#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jj2 s SER 2 N 0.00 5.84 0.11 8.00 1.04 -1.26 -5.00 113.70 122.42 1jj2 s SER 2 Ca 0.00 0.18 -0.25 0.00 0.48 0.00 0.00 55.95 56.36 1jj2 s SER 2 Cb 0.00 -1.45 -0.09 0.00 0.10 0.00 0.00 66.02 64.58 1jj2 s SER 2 CO 0.00 -0.67 1.67 0.50 0.98 0.00 0.00 173.24 175.72 1jj2 h LYS 3 N 0.48 -0.32 -0.63 4.02 3.64 -2.08 -2.17 116.57 119.52 1jj2 h LYS 3 Ca -0.46 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.07 1jj2 h LYS 3 Cb 1.26 0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 33.05 1jj2 h LYS 3 CO 0.56 -0.21 0.08 0.87 -2.27 0.00 0.00 179.45 178.48 1jj2 h LYS 4 N -0.33 0.19 -0.01 1.90 1.57 -2.02 -0.01 116.57 117.86 1jj2 h LYS 4 Ca 0.03 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1jj2 h LYS 4 Cb 0.35 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 1jj2 h LYS 4 CO -0.10 0.12 0.09 -0.22 -0.57 0.00 0.00 179.45 178.78 1jj2 h LYS 5 N 0.19 0.00 -0.25 3.15 1.63 -1.79 -2.04 116.57 117.46 1jj2 h LYS 5 Ca 0.34 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.14 1jj2 h LYS 5 Cb 0.54 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 1jj2 h LYS 5 CO -0.48 0.00 0.00 0.54 -3.45 0.00 0.00 179.45 176.06 1jj2 n ARG 6 N -3.09 2.38 0.21 1.90 1.74 -0.02 -4.47 116.66 115.30 1jj2 n ARG 6 Ca -0.03 -2.06 0.08 0.00 -0.77 0.00 0.00 57.85 55.07 1jj2 n ARG 6 Cb 0.16 -1.49 0.36 0.00 -1.02 0.00 0.00 32.46 30.47 1jj2 n ARG 6 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1jj2 h GLN 7 N 4.35 0.00 -6.20 5.56 1.08 -1.36 -3.45 115.11 115.09 1jj2 h GLN 7 Ca 0.00 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.65 1jj2 h GLN 7 Cb 0.95 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.39 1jj2 h GLN 7 CO 0.00 0.28 1.35 1.03 -0.95 0.00 0.00 178.83 180.53 1jj2 s ARG 8 N -3.51 3.71 0.00 1.46 1.81 -1.26 -1.16 118.95 120.00 1jj2 s ARG 8 Ca 0.01 2.38 0.00 0.00 -1.72 0.00 0.00 55.73 56.40 1jj2 s ARG 8 Cb 0.10 -4.26 0.00 0.00 -0.45 0.00 0.00 34.95 30.34 1jj2 s ARG 8 CO 0.66 -1.45 0.00 0.41 -0.68 0.00 0.00 175.30 174.25 1jj2 n GLY 9 N 5.07 1.96 0.01 -3.53 0.00 -1.26 -4.94 105.19 102.48 1jj2 n GLY 9 Ca 0.24 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.40 1jj2 n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jj2 n SER 10 N 0.00 0.05 0.00 1.61 3.41 -0.31 -4.94 113.62 113.45 1jj2 n SER 10 Ca 0.00 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1jj2 n SER 10 Cb 0.00 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 1jj2 n SER 10 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1jj2 n ARG 11 N -1.39 0.00 -0.04 4.33 0.63 -1.26 -4.12 116.66 114.81 1jj2 n ARG 11 Ca 0.10 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.16 1jj2 n ARG 11 Cb 0.30 0.00 0.28 0.00 0.45 0.00 0.00 32.46 33.49 1jj2 n ARG 11 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1jj2 n THR 12 N 0.00 0.11 -4.26 5.15 -2.24 -1.26 -4.97 114.28 106.81 1jj2 n THR 12 Ca 0.00 -0.45 -0.34 0.00 -2.27 0.00 0.00 64.05 60.99 1jj2 n THR 12 Cb 0.00 0.97 -0.06 0.00 -2.10 0.00 0.00 70.33 69.15 1jj2 n THR 12 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1jj2 n HIS 13 N 0.90 -1.47 -0.86 4.78 8.25 -1.26 -0.77 115.22 124.80 1jj2 n HIS 13 Ca 0.17 0.71 0.00 0.00 -0.26 0.00 0.00 57.72 58.34 1jj2 n HIS 13 Cb 0.50 -2.85 0.00 0.00 1.12 0.00 0.00 29.99 28.75 1jj2 n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jj2 n GLY 14 N -1.77 1.02 0.10 -1.41 0.00 -1.26 -4.90 105.19 96.97 1jj2 n GLY 14 Ca -0.11 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.06 1jj2 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jj2 n GLY 15 N -2.00 -0.83 4.83 -0.02 0.00 0.05 -5.03 105.19 102.18 1jj2 n GLY 15 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1jj2 