s VAL 30 Ca -0.00 -1.27 0.02 0.00 -1.81 0.00 0.00 61.98 58.91 2jj4 s VAL 30 Cb -0.03 -2.05 -0.02 0.00 0.56 0.00 0.00 36.38 34.84 2jj4 s VAL 30 CO -0.00 0.34 -0.07 -0.94 -0.31 0.00 0.00 175.10 174.12 2jj4 s SER 31 N -1.38 0.72 -0.12 4.85 1.04 -0.11 -5.01 113.70 113.69 2jj4 s SER 31 Ca 0.14 -0.56 -0.23 0.00 0.48 0.00 0.00 55.95 55.77 2jj4 s SER 31 Cb -0.10 0.06 -0.03 0.00 0.10 0.00 0.00 66.02 66.04 2jj4 s SER 31 CO 0.04 -0.24 0.70 -1.61 0.98 0.00 0.00 173.24 173.11 2jj4 s GLU 32 N -1.67 4.36 0.02 4.02 2.02 -1.26 -1.48 118.70 124.70 2jj4 s GLU 32 Ca -0.10 0.82 0.01 0.00 0.02 0.00 0.00 54.97 55.72 2jj4 s GLU 32 Cb -0.09 -3.50 -0.01 0.00 0.10 0.00 0.00 34.13 30.63 2jj4 s GLU 32 CO -0.00 -0.07 -0.04 0.08 0.02 0.00 0.00 175.26 175.25 2jj4 s VAL 33 N 1.28 0.22 -0.10 2.63 1.01 -0.99 -4.92 120.40 119.53 2jj4 s VAL 33 Ca 0.35 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 2jj4 s VAL 33 Cb -0.17 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 2jj4 s VAL 33 CO 0.15 -0.24 0.09 -0.13 0.00 0.00 0.00 175.10 174.97 2jj4 s ARG 34 N -0.87 3.27 0.35 2.72 0.52 -1.26 0.15 118.95 123.83 2jj4 s ARG 34 Ca -0.08 -0.25 0.02 0.00 -0.52 0.00 0.00 55.73 54.90 2jj4 s ARG 34 Cb -0.06 -3.04 -0.01 0.00 0.52 0.00 0.00 34.95 32.37 2jj4 s ARG 34 CO -0.00 0.74 0.43 0.20 0.02 0.00 0.00 175.30 176.69 2jj4 s GLY 35 N -1.08 1.85 -0.29 -3.53 0.00 0.13 -4.81 107.32 99.59 2jj4 s GLY 35 Ca 0.16 -1.75 -0.16 0.00 0.00 0.00 0.00 44.72 42.97 2jj4 s GLY 35 CO 0.05 -1.17 1.07 -0.11 0.00 0.00 0.00 173.10 172.95 2jj4 s PHE 36 N -3.06 -0.42 -0.34 1.90 -0.71 -1.26 -0.66 117.98 113.44 2jj4 s PHE 36 Ca 0.34 0.81 0.16 0.00 -1.04 0.00 0.00 56.93 57.20 2jj4 s PHE 36 Cb 0.00 0.25 0.44 0.00 -1.21 0.00 0.00 43.02 42.50 2jj4 s PHE 36 CO 0.24 -0.21 0.97 0.41 -1.34 0.00 0.00 175.22 175.29 2jj4 n GLY 37 N 3.74 1.74 3.91 1.99 0.00 -1.26 -5.11 105.19 110.20 2jj4 n GLY 37 Ca -0.16 -1.20 -0.28 0.00 0.00 0.00 0.00 46.02 44.38 2jj4 n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jj4 s ARG 38 N -2.63 3.62 -0.13 1.61 0.52 -1.26 -4.98 118.95 115.69 2jj4 s ARG 38 Ca 0.28 -0.00 -0.19 0.00 -0.52 0.00 0.00 55.73 55.29 2jj4 s ARG 38 Cb 0.44 -2.63 -0.04 0.00 0.52 0.00 0.00 34.95 33.24 2jj4 s ARG 38 CO 0.01 0.18 0.54 1.14 0.02 0.00 0.00 175.30 177.19 2jj4 s GLN 39 N -3.67 4.31 0.08 3.54 1.03 -1.26 -5.01 119.66 118.67 2jj4 s GLN 39 Ca 0.44 0.53 -0.18 0.00 0.04 0.00 0.00 55.36 56.18 2jj4 s GLN 39 Cb -0.11 -3.48 -0.07 0.00 0.03 0.00 0.00 33.01 29.39 2jj4 s GLN 39 CO 0.31 0.04 0.55 0.15 -2.54 0.00 0.00 175.29 173.80 2jj4 s LYS 40 N 0.98 4.15 -0.86 9.60 -0.14 -1.26 0.09 119.74 132.30 2jj4 s LYS 40 Ca 0.28 0.68 0.01 0.00 -1.36 0.00 0.00 55.97 55.58 2jj4 s LYS 40 Cb -0.16 -3.20 0.32 0.00 -1.68 0.00 0.00 37.83 