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jj2 n GLY 16 N 1.08 0.43 3.64 -0.02 0.00 -1.26 -4.73 105.19 104.33 1jj2 n GLY 16 Ca 0.21 -1.19 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 1jj2 n GLY 16 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jj2 n SER 17 N 2.41 1.61 0.00 1.61 2.88 -1.26 -4.80 113.62 116.07 1jj2 n SER 17 Ca 0.00 1.02 0.07 0.00 -1.33 0.00 0.00 58.87 58.64 1jj2 n SER 17 Cb 0.00 -1.41 0.41 0.00 -0.75 0.00 0.00 64.21 62.46 1jj2 n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jj2 n HIS 18 N -0.60 0.00 1.28 0.66 -0.00 -1.26 -1.70 115.22 113.60 1jj2 n HIS 18 Ca 0.09 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.95 1jj2 n HIS 18 Cb 0.41 -0.14 0.47 0.00 -0.00 0.00 0.00 29.99 30.72 1jj2 n HIS 18 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1jj2 n LYS 19 N -1.14 0.69 0.01 -1.40 5.02 -1.26 -4.54 118.16 115.53 1jj2 n LYS 19 Ca 0.09 -0.34 -0.01 0.00 -2.02 0.00 0.00 58.31 56.04 1jj2 n LYS 19 Cb 0.08 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.60 1jj2 n LYS 19 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1jj2 h ASN 20 N 0.82 -0.04 -0.40 4.39 2.35 -1.63 -3.42 115.58 117.65 1jj2 h ASN 20 Ca 0.00 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.45 1jj2 h ASN 20 Cb 0.44 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.80 1jj2 h ASN 20 CO 0.00 0.09 0.99 0.54 -1.65 0.00 0.00 177.43 177.39 1jj2 n ARG 21 N -2.78 1.41 0.00 0.81 1.74 -1.26 -4.75 116.66 111.83 1jj2 n ARG 21 Ca -0.01 -2.35 0.00 0.00 -0.77 0.00 0.00 57.85 54.72 1jj2 n ARG 21 Cb 0.02 -3.73 0.00 0.00 -1.02 0.00 0.00 32.46 27.73 1jj2 n ARG 21 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1jj2 n ARG 22 N 8.21 0.00 0.00 5.56 1.74 -1.26 -5.15 116.66 125.76 1jj2 n ARG 22 Ca 0.45 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 1jj2 n ARG 22 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.90 1jj2 n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jj2 n GLY 23 N 5.00 0.97 0.15 -0.13 0.00 -1.26 -4.92 105.19 104.99 1jj2 n GLY 23 Ca 0.00 -1.78 0.11 0.00 0.00 0.00 0.00 46.02 44.35 1jj2 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jj2 n ALA 24 N -3.00 1.19 0.21 4.61 0.00 -1.26 -2.33 120.51 119.93 1jj2 n ALA 24 Ca 0.00 0.16 0.05 0.00 0.00 0.00 0.00 53.44 53.66 1jj2 n ALA 24 Cb 0.00 -1.32 0.50 0.00 0.00 0.00 0.00 19.45 18.64 1jj2 n ALA 24 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1jj2 h GLY 25 N 0.54 0.04 1.89 0.00 0.00 -1.92 -0.12 103.07 103.50 1jj2 h GLY 25 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1jj2 h GLY 25 CO 0.00 0.02 0.00 1.57 0.00 0.00 0.00 176.54 178.13 1jj2 n HIS 26 N -4.35 0.00 0.00 5.60 -0.00 -0.99 -2.18 115.22 113.31 1jj2 n HIS 26 Ca -0.02 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.71 1jj2 n HIS 26 Cb 0.23 -0.44 0.04 0.00 -0.00 0.00 0.00 29.99 29.81 1jj2 n HIS 26 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1jj2 n ARG 27 N -1.44 1.96 -2.37 1.57 1.74 -0.22 -4.98 116.66 112.91 1jj2 n ARG 27 Ca 0.05 -1.39 -0.13 0.00 -0.77 0.00 0.00 57.85 55.62 1jj2 n ARG 27 Cb 0.19 -1.08 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 1jj2 n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jj2 n GLY 28 N -0.08 -0.12 0.00 -0.13 0.00 -0.93 -4.80 105.19 99.14 1jj2 n GLY 28 Ca 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1jj2 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jj2 n GLY 29 N -1.07 2.48 3.75 -0.02 0.00 -0.27 -4.56 105.19 105.51 1jj2 n GLY 29 Ca -0.13 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 1jj2 n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jj2 s ARG 30 N -3.32 4.29 4.40 1.61 6.06 -1.26 -4.54 118.95 126.19 1jj2 s ARG 30 Ca 0.00 2.27 0.00 0.00 -2.50 0.00 0.00 55.73 55.50 1jj2 s ARG 30 Cb 0.00 -3.10 0.00 0.00 0.06 0.00 0.00 34.95 31.91 1jj2 s ARG 30 CO 0.00 -0.34 0.00 0.41 -2.50 0.00 0.00 175.30 172.87 1jj2 n GLY 31 N 1.72 3.06 1.15 8.12 0.00 -1.26 -1.82 105.19 116.16 1jj2 n GLY 31 Ca 0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 46.02 45.95 1jj2 n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jj2 n ASP 32 N 2.86 2.92 -4.76 1.61 8.00 -1.26 -4.93 116.55 121.00 1jj2 n ASP 32 Ca 0.00 -2.29 -0.41 0.00 0.71 0.00 0.00 54.79 52.80 1jj2 n ASP 32 Cb 0.00 -0.56 -0.01 0.00 -0.02 0.00 0.00 41.12 40.52 1jj2 n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jj2 s ALA 33 N -0.77 3.67 0.00 2.24 0.00 -0.76 -2.47 121.76 123.67 1jj2 s ALA 33 Ca 0.11 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1jj2 s ALA 33 Cb 0.09 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1jj2 s ALA 33 CO 0.02 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.27 1jj2 n GLY 34 N 1.73 0.74 0.00 0.00 0.00 -1.26 -4.77 105.19 101.64 1jj2 n GLY 34 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1jj2 n GLY 34 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1jj2 n ARG 35 N -2.40 0.00 0.00 1.61 -4.01 -1.03 -0.20 116.66 110.62 1jj2 n ARG 35 Ca 0.00 0.23 0.00 0.00 -1.04 0.00 0.00 57.85 57.04 1jj2 n ARG 35 Cb 0.00 -1.52 0.00 0.00 -3.04 0.00 0.00 32.46 27.90 1jj2 n ARG 35 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 1jj2 n ASP 36 N -1.21 0.26 0.00 2.89 5.75 -1.26 -4.01 116.55 118.97 1jj2 n ASP 36 Ca 0.00 -0.59 0.00 0.00 -0.01 0.00 0.00 54.79 54.19 1jj2 n ASP 36 Cb 0.02 0.54 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 1jj2 n ASP 36 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1jj2 n LYS 37 N -0.54 0.00 0.26 0.11 4.76 0.71 -4.78 118.16 118.69 1jj2 n LYS 37 Ca 0.00 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.58 1jj2 n LYS 37 Cb 0.02 0.00 0.68 0.00 -1.84 0.00 0.00 35.03 33.89 1jj2 n LYS 37 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 1jj2 h HIS 38 N 0.00 0.00 -0.69 2.13 2.07 -1.93 -3.19 115.15 113.53 1jj2 h HIS 38 Ca 0.00 0.00 -0.50 0.00 -2.85 0.00 0.00 60.37 57.02 1jj2 h HIS 38 Cb 0.00 0.00 -0.41 0.00 2.57 0.00 0.00 27.41 29.57 1jj2 h HIS 38 CO 0.00 0.12 -0.84 0.39 -3.07 0.00 0.00 177.93 174.53 1jj2 n GLU 39 N -3.41 3.35 0.16 5.12 1.02 -0.48 -4.79 120.64 121.60 1jj2 n GLU 39 Ca -0.01 -4.07 0.02 0.00 -0.02 0.00 0.00 57.16 53.08 1jj2 n GLU 39 Cb 0.30 -2.18 0.34 0.00 -0.02 0.00 0.00 31.44 29.88 1jj2 n GLU 39 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1jj2 h PHE 40 N 2.19 0.08 -1.58 -0.32 -5.15 -1.53 -3.38 116.94 107.25 1jj2 h PHE 40 Ca 0.30 -0.02 -0.70 0.00 -0.20 0.00 0.00 57.97 57.36 1jj2 h PHE 40 Cb 1.50 -0.02 0.05 0.00 0.22 0.00 0.00 35.95 37.70 1jj2 h PHE 40 CO 0.81 0.41 0.41 0.72 -2.00 0.00 0.00 178.31 178.66 1jj2 n HIS 41 N -4.12 1.41 -3.08 6.09 -0.00 -1.26 -2.54 115.22 111.72 1jj2 n HIS 41 Ca -0.02 0.69 -0.20 0.00 -0.00 0.00 0.00 57.72 58.20 1jj2 n HIS 41 Cb 0.39 -2.30 0.04 0.00 -0.00 0.00 0.00 29.99 28.12 1jj2 n HIS 41 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1jj2 n ASN 42 N 2.47 -5.61 -4.20 0.41 5.03 -1.26 -5.02 115.26 107.08 1jj2 n ASN 42 Ca 0.19 -0.31 -0.26 0.00 0.87 0.00 0.00 54.58 55.06 1jj2 n ASN 42 Cb 0.17 -4.38 -0.15 0.00 -1.02 0.00 0.00 39.78 34.40 1jj2 n ASN 42 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1jj2 s HIS 43 N -3.15 1.73 0.46 3.10 3.76 -1.05 -5.11 115.29 115.03 1jj2 s HIS 43 Ca 0.34 -0.33 -0.23 0.00 -0.15 0.00 0.00 55.06 54.68 1jj2 s HIS 43 Cb -0.15 -1.10 -0.07 0.00 1.11 0.00 0.00 32.58 32.37 1jj2 s HIS 43 CO 0.42 -0.02 1.22 -1.21 -0.85 0.00 0.00 174.74 174.30 1jj2 s GLU 44 N -0.54 3.72 0.86 1.40 2.02 -1.26 -4.95 118.70 119.96 1jj2 s GLU 44 Ca 