33.12 2jj4 s LYS 40 CO 0.11 0.63 1.45 0.41 -0.76 0.00 0.00 175.35 177.19 2jj4 n GLY 41 N 1.62 5.82 3.60 -3.33 0.00 -1.26 -5.13 105.19 106.50 2jj4 n GLY 41 Ca -0.10 -2.67 -0.24 0.00 0.00 0.00 0.00 46.02 43.01 2jj4 n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jj4 s GLN 42 N -3.83 2.04 0.21 1.61 1.11 0.11 -5.15 119.66 115.77 2jj4 s GLN 42 Ca 0.42 -1.66 0.08 0.00 0.01 0.00 0.00 55.36 54.20 2jj4 s GLN 42 Cb 0.21 -1.95 -0.04 0.00 -1.01 0.00 0.00 33.01 30.21 2jj4 s GLN 42 CO -0.11 0.24 0.01 0.95 0.01 0.00 0.00 175.29 176.39 2jj4 s THR 43 N -2.46 3.66 -0.09 -0.19 -4.23 -1.26 -4.46 115.64 106.60 2jj4 s THR 43 Ca 0.33 -1.58 -0.02 0.00 -1.18 0.00 0.00 61.69 59.25 2jj4 s THR 43 Cb -0.03 -2.88 -0.03 0.00 1.34 0.00 0.00 72.50 70.90 2jj4 s THR 43 CO 0.18 -0.20 -0.02 -0.70 -0.54 0.00 0.00 174.62 173.34 2jj4 s GLU 44 N -3.21 3.06 -0.07 3.99 2.12 -0.27 -4.91 118.70 119.42 2jj4 s GLU 44 Ca 0.29 -0.46 -0.16 0.00 0.36 0.00 0.00 54.97 55.00 2jj4 s GLU 44 Cb -0.08 -2.77 -0.05 0.00 0.26 0.00 0.00 34.13 31.49 2jj4 s GLU 44 CO 0.19 0.60 0.41 1.03 -0.54 0.00 0.00 175.26 176.96 2jj4 s ARG 45 N -0.62 4.11 -0.15 4.30 0.52 -1.26 -0.84 118.95 125.01 2jj4 s ARG 45 Ca 0.10 0.37 -0.07 0.00 -0.52 0.00 0.00 55.73 55.61 2jj4 s ARG 45 Cb -0.12 -3.32 0.06 0.00 0.52 0.00 0.00 34.95 32.09 2jj4 s ARG 45 CO 0.02 0.44 0.34 -0.47 0.02 0.00 0.00 175.30 175.66 2jj4 s TYR 46 N -0.27 -0.54 -1.20 -0.53 5.04 0.25 -4.90 117.35 115.20 2jj4 s TYR 46 Ca 0.23 1.16 -0.16 0.00 -2.44 0.00 0.00 57.07 55.86 2jj4 s TYR 46 Cb -0.16 0.16 0.02 0.00 0.35 0.00 0.00 41.96 42.34 2jj4 s TYR 46 CO 0.11 -0.35 0.31 0.54 -1.34 0.00 0.00 175.55 174.82 2jj4 n ARG 47 N 4.69 -0.61 0.00 4.97 1.74 -1.26 -0.68 116.66 125.51 2jj4 n ARG 47 Ca -0.18 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 2jj4 n ARG 47 Cb 0.52 -2.54 0.00 0.00 -1.02 0.00 0.00 32.46 29.43 2jj4 n ARG 47 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jj4 n GLY 48 N -2.17 2.97 3.80 -0.13 0.00 -1.26 -4.99 105.19 103.41 2jj4 n GLY 48 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 2jj4 n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jj4 s SER 49 N -1.87 5.76 -0.05 1.61 0.01 0.14 -5.10 113.70 114.21 2jj4 s SER 49 Ca 0.00 0.13 -0.22 0.00 1.31 0.00 0.00 55.95 57.16 2jj4 s SER 49 Cb 0.00 -1.65 -0.04 0.00 0.21 0.00 0.00 66.02 64.54 2jj4 s SER 49 CO 0.00 0.23 0.66 -1.61 0.41 0.00 0.00 173.24 172.93 2jj4 s GLU 50 N -2.05 4.41 0.03 12.44 2.02 -1.26 -0.58 118.70 133.71 2jj4 s GLU 50 Ca 0.27 0.83 0.05 0.00 0.02 0.00 0.00 54.97 56.14 2jj4 s GLU 50 Cb -0.12 -3.41 -0.02 0.00 0.10 0.00 0.00 34.13 30.67 2jj4 s GLU 50 CO 0.18 0.16 -0.16 0.71 0.02 0.00 0.00 175.26 176.18 2jj4 s TYR 51 N 0.47 1.36 -0.08 1.61 1.51 -0.02 -4.98 117.35 117.23 2jj4 