0.07 1.92 -0.13 0.00 0.02 0.00 0.00 54.97 56.86 1jj2 s GLU 44 Cb -0.08 -2.47 0.06 0.00 0.10 0.00 0.00 34.13 31.74 1jj2 s GLU 44 CO -0.00 -0.63 0.81 -0.35 0.02 0.00 0.00 175.26 175.11 1jj2 n PRO 45 N -0.41 -0.08 -1.66 0.39 -0.04 -1.26 -4.99 135.00 126.95 1jj2 n PRO 45 Ca 0.07 0.04 -0.32 0.00 -0.04 0.00 0.00 63.50 63.25 1jj2 n PRO 45 Cb 0.47 -2.13 0.05 0.00 -0.04 0.00 0.00 33.50 31.85 1jj2 n PRO 45 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jj2 s LEU 46 N -3.38 3.26 0.00 1.53 1.43 -1.26 -5.00 118.68 115.26 1jj2 s LEU 46 Ca 0.65 1.82 0.00 0.00 -1.03 0.00 0.00 54.13 55.57 1jj2 s LEU 46 Cb -0.26 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.43 1jj2 s LEU 46 CO 0.59 -1.57 0.00 0.61 0.23 0.00 0.00 176.35 176.21 1jj2 n GLY 47 N -1.16 3.14 3.79 -3.19 0.00 -1.26 -5.10 105.19 101.41 1jj2 n GLY 47 Ca 0.09 -1.88 -0.30 0.00 0.00 0.00 0.00 46.02 43.93 1jj2 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jj2 s LYS 48 N -2.25 2.91 -0.21 1.61 1.02 -1.26 -5.12 119.74 116.44 1jj2 s LYS 48 Ca 0.00 -0.72 -0.10 0.00 0.02 0.00 0.00 55.97 55.17 1jj2 s LYS 48 Cb 0.00 -2.73 0.07 0.00 -0.52 0.00 0.00 37.83 34.66 1jj2 s LYS 48 CO 0.00 0.55 0.49 0.45 -0.92 0.00 0.00 175.35 175.92 1jj2 s SER 49 N -2.55 -0.61 0.65 2.83 0.15 -1.26 -5.14 113.70 107.77 1jj2 s SER 49 Ca 0.30 1.09 0.00 0.00 0.70 0.00 0.00 55.95 58.04 1jj2 s SER 49 Cb -0.12 1.09 0.00 0.00 -1.71 0.00 0.00 66.02 65.29 1jj2 s SER 49 CO 0.23 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.06 1jj2 n GLY 50 N 4.53 -0.57 3.48 9.45 0.00 -1.26 -5.00 105.19 115.82 1jj2 n GLY 50 Ca -0.19 -1.07 -0.11 0.00 0.00 0.00 0.00 46.02 44.65 1jj2 n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1jj2 s PHE 51 N 0.00 0.66 -0.02 1.61 -0.12 -1.26 -5.17 117.98 113.69 1jj2 s PHE 51 Ca 0.00 -0.97 0.05 0.00 -0.05 0.00 0.00 56.93 55.96 1jj2 s PHE 51 Cb 0.00 -0.03 -0.01 0.00 -0.63 0.00 0.00 43.02 42.35 1jj2 s PHE 51 CO 0.00 -0.94 -0.16 0.15 -0.05 0.00 0.00 175.22 174.22 1jj2 s LYS 52 N -3.89 1.40 0.23 1.99 1.02 -1.26 -5.13 119.74 114.11 1jj2 s LYS 52 Ca 0.28 -0.59 -0.13 0.00 0.02 0.00 0.00 55.97 55.55 1jj2 s LYS 52 Cb 0.01 -1.33 -0.08 0.00 -0.52 0.00 0.00 37.83 35.91 1jj2 s LYS 52 CO 0.12 0.33 0.62 1.03 -0.92 0.00 0.00 175.35 176.53 1jj2 s ARG 53 N -0.31 3.95 0.24 1.68 0.52 -1.26 -5.00 118.95 118.77 1jj2 s ARG 53 Ca 0.05 0.49 -0.31 0.00 -0.52 0.00 0.00 55.73 55.44 1jj2 s ARG 53 Cb -0.07 -2.68 -0.14 0.00 0.52 0.00 0.00 34.95 32.57 1jj2 s ARG 53 CO -0.00 0.32 1.20 -0.35 0.02 0.00 0.00 175.30 176.49 1jj2 n PRO 54 N 0.12 1.56 -0.35 3.54 -0.04 -1.26 -4.84 135.00 133.73 1jj2 n PRO 54 Ca -0.00 0.55 0.30 0.00 -0.04 0.00 0.00 63.50 64.31 1jj2 n PRO 54 Cb 0.52 -2.07 0.63 0.00 -0.04 0.00 0.00 33.50 32.55 1jj2 n PRO 54 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1jj2 h GLN 55 N 3.16 0.18 -0.62 0.54 4.20 -1.98 -0.47 115.11 120.12 1jj2 h GLN 55 Ca -0.43 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1jj2 h GLN 55 Cb 1.32 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.06 1jj2 h GLN 55 CO 0.68 0.12 0.00 0.36 -0.67 0.00 0.00 178.83 179.32 1jj2 n LYS 56 N -4.44 2.78 -0.00 1.46 2.85 -1.26 -3.28 118.16 116.27 1jj2 n LYS 56 Ca 0.27 -1.76 0.00 0.00 -1.05 0.00 0.00 58.31 55.78 1jj2 n LYS 56 Cb 1.12 -1.70 0.00 0.00 -0.65 0.00 0.00 35.03 33.80 1jj2 n LYS 56 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1jj2 n VAL 57 N 0.55 0.76 -3.81 0.58 0.31 -0.19 -5.01 118.33 111.52 1jj2 n VAL 57 Ca 0.16 -0.88 -0.37 0.00 -0.01 0.00 0.00 64.34 63.24 1jj2 n VAL 57 Cb 0.63 0.62 -0.06 0.00 -0.91 0.00 0.00 33.84 34.12 1jj2 n VAL 57 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1jj2 s GLN 58 N -0.76 3.53 -0.10 5.55 -0.21 -1.21 -5.00 119.66 121.46 1jj2 s GLN 58 Ca 0.00 -0.06 0.01 0.00 0.02 0.00 0.00 55.36 55.33 1jj2 s GLN 58 Cb 0.00 -3.17 -0.02 0.00 1.00 0.00 0.00 33.01 30.82 1jj2 s GLN 58 CO 0.00 0.74 -0.13 -1.21 -2.12 0.00 0.00 175.29 172.58 1jj2 s GLU 59 N -1.20 3.03 -0.36 2.91 2.02 -1.26 -5.07 118.70 118.77 1jj2 s GLU 59 Ca 0.19 -0.67 -0.05 0.00 0.02 0.00 0.00 54.97 54.45 1jj2 s GLU 59 Cb -0.13 -2.54 0.06 0.00 0.10 0.00 0.00 34.13 31.62 1jj2 s GLU 59 CO 0.08 0.39 0.12 -2.00 0.02 0.00 0.00 175.26 173.88 1jj2 s GLU 60 N -0.12 2.43 0.13 1.61 2.12 -1.26 -4.99 118.70 118.62 1jj2 s GLU 60 Ca -0.01 -1.38 -0.30 0.00 0.36 0.00 0.00 54.97 53.64 1jj2 s GLU 60 Cb -0.14 -3.46 -0.06 0.00 0.26 0.00 0.00 34.13 30.73 1jj2 s GLU 60 CO 0.03 -0.79 0.98 0.00 -0.54 0.00 0.00 175.26 174.95 1jj2 s ALA 61 N 1.31 3.27 -0.45 6.30 0.00 -1.26 -1.30 121.76 129.63 1jj2 s ALA 61 Ca 0.00 0.62 -0.20 0.00 0.00 0.00 0.00 51.96 52.38 1jj2 s ALA 61 Cb -0.21 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 19.65 1jj2 s ALA 61 CO 0.00 -0.04 0.61 0.00 0.00 0.00 0.00 175.76 176.33 1jj2 s ALA 62 N -0.13 3.36 0.39 0.00 0.00 0.18 -4.93 121.76 120.63 1jj2 s ALA 62 Ca 0.47 -1.35 0.08 0.00 0.00 0.00 0.00 51.96 51.15 1jj2 s ALA 62 Cb -0.25 -3.28 -0.00 0.00 0.00 0.00 0.00 23.12 19.59 1jj2 s ALA 62 CO 0.31 -1.81 0.49 0.95 0.00 0.00 0.00 175.76 175.70 1jj2 s THR 63 N 2.70 3.26 -0.28 0.00 -4.23 -1.26 0.03 115.64 115.86 1jj2 s THR 63 Ca 0.20 -1.09 -0.24 0.00 -1.18 0.00 0.00 61.69 59.38 1jj2 s THR 63 Cb -0.15 -3.12 0.12 0.00 1.34 0.00 0.00 72.50 70.69 1jj2 s THR 63 CO 0.17 -0.06 1.00 -0.51 -0.54 0.00 0.00 174.62 174.68 1jj2 s ILE 64 N -2.32 0.00 0.20 2.99 2.07 -0.87 -4.92 121.20 118.35 1jj2 s ILE 64 Ca 0.50 0.00 -0.11 0.00 -1.41 0.00 0.00 60.65 59.63 1jj2 s ILE 64 Cb -0.08 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.44 1jj2 s ILE 64 CO 0.31 0.00 0.55 -1.81 -1.91 0.00 0.00 174.94 172.08 1jj2 s ASP 65 N 0.42 6.70 0.39 4.50 1.01 -1.26 0.01 116.67 128.45 1jj2 s ASP 65 Ca 0.01 0.98 0.12 0.00 0.71 0.00 0.00 52.55 54.37 1jj2 s ASP 65 Cb -0.05 -2.25 0.92 0.00 1.01 0.00 0.00 42.92 42.55 1jj2 s ASP 65 CO -0.07 -0.00 1.89 -0.37 0.21 0.00 0.00 175.17 176.82 1jj2 h VAL 66 N 2.32 0.81 -0.78 -1.27 -1.51 -1.17 -0.85 116.25 113.80 1jj2 h VAL 66 Ca -0.48 -0.20 0.18 0.00 -1.23 0.00 0.00 66.70 64.97 1jj2 h VAL 66 Cb 1.18 0.19 -0.12 0.00 -2.13 0.00 0.00 31.29 30.41 1jj2 h VAL 66 CO 0.68 0.10 0.21 -0.09 -1.23 0.00 0.00 177.57 177.24 1jj2 h ARG 67 N 0.57 0.27 -0.23 5.19 2.43 -1.58 0.19 114.38 121.22 1jj2 h ARG 67 Ca 0.42 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.54 1jj2 h ARG 67 Cb 0.80 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1jj2 h ARG 67 CO -0.17 0.18 0.02 1.49 -1.51 0.00 0.00 179.97 179.98 1jj2 h GLU 68 N 0.28 0.40 0.78 0.20 4.81 -1.44 -0.16 114.58 119.45 1jj2 h GLU 68 Ca 0.45 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.53 1jj2 h GLU 68 Cb 0.80 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1jj2 h GLU 68 CO -0.53 0.56 -0.40 0.82 -0.73 0.00 0.00 179.01 178.73 1jj2 h ILE 69 N 0.19 0.19 -0.70 2.32 2.04 -1.29 -3.20 117.51 117.06 1jj2 h ILE 69 Ca 0.07 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.02 1jj2 h ILE 69 Cb 0.37 0.19 -0.07 0.00 -0.74 0.00 0.00 36.82 36.57 1jj2 h ILE 69 CO 0.01 0.00 0.35 -0.78 0.00 0.00 0.00 178.15 177.73 1jj2 h ASP 70 N -1.08 0.45 0.29 1.72 3.58 -0.64 -1.70 116.42 119.05 1jj2 h ASP 70 Ca -0.11 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.40 1jj2 h ASP 70 Cb 0.84 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.87 1jj2 h ASP 70 CO 0.16 0.26 0.00 -0.62 -2.88 0.00 0.00 179.24 176.16 1jj2 n GLU 71 N -4.87 0.11 -0.68 0.28 1.02 -0.08 -2.88 120.64 113.54 1jj2 n GLU 71 Ca 0.11 0.50 0.06 0.00 -0.02 0.00 0.00 