s TYR 51 Ca 0.35 -0.34 -0.09 0.00 -1.01 0.00 0.00 57.07 55.98 2jj4 s TYR 51 Cb -0.18 -0.82 -0.03 0.00 -0.11 0.00 0.00 41.96 40.82 2jj4 s TYR 51 CO 0.18 0.04 -0.18 0.25 -1.11 0.00 0.00 175.55 174.72 2jj4 n THR 52 N 2.04 0.91 0.00 -0.71 -2.24 -1.26 -1.11 114.28 111.91 2jj4 n THR 52 Ca -0.17 0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 2jj4 n THR 52 Cb 0.54 -1.92 0.00 0.00 -2.10 0.00 0.00 70.33 66.86 2jj4 n THR 52 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2jj4 n VAL 53 N -3.62 0.00 -2.04 2.28 3.14 -1.26 -4.84 118.33 111.99 2jj4 n VAL 53 Ca -0.07 -0.38 -0.33 0.00 -2.96 0.00 0.00 64.34 60.60 2jj4 n VAL 53 Cb 0.27 0.90 0.01 0.00 -1.06 0.00 0.00 33.84 33.96 2jj4 n VAL 53 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 2jj4 s GLU 54 N -1.14 3.30 0.20 1.45 1.03 -1.26 -4.98 118.70 117.30 2jj4 s GLU 54 Ca 0.00 1.22 -0.30 0.00 0.03 0.00 0.00 54.97 55.92 2jj4 s GLU 54 Cb 0.00 -2.03 -0.08 0.00 -0.80 0.00 0.00 34.13 31.22 2jj4 s GLU 54 CO 0.00 -0.83 1.12 -0.06 -1.33 0.00 0.00 175.26 174.16 2jj4 s PHE 55 N -2.43 3.56 0.18 4.83 0.40 -1.26 -4.76 117.98 118.50 2jj4 s PHE 55 Ca 0.64 1.59 0.11 0.00 -0.60 0.00 0.00 56.93 58.67 2jj4 s PHE 55 Cb -0.16 -3.30 -0.04 0.00 0.51 0.00 0.00 43.02 40.02 2jj4 s PHE 55 CO 0.37 -0.70 -0.24 -0.51 0.70 0.00 0.00 175.22 174.84 2jj4 s LEU 56 N -0.56 2.42 0.07 -0.37 1.43 0.16 -4.81 118.68 117.01 2jj4 s LEU 56 Ca 0.49 -0.85 -0.31 0.00 -1.03 0.00 0.00 54.13 52.43 2jj4 s LEU 56 Cb -0.30 -1.17 -0.07 0.00 0.03 0.00 0.00 46.19 44.67 2jj4 s LEU 56 CO 0.36 0.13 1.42 -1.58 0.23 0.00 0.00 176.35 176.92 2jj4 s GLN 57 N -2.58 4.29 0.00 1.70 2.00 -1.26 0.22 119.66 124.03 2jj4 s GLN 57 Ca 0.20 2.06 0.00 0.00 -2.00 0.00 0.00 55.36 55.62 2jj4 s GLN 57 Cb -0.08 -3.41 0.00 0.00 0.80 0.00 0.00 33.01 30.31 2jj4 s GLN 57 CO 0.09 -0.52 0.00 1.63 -0.50 0.00 0.00 175.29 175.99 2jj4 n LYS 58 N 4.69 0.00 -3.66 1.67 4.76 0.41 -4.60 118.16 121.43 2jj4 n LYS 58 Ca 0.13 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.34 2jj4 n LYS 58 Cb 0.43 0.00 -0.18 0.00 -1.84 0.00 0.00 35.03 33.44 2jj4 n LYS 58 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2jj4 s LEU 59 N 0.00 0.26 -0.04 -0.35 1.43 0.13 -2.36 118.68 117.76 2jj4 s LEU 59 Ca 0.00 -0.17 -0.29 0.00 -1.03 0.00 0.00 54.13 52.64 2jj4 s LEU 59 Cb 0.00 -0.21 -0.02 0.00 0.03 0.00 0.00 46.19 45.99 2jj4 s LEU 59 CO 0.00 -0.28 0.98 -0.75 0.23 0.00 0.00 176.35 176.53 2jj4 s LYS 60 N 2.14 4.50 -0.17 1.70 2.20 -0.55 -0.34 119.74 129.21 2jj4 s LYS 60 Ca 0.04 1.38 0.00 0.00 -0.36 0.00 0.00 55.97 57.03 2jj4 s LYS 60 Cb -0.13 -3.49 0.03 0.00 -1.51 0.00 0.00 37.83 32.73 2jj4 s LYS 60 CO -0.05 -0.15 -0.11 -1.17 -0.36 0.00 0.00 175.35 173.51 2jj4 s LEU 61 N 1.39 1.90 -0.22 5.43 2.96 0.38 -0.93 118.68 129.59 2jj4 s LEU 61 Ca 0.50 -0.67 -0.02 0.00 -0.22 0.00 0.00 54.13 53.72 2jj4 s LEU 61 Cb -0.20 -1.15 0.01 0.00 0.50 0.00 0.00 46.19 45.35 2jj4 s LEU 61 CO 0.24 -0.11 -0.10 -1.61 -1.32 0.00 0.00 176.35 173.45 2jj4 s GLU 62 N 1.48 3.10 0.00 1.98 2.02 0.69 -0.76 118.70 127.21 2jj4 s GLU 62 Ca 0.02 -0.79 0.05 0.00 0.02 0.00 0.00 54.97 54.26 2jj4 s GLU 62 Cb -0.15 -2.87 -0.01 0.00 0.10 0.00 0.00 34.13 31.20 2jj4 s GLU 62 CO -0.09 -0.26 -0.15 0.42 0.02 0.00 0.00 175.26 175.20 2jj4 s ILE 63 N 1.38 1.19 -0.18 -1.63 -1.09 -0.87 -1.19 121.20 118.81 2jj4 s ILE 63 Ca 0.04 -0.75 -0.06 0.00 -2.23 0.00 0.00 60.65 57.65 2jj4 s ILE 63 Cb -0.15 -1.02 -0.04 0.00 -1.58 0.00 0.00 42.46 39.68 2jj4 s ILE 63 CO -0.07 0.26 0.04 -0.69 -1.23 0.00 0.00 174.94 173.25 2jj4 s VAL 64 N -0.48 4.50 0.01 2.92 1.01 -1.26 -1.13 120.40 125.97 2jj4 s VAL 64 Ca 0.05 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.92 2jj4 s VAL 64 Cb -0.06 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 2jj4 s VAL 64 CO -0.00 0.46 -0.10 -0.69 0.00 0.00 0.00 175.10 174.77 2jj4 s VAL 65 N 0.51 0.76 0.30 2.92 1.01 0.37 -4.88 120.40 121.38 2jj4 s VAL 65 Ca 0.01 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 61.05 2jj4 s VAL 65 Cb -0.13 -0.69 -0.11 0.00 0.00 0.00 0.00 36.38 35.46 2jj4 s VAL 65 CO 0.01 0.04 1.49 -1.61 0.00 0.00 0.00 175.10 175.03 2jj4 s GLU 66 N -0.69 4.19 0.38 2.72 0.41 -1.26 -1.62 118.70 122.83 2jj4 s GLU 66 Ca 0.01 2.45 0.20 0.00 -0.41 0.00 0.00 54.97 57.21 2jj4 s GLU 66 Cb -0.06 -3.04 1.19 0.00 -1.78 0.00 0.00 34.13 30.44 2jj4 s GLU 66 CO 0.00 -0.49 1.67 -0.44 -0.49 0.00 0.00 175.26 175.51 2jj4 h ASP 67 N 4.35 0.42 0.62 -0.19 3.32 -1.94 0.20 116.42 123.20 2jj4 h ASP 67 Ca -0.48 0.16 -0.10 0.00 0.02 0.00 0.00 57.03 56.64 2jj4 h ASP 67 Cb 1.22 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.88 2jj4 h ASP 67 CO 0.74 -0.13 -0.45 0.00 -1.72 0.00 0.00 179.24 177.68 2jj4 h ALA 68 N 1.75 1.09 -0.01 3.45 0.00 -2.03 -3.22 119.26 120.31 2jj4 h ALA 68 Ca 0.74 -0.41 -0.15 0.00 0.00 0.00 0.00 54.91 55.09 2jj4 h ALA 68 Cb 1.92 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.61 2jj4 h ALA 68 CO -0.51 0.57 -0.71 1.96 0.00 0.00 0.00 179.25 180.56 2jj4 h GLN 69 N 0.00 0.04 -0.79 0.00 4.20 -0.96 -3.38 115.11 114.22 2jj4 h GLN 69 Ca -0.00 -0.03 0.10 0.00 0.06 0.00 0.00 58.65 58.77 2jj4 h GLN 69 Cb 0.89 0.01 -0.11 0.00 0.30 0.00 0.00 27.48 28.56 2jj4 h GLN 69 CO 0.06 0.73 -0.38 0.28 -0.67 0.00 0.00 178.83 178.84 2jj4 n VAL 70 N -3.72 -0.47 0.14 -0.54 0.31 -1.22 -1.58 118.33 111.26 2jj4 n VAL 70 Ca -0.01 1.88 -0.15 0.00 -0.01 0.00 0.00 64.34 66.05 2jj4 n VAL 70 Cb 0.69 -2.41 -0.08 0.00 -0.91 0.00 0.00 33.84 31.13 2jj4 n VAL 70 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2jj4 h ASP 71 N 0.00 -1.32 1.39 4.52 5.19 -1.83 -2.12 116.42 122.25 2jj4 h ASP 71 Ca 0.21 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.75 2jj4 h ASP 71 Cb 0.40 0.48 0.00 0.00 0.18 0.00 0.00 39.33 40.40 2jj4 h ASP 71 CO -0.77 -0.53 -0.11 0.71 -3.12 0.00 0.00 179.24 175.42 2jj4 h THR 72 N -0.72 0.00 -0.00 0.35 1.35 -1.73 -2.81 112.91 109.34 2jj4 h THR 72 Ca 0.00 -0.50 -0.25 0.00 -0.55 0.00 0.00 66.41 65.11 2jj4 h THR 72 Cb 0.72 1.43 0.01 0.00 -1.73 0.00 0.00 68.15 68.59 2jj4 h THR 72 CO -0.22 0.00 -1.00 0.58 -0.25 0.00 0.00 175.52 174.62 2jj4 h VAL 73 N 0.00 1.32 -0.36 6.82 2.07 -1.10 -1.74 116.25 123.27 2jj4 h VAL 73 Ca 0.00 -2.31 -0.01 0.00 0.82 0.00 0.00 66.70 65.21 2jj4 h VAL 73 Cb 0.75 2.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.89 2jj4 h VAL 73 CO 0.00 0.71 0.19 0.40 0.02 0.00 0.00 177.57 178.89 2jj4 h ILE 74 N 0.34 1.14 -0.77 4.57 2.04 -1.34 -0.97 117.51 122.53 2jj4 h ILE 74 Ca -0.11 -0.37 0.15 0.00 1.00 0.00 0.00 64.86 65.52 2jj4 h ILE 74 Cb 1.65 0.74 -0.10 0.00 -0.74 0.00 0.00 36.82 38.38 2jj4 h ILE 74 CO 0.19 0.15 0.32 0.44 0.00 0.00 0.00 178.15 179.25 2jj4 h ASP 75 N 0.45 0.31 -0.45 1.72 3.32 -1.48 0.37 116.42 120.66 2jj4 h ASP 75 Ca 0.12 0.11 -0.07 0.00 0.02 0.00 0.00 57.03 57.21 2jj4 h ASP 75 Cb 0.06 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2jj4 h ASP 75 CO -0.02 0.11 0.01 0.11 -1.72 0.00 0.00 179.24 177.73 2jj4 h LYS 76 N 0.46 0.79 0.77 3.56 6.56 -0.93 -2.64 116.57 125.14 2jj4 h LYS 76 Ca 0.43 -0.25 -0.04 0.00 -1.06 0.00 0.00 60.65 59.73 2jj4 h LYS 76 Cb 0.65 -0.07 0.01 0.00 -0.57 0.00 0.00 32.23 32.25 2jj4 h LYS 76 CO -0.41 0.84 -0.37 0.82 -2.06 0.00 0.00 179.45 178.28 2jj4 h ILE 77 N 0.63 0.07 -0.63 1.86 2.04 -0.47 -2.76 117.51 118.26 2jj4 h ILE 77 Ca 0.13 -0.21 0.12 0.00 1.00 0.00 0.00 64.86 65.90 2jj4 h ILE 77 Cb 0.48 0.09 -0.09 0.00 -0.74 0.00 0.00 36.82 36.56 2jj4 h ILE 77 CO 0.02 0.01 0.13 0.58 0.00 0.00 0.00 178.15 178.89 2jj4 h VAL 78 N -1.23 0.61 -0.32 1.67 2.07 -1.02 0.36 116.25 118.38 2jj4 h VAL 78 Ca -0.11 -0.09 0.07 0.00 0.82 0.00 0.00 66.70 67.40 2jj4 h VAL 78 Cb 0.80 0.33 -0.07 0.00 -1.52 0.00 0.00 31.29 30.84 2jj4 h VAL 78 CO 0.17 0.05 -0.11 0.00 0.02 0.00 0.00 177.57 177.69 2jj4 h ALA 79 N 1.51 0.16 -0.17 1.67 0.00 -1.52 -1.81 119.26 119.10 2jj4 h ALA 79 Ca 0.33 0.12 -0.16 0.00 0.00 0.00 0.00 54.91 55.21 2jj4 h ALA 79 Cb 0.51 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2jj4 h ALA 79 CO -0.43 -0.50 -0.54 0.00 0.00 0.00 0.00 179.25 177.78 2jj4 h ALA 80 N 1.25 0.73 -0.02 0.00 0.00 -0.74 -3.33 119.26 117.15 2jj4 h ALA 80 Ca 0.16 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2jj4 h ALA 80 Cb 0.29 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2jj4 h ALA 80 CO -0.36 0.69 -0.16 0.00 0.00 0.00 0.00 179.25 179.42 2jj4 n ALA 81 N -2.51 2.86 -2.41 0.00 0.00 0.11 -4.71 120.51 113.85 2jj4 n ALA 81 Ca -0.03 -0.56 -0.38 0.00 0.00 0.00 0.00 53.44 52.47 2jj4 n ALA 81 Cb 0.60 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 19.02 2jj4 n ALA 81 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jj4 s ARG 82 N -2.21 4.03 -0.00 0.00 3.00 -0.71 -4.81 118.95 118.26 2jj4 s ARG 82 Ca 0.28 0.54 0.03 0.00 0.00 0.00 0.00 55.73 56.59 2jj4 s ARG 82 Cb 0.20 -3.22 -0.05 0.00 0.00 0.00 0.00 34.95 31.88 2jj4 s ARG 82 CO 0.41 0.67 0.10 0.25 0.00 0.00 0.00 175.30 176.73 2jj4 n THR 83 N 1.76 0.00 -0.68 0.02 -2.24 -1.26 -5.00 114.28 106.87 2jj4 n THR 83 Ca -0.12 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2jj4 n THR 83 Cb 0.52 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 2jj4 n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jj4 n GLY 84 N 1.91 1.51 3.88 3.38 0.00 -1.26 -5.02 105.19 109.58 2jj4 n GLY 84 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2jj4 n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jj4 s GLU 85 N -0.05 3.71 -0.27 1.61 0.41 -1.26 -5.00 118.70 117.84 2jj4 s GLU 85 Ca 0.00 0.09 -0.41 0.00 -0.41 0.00 0.00 54.97 54.24 2jj4 s GLU 85 Cb 0.00 -2.93 -0.17 0.00 -1.78 0.00 0.00 34.13 29.25 2jj4 s GLU 85 CO 0.00 0.52 1.65 -0.89 -0.49 0.00 0.00 175.26 176.05 2jj4 n ILE 86 N 0.61 0.20 -0.32 -1.63 5.41 -1.26 -2.99 119.36 119.38 2jj4 n ILE 86 Ca -0.06 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.65 2jj4 n ILE 86 Cb 0.52 -1.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.46 2jj4 n ILE 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2jj4 n GLY 87 N 3.88 1.43 0.22 7.39 0.00 -1.26 -4.50 105.19 112.35 2jj4 n GLY 87 Ca 0.26 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 46.27 2jj4 n GLY 87 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2jj4 h ASP 88 N 0.00 0.00 -5.00 1.61 5.19 -1.91 -3.44 116.42 112.87 2jj4 h ASP 88 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2jj4 h ASP 88 Cb 0.15 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.66 2jj4 h ASP 88 CO 0.00 0.22 0.00 0.61 -3.12 0.00 0.00 179.24 176.95 2jj4 n GLY 89 N 0.27 -0.06 2.91 2.75 0.00 -1.26 -3.88 105.19 105.92 2jj4 n GLY 89 Ca 0.00 -2.29 -0.12 0.00 0.00 0.00 0.00 46.02 43.61 2jj4 n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jj4 s LYS 90 N -0.92 0.16 -0.14 1.61 3.01 -1.15 -5.00 119.74 117.32 2jj4 s LYS 90 Ca 0.00 -0.17 -0.08 0.00 -1.01 0.00 0.00 55.97 54.72 2jj4 s LYS 90 Cb 0.00 -0.09 -0.04 0.00 -1.01 0.00 0.00 37.83 36.69 2jj4 s LYS 90 CO 0.00 0.02 0.13 0.42 0.51 0.00 0.00 175.35 176.43 2jj4 s ILE 91 N -0.31 5.46 -0.07 2.17 1.01 -1.26 -2.47 121.20 125.74 2jj4 s ILE 