57.16 57.80 1jj2 n GLU 71 Cb 0.26 -1.79 0.11 0.00 -0.02 0.00 0.00 31.44 30.01 1jj2 n GLU 71 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1jj2 n ASN 72 N -2.01 1.42 0.38 1.62 3.02 -0.66 -4.86 115.26 114.16 1jj2 n ASN 72 Ca 0.01 -2.96 -0.18 0.00 -0.03 0.00 0.00 54.58 51.42 1jj2 n ASN 72 Cb 0.10 -0.40 -0.09 0.00 -0.61 0.00 0.00 39.78 38.79 1jj2 n ASN 72 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1jj2 h VAL 73 N 3.17 0.30 -0.75 2.41 -1.51 -1.35 -0.70 116.25 117.82 1jj2 h VAL 73 Ca -0.06 -0.06 0.09 0.00 -1.23 0.00 0.00 66.70 65.44 1jj2 h VAL 73 Cb 1.28 0.32 -0.07 0.00 -2.13 0.00 0.00 31.29 30.69 1jj2 h VAL 73 CO 0.02 0.01 0.40 0.71 -1.23 0.00 0.00 177.57 177.48 1jj2 h THR 74 N -0.98 0.87 0.00 7.19 1.35 -1.89 -0.58 112.91 118.88 1jj2 h THR 74 Ca -0.10 -0.23 -0.02 0.00 -0.55 0.00 0.00 66.41 65.52 1jj2 h THR 74 Cb 0.73 0.14 -0.00 0.00 -1.73 0.00 0.00 68.15 67.29 1jj2 h THR 74 CO 0.16 0.12 -0.09 -0.07 -0.25 0.00 0.00 175.52 175.39 1jj2 h LEU 75 N 0.67 0.00 -3.95 3.87 3.38 -1.85 -2.88 115.31 114.55 1jj2 h LEU 75 Ca 0.36 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 58.01 1jj2 h LEU 75 Cb 0.36 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.99 1jj2 h LEU 75 CO -0.26 0.09 0.17 0.18 0.09 0.00 0.00 178.44 178.71 1jj2 n LEU 76 N -3.66 6.05 -0.26 1.67 4.77 -0.23 -4.63 117.00 120.73 1jj2 n LEU 76 Ca -0.02 -3.47 0.33 0.00 -0.03 0.00 0.00 56.01 52.82 1jj2 n LEU 76 Cb 0.20 -1.22 0.70 0.00 -2.33 0.00 0.00 43.42 40.77 1jj2 n LEU 76 CO 0.29 1.51 1.30 0.00 -1.33 0.00 0.00 177.39 179.16 1jj2 h ALA 77 N 2.37 2.96 -0.30 -1.18 0.00 -1.66 -0.46 119.26 121.00 1jj2 h ALA 77 Ca 0.27 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.90 1jj2 h ALA 77 Cb 0.99 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.76 1jj2 h ALA 77 CO 0.59 -1.46 0.20 0.00 0.00 0.00 0.00 179.25 178.59 1jj2 n ALA 78 N -2.59 5.15 -3.64 0.00 0.00 -1.26 -4.76 120.51 113.40 1jj2 n ALA 78 Ca 0.23 -1.42 -0.01 0.00 0.00 0.00 0.00 53.44 52.24 1jj2 n ALA 78 Cb 1.25 -1.49 -0.04 0.00 0.00 0.00 0.00 19.45 19.17 1jj2 n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jj2 s ASP 79 N 0.92 -1.13 0.00 0.00 1.01 -0.18 -5.15 116.67 112.14 1jj2 s ASP 79 Ca 0.31 1.56 0.00 0.00 0.71 0.00 0.00 52.55 55.13 1jj2 s ASP 79 Cb 0.20 2.25 0.00 0.00 1.01 0.00 0.00 42.92 46.39 1jj2 s ASP 79 CO -0.03 -0.22 0.00 0.47 0.21 0.00 0.00 175.17 175.60 1jj2 n ASP 80 N 5.39 0.00 -4.12 0.27 9.92 -1.25 -4.77 116.55 121.99 1jj2 n ASP 80 Ca -0.12 0.00 -0.23 0.00 -0.53 0.00 0.00 54.79 53.90 1jj2 n ASP 80 Cb 0.50 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.82 1jj2 n ASP 80 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1jj2 s VAL 81 N 0.00 1.20 0.00 2.53 1.01 -1.26 -2.04 120.40 121.84 1jj2 s VAL 81 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1jj2 s VAL 81 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.37 1jj2 s VAL 81 CO 0.00 0.34 0.00 0.00 0.00 0.00 0.00 175.10 175.44 1jj2 n ALA 82 N 2.78 0.00 0.31 5.51 0.00 -1.26 -4.90 120.51 122.94 1jj2 n ALA 82 Ca -0.15 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.34 1jj2 n ALA 82 Cb 0.55 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.24 1jj2 n ALA 82 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1jj2 h GLU 83 N 0.00 0.00 -6.61 0.00 4.11 -2.00 -3.50 114.58 106.58 1jj2 h GLU 83 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 58.95 1jj2 h GLU 83 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1jj2 h GLU 83 CO 0.00 0.00 -0.12 -0.06 0.07 0.00 0.00 179.01 178.90 1jj2 s PHE 89 N -3.91 3.51 -0.14 2.06 0.40 -0.53 -5.09 117.98 114.29 1jj2 s PHE 89 Ca -0.01 0.48 -0.02 0.00 -0.60 0.00 0.00 56.93 56.78 1jj2 s PHE 89 Cb 0.03 -2.00 0.04 0.00 0.51 0.00 