91 Ca -0.02 0.20 0.04 0.00 0.00 0.00 0.00 60.65 60.86 2jj4 s ILE 91 Cb -0.02 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 39.05 2jj4 s ILE 91 CO -0.00 0.58 -0.19 -0.36 0.00 0.00 0.00 174.94 174.97 2jj4 s PHE 92 N -0.72 2.01 -0.15 3.97 0.40 0.87 -4.97 117.98 119.38 2jj4 s PHE 92 Ca 0.13 -0.71 -0.01 0.00 -0.60 0.00 0.00 56.93 55.74 2jj4 s PHE 92 Cb -0.12 -1.37 -0.01 0.00 0.51 0.00 0.00 43.02 42.03 2jj4 s PHE 92 CO 0.03 -0.29 -0.11 0.08 0.70 0.00 0.00 175.22 175.63 2jj4 s VAL 93 N 0.29 3.12 0.10 -0.44 1.01 -1.26 -0.23 120.40 122.98 2jj4 s VAL 93 Ca -0.12 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.26 2jj4 s VAL 93 Cb -0.15 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 2jj4 s VAL 93 CO 0.05 0.51 -0.08 -0.94 0.00 0.00 0.00 175.10 174.64 2jj4 s SER 94 N 0.59 1.24 0.41 3.32 1.04 -0.73 -4.95 113.70 114.63 2jj4 s SER 94 Ca -0.07 -0.92 -0.24 0.00 0.48 0.00 0.00 55.95 55.20 2jj4 s SER 94 Cb -0.15 0.06 -0.09 0.00 0.10 0.00 0.00 66.02 65.94 2jj4 s SER 94 CO 0.03 -0.38 1.06 -2.16 0.98 0.00 0.00 173.24 172.77 2jj4 s PRO 95 N -3.39 4.09 -0.07 4.02 0.04 -1.26 0.13 135.00 138.55 2jj4 s PRO 95 Ca 0.09 1.54 0.02 0.00 0.04 0.00 0.00 61.00 62.69 2jj4 s PRO 95 Cb 0.02 -2.50 0.01 0.00 0.04 0.00 0.00 34.50 32.08 2jj4 s PRO 95 CO -0.03 -0.21 -0.13 0.08 0.04 0.00 0.00 177.00 176.75 2jj4 s VAL 96 N -1.66 1.24 -0.10 -0.36 1.01 0.56 -4.69 120.40 116.39 2jj4 s VAL 96 Ca 0.59 -0.53 -0.18 0.00 0.00 0.00 0.00 61.98 61.86 2jj4 s VAL 96 Cb -0.22 -1.13 -0.27 0.00 0.00 0.00 0.00 36.38 34.75 2jj4 s VAL 96 CO 0.28 0.38 0.61 0.44 0.00 0.00 0.00 175.10 176.81 2jj4 h ASP 97 N 7.05 0.36 -4.54 3.32 3.32 -1.94 -3.31 116.42 120.67 2jj4 h ASP 97 Ca -0.30 -0.86 -0.15 0.00 0.02 0.00 0.00 57.03 55.74 2jj4 h ASP 97 Cb 1.19 -0.12 -0.23 0.00 0.22 0.00 0.00 39.33 40.40 2jj4 h ASP 97 CO 0.47 1.54 -0.46 -1.58 -1.72 0.00 0.00 179.24 177.50 2jj4 s GLN 98 N -2.45 0.42 -0.21 3.56 0.74 -1.26 -4.48 119.66 115.98 2jj4 s GLN 98 Ca -0.19 -0.11 -0.02 0.00 0.05 0.00 0.00 55.36 55.09 2jj4 s GLN 98 Cb 0.03 0.18 0.06 0.00 1.10 0.00 0.00 33.01 34.39 2jj4 s GLN 98 CO 0.76 -0.09 0.02 0.99 -0.55 0.00 0.00 175.29 176.42 2jj4 s THR 99 N -0.82 0.80 -0.22 -0.34 2.01 -0.69 -4.94 115.64 111.45 2jj4 s THR 99 Ca -0.09 -0.77 -0.04 0.00 0.31 0.00 0.00 61.69 61.10 2jj4 s THR 99 Cb -0.05 -1.26 -0.01 0.00 0.01 0.00 0.00 72.50 71.19 2jj4 s THR 99 CO 0.01 -0.20 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.06 2jj4 s ILE 100 N 1.73 3.31 -0.23 1.82 -1.09 -1.26 -0.88 121.20 124.59 2jj4 s ILE 100 Ca -0.02 -0.52 -0.26 0.00 -2.23 0.00 0.00 60.65 57.63 2jj4 s ILE 100 Cb -0.18 -2.50 -0.00 0.00 -1.58 0.00 0.00 42.46 38.20 2jj4 s ILE 100 CO -0.08 0.43 0.88 0.00 -1.23 0.00 0.00 174.94 174.94 2jj4 s ARG 101 N 1.43 4.21 0.20 2.79 1.70 -1.04 -4.97 118.95 123.27 2jj4 s ARG 101 Ca 0.05 1.05 -0.04 0.00 -0.47 0.00 0.00 55.73 56.32 2jj4 s ARG 101 Cb -0.14 -3.64 0.13 0.00 -0.57 0.00 0.00 34.95 30.73 2jj4 s ARG 101 CO -0.03 -0.53 1.55 0.82 -1.08 0.00 0.00 175.30 176.02 2jj4 h ILE 102 N 5.42 1.29 -0.10 4.99 2.04 -1.94 0.28 117.51 129.49 2jj4 h ILE 102 Ca -0.22 -1.59 -0.10 0.00 1.00 0.00 0.00 64.86 63.94 2jj4 h ILE 102 Cb 1.09 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 2jj4 h ILE 102 CO 0.90 0.51 -0.40 0.08 0.00 0.00 0.00 178.15 179.24 2jj4 h ARG 103 N 0.55 0.22 0.00 2.37 0.11 -2.02 -3.39 114.38 112.22 2jj4 h ARG 103 Ca 0.04 -0.10 0.00 0.00 0.10 0.00 0.00 59.98 60.02 2jj4 h ARG 103 Cb 0.95 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.02 2jj4 h ARG 103 CO 0.09 0.59 -0.22 0.25 0.10 0.00 0.00 179.97 180.78 2jj4 n THR 104 N -4.04 0.38 0.00 0.08 -2.24 -1.18 -5.06 114.28 102.22 2jj4 n THR 104 Ca -0.01 0.35 0.00 0.00 -2.27 0.00 0.00 64.05 62.12 2jj4 n THR 104 Cb 0.47 -1.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.07 2jj4 n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jj4 n GLY 105 N 1.84 -0.06 3.54 3.38 0.00 0.97 -5.05 105.19 109.81 2jj4 n GLY 105 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 2jj4 n GLY 105 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jj4 n GLU 106 N 0.00 0.71 -2.98 1.61 2.13 -1.25 -4.61 120.64 116.26 2jj4 n GLU 106 Ca 0.00 -0.06 -0.39 0.00 0.66 0.00 0.00 57.16 57.37 2jj4 n GLU 106 Cb 0.00 -2.90 -0.06 0.00 0.27 0.00 0.00 31.44 28.75 2jj4 n GLU 106 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 2jj4 s LYS 107 N 8.49 4.57 0.03 5.31 0.00 -1.25 -2.48 119.74 134.40 2jj4 s LYS 107 Ca 1.09 1.16 0.05 0.00 0.00 0.00 0.00 55.97 58.26 2jj4 s LYS 107 Cb -0.47 -3.25 -0.02 0.00 0.00 0.00 0.00 37.83 34.09 2jj4 s LYS 107 CO 0.32 0.56 -0.14 -0.80 0.00 0.00 0.00 175.35 175.29 2jj4 s ASN 108 N -1.17 1.64 0.00 0.03 -0.87 -0.06 -4.93 114.94 109.57 2jj4 s ASN 108 Ca 0.36 -0.41 0.00 0.00 -1.57 0.00 0.00 52.86 51.24 2jj4 s ASN 108 Cb -0.23 -0.12 0.00 0.00 -0.02 0.00 0.00 41.25 40.88 2jj4 s ASN 108 CO 0.26 0.06 0.00 0.00 -2.57 0.00 0.00 177.10 174.86 2jj4 n ALA 109 N 2.10 0.01 -1.21 0.60 0.00 -1.26 -1.70 120.51 119.04 2jj4 n ALA 109 Ca -0.17 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.43 2jj4 n ALA 109 Cb 0.55 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.95 2jj4 n ALA 109 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jj4 n ASP 110 N -1.42 -7.24 -0.77 0.00 10.43 -1.26 -4.72 116.55 111.57 2jj4 n ASP 110 Ca 0.00 0.73 0.10 0.00 2.57 0.00 0.00 54.79 58.18 2jj4 n ASP 110 Cb 0.00 -3.82 0.08 0.00 1.84 0.00 0.00 41.12 39.22 2jj4 n ASP 110 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13