0.00 43.02 41.60 1jj2 s PHE 89 CO 0.08 0.04 0.01 0.50 0.70 0.00 0.00 175.22 176.55 1jj2 s ARG 90 N -4.35 0.70 -0.03 0.44 3.52 -0.86 -1.34 118.95 117.04 1jj2 s ARG 90 Ca 0.42 -0.20 0.04 0.00 -0.13 0.00 0.00 55.73 55.86 1jj2 s ARG 90 Cb -0.10 -1.62 -0.00 0.00 -1.56 0.00 0.00 34.95 31.67 1jj2 s ARG 90 CO 0.37 -0.48 -0.15 0.54 -0.81 0.00 0.00 175.30 174.78 1jj2 s VAL 91 N 1.89 1.22 -0.59 7.11 0.11 -0.75 -3.79 120.40 125.61 1jj2 s VAL 91 Ca 0.02 -0.62 -0.22 0.00 -2.93 0.00 0.00 61.98 58.24 1jj2 s VAL 91 Cb -0.15 -1.05 0.06 0.00 -1.53 0.00 0.00 36.38 33.72 1jj2 s VAL 91 CO -0.07 0.36 0.85 -0.62 -3.33 0.00 0.00 175.10 172.28 1jj2 s ASP 92 N -0.01 6.23 0.29 3.54 -1.08 -1.26 -2.65 116.67 121.73 1jj2 s ASP 92 Ca -0.01 -0.87 0.03 0.00 -0.52 0.00 0.00 52.55 51.18 1jj2 s ASP 92 Cb -0.10 -2.38 0.74 0.00 -1.46 0.00 0.00 42.92 39.73 1jj2 s ASP 92 CO 0.01 -1.22 1.65 0.58 0.52 0.00 0.00 175.17 176.71 1jj2 h VAL 93 N 5.95 0.31 -0.45 1.11 2.07 -1.56 0.20 116.25 123.88 1jj2 h VAL 93 Ca -0.28 -0.07 0.13 0.00 0.82 0.00 0.00 66.70 67.30 1jj2 h VAL 93 Cb 1.08 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1jj2 h VAL 93 CO 1.10 0.04 0.60 0.03 0.02 0.00 0.00 177.57 179.35 1jj2 h ARG 94 N 0.21 0.00 -0.00 1.57 3.08 -1.92 0.88 114.38 118.20 1jj2 h ARG 94 Ca 0.57 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.62 1jj2 h ARG 94 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1jj2 h ARG 94 CO -0.66 0.00 -0.61 -0.25 -1.07 0.00 0.00 179.97 177.39 1jj2 n ASP 95 N -3.44 0.68 -0.09 7.04 8.00 0.69 -4.42 116.55 125.00 1jj2 n ASP 95 Ca 0.09 -0.49 -0.13 0.00 0.71 0.00 0.00 54.79 54.97 1jj2 n ASP 95 Cb 0.77 0.43 -0.05 0.00 -0.02 0.00 0.00 41.12 42.25 1jj2 n ASP 95 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1jj2 n VAL 96 N -1.42 1.48 -1.70 2.53 0.31 0.30 -4.97 118.33 114.85 1jj2 n VAL 96 Ca 0.06 0.07 -0.44 0.00 -0.01 0.00 0.00 64.34 64.02 1jj2 n VAL 96 Cb 0.34 -2.25 -0.03 0.00 -0.91 0.00 0.00 33.84 30.99 1jj2 n VAL 96 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1jj2 n VAL 97 N -4.49 0.26 -2.14 2.52 0.31 -0.75 -5.01 118.33 109.03 1jj2 n VAL 97 Ca -0.20 -0.07 -0.30 0.00 -0.01 0.00 0.00 64.34 63.76 1jj2 n VAL 97 Cb 0.50 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 1jj2 n VAL 97 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1jj2 s GLU 98 N 0.65 3.60 -0.64 5.55 2.02 -1.26 -3.56 118.70 125.06 1jj2 s GLU 98 Ca 0.74 0.58 0.00 0.00 0.02 0.00 0.00 54.97 56.31 1jj2 s GLU 98 Cb -0.58 -2.18 0.00 0.00 0.10 0.00 0.00 34.13 31.47 1jj2 s GLU 98 CO 0.39 -0.44 0.00 0.39 0.02 0.00 0.00 175.26 175.62 1jj2 n GLU 99 N -2.53 -0.94 0.00 1.61 1.02 -1.26 -4.85 120.64 113.69 1jj2 n GLU 99 Ca 0.04 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 1jj2 n GLU 99 Cb 0.54 -4.51 0.00 0.00 -0.02 0.00 0.00 31.44 27.45 1jj2 n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jj2 n ALA 100 N 1.11 2.50 -0.06 0.62 0.00 -1.23 -3.40 120.51 120.04 1jj2 n ALA 100 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.25 1jj2 n ALA 100 Cb 0.33 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.73 1jj2 n ALA 100 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jj2 n ASP 101 N -0.36 1.17 -0.63 0.00 8.00 -1.26 -4.47 116.55 119.00 1jj2 n ASP 101 Ca 0.00 0.20 -0.00 0.00 0.71 0.00 0.00 54.79 55.70 1jj2 n ASP 101 Cb 0.07 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 1jj2 n ASP 101 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1jj2 n ASP 102 N -3.75 1.52 -4.54 -2.24 5.75 -1.24 -4.76 116.55 107.28 1jj2 n ASP 102 Ca -0.23 -2.01 -0.33 0.00 -0.01 0.00 0.00 54.79 52.21 1jj2 n ASP 102 Cb 0.59 -0.50 -0.12 0.00 -1.03 0.00 0.00 41.12 40.06 1jj2 n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jj2 s ALA 103 N -0.76 2.86 0.11 2.12 0.00 -1.22 -4.93 121.76 119.95 1jj2 s ALA 103 Ca 0.00 -0.98 0.32 0.00 0.00 0.00 0.00 51.96 51.30 1jj2 s ALA 103 Cb 0.00 -1.08 1.28 0.00 0.00 0.00 0.00 23.12 23.32 1jj2 s ALA 103 CO 0.00 0.58 1.96 0.22 0.00 0.00 0.00 175.76 178.52 1jj2 h ASP 104 N 5.01 0.00 0.00 0.00 1.82 -1.49 -3.47 116.42 118.29 1jj2 h ASP 104 Ca -0.48 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.16 1jj2 h ASP 104 Cb 1.16 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.17 1jj2 h ASP 104 CO 0.52 0.05 0.00 0.00 -1.61 0.00 0.00 179.24 178.19 1jj2 n TYR 105 N -3.16 0.00 -4.02 0.28 0.18 -1.26 -5.02 117.16 104.16 1jj2 n TYR 105 Ca 0.00 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.44 1jj2 n TYR 105 Cb 0.33 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.19 1jj2 n TYR 105 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1jj2 s VAL 106 N -2.00 4.76 -0.05 -3.48 1.01 -1.26 0.48 120.40 119.87 1jj2 s VAL 106 Ca 0.00 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 61.98 1jj2 s VAL 106 Cb 0.00 -3.14 -0.00 0.00 0.00 0.00 0.00 36.38 33.23 1jj2 s VAL 106 CO 0.00 0.46 -0.18 -0.75 0.00 0.00 0.00 175.10 174.64 1jj2 s LYS 107 N 0.35 1.84 -0.21 2.72 2.20 0.10 -1.61 119.74 125.13 1jj2 s LYS 107 Ca 0.03 -0.62 -0.13 0.00 -0.36 0.00 0.00 55.97 54.89 1jj2 s LYS 107 Cb -0.12 -1.59 -0.05 0.00 -1.51 0.00 0.00 37.83 34.56 1jj2 s LYS 107 CO 0.00 0.24 0.26 0.08 -0.36 0.00 0.00 175.35 175.57 1jj2 s VAL 108 N 0.05 5.30 0.21 4.02 1.01 -0.18 -2.06 120.40 128.76 1jj2 s VAL 108 Ca -0.04 0.41 0.06 0.00 0.00 0.00 0.00 61.98 62.40 1jj2 s VAL 108 Cb -0.12 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1jj2 s VAL 108 CO 0.02 0.33 0.20 -0.76 0.00 0.00 0.00 175.10 174.89 1jj2 s LEU 109 N 1.02 3.91 -0.85 3.92 1.43 0.10 -2.73 118.68 125.47 1jj2 s LEU 109 Ca 0.13 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 1jj2 s LEU 109 Cb -0.14 -2.48 0.34 0.00 0.03 0.00 0.00 46.19 43.95 1jj2 s LEU 109 CO 0.05 0.01 1.67 0.61 0.23 0.00 0.00 176.35 178.92 1jj2 n GLY 110 N -0.81 5.88 3.74 -3.19 0.00 -1.26 -0.98 105.19 108.57 1jj2 n GLY 110 Ca -0.08 -2.60 -0.36 0.00 0.00 0.00 0.00 46.02 42.98 1jj2 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jj2 s ALA 111 N -4.05 3.65 0.00 4.61 0.00 -1.26 -4.61 121.76 120.10 1jj2 s ALA 111 Ca 0.45 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.86 1jj2 s ALA 111 Cb 0.29 -2.28 0.00 0.00 0.00 0.00 0.00 23.12 21.13 1jj2 s ALA 111 CO -0.22 0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.11 1jj2 n GLY 112 N 3.32 -1.75 3.91 0.00 0.00 -1.26 -2.07 105.19 107.35 1jj2 n GLY 112 Ca -0.14 -1.98 -0.20 0.00 0.00 0.00 0.00 46.02 43.70 1jj2 n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jj2 s GLN 113 N 0.00 2.68 -0.23 1.61 -0.21 -1.26 -4.80 119.66 117.45 1jj2 s GLN 113 Ca 0.00 -1.38 -0.03 0.00 0.02 0.00 0.00 55.36 53.97 1jj2 s GLN 113 Cb 0.00 -2.51 0.07 0.00 1.00 0.00 0.00 33.01 31.57 1jj2 s GLN 113 CO 0.00 -0.12 0.07 0.08 -2.12 0.00 0.00 175.29 173.19 1jj2 s VAL 114 N -2.39 0.47 -2.34 1.09 1.01 -1.26 -4.19 120.40 112.79 1jj2 s VAL 114 Ca 0.48 -0.74 0.23 0.00 0.00 0.00 0.00 61.98 61.94 1jj2 s VAL 114 Cb -0.06 -1.13 0.48 0.00 0.00 0.00 0.00 36.38 35.68 1jj2 s VAL 114 CO 0.29 -0.39 1.45 0.54 0.00 0.00 0.00 175.10 176.98 1jj2 n ARG 115 N 5.05 2.50 -4.42 2.72 1.74 -1.26 -4.76 116.66 118.24 1jj2 n ARG 115 Ca -0.07 -2.28 -0.20 0.00 -0.77 0.00 0.00 57.85 54.53 1jj2 n ARG 115 Cb 0.45 -1.52 -0.10 0.00 -1.02 0.00 0.00 32.46 30.27 1jj2 n ARG 115 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1jj2 s HIS 116 N -1.39 1.86 -0.34 -1.55 3.76 -1.26 -5.10 115.29 111.27 1jj2 s HIS 116 Ca 0.41 -0.93 -0.20 0.00 -0.15 0.00 0.00 55.06 54.19 1jj2 s HIS 116 Cb 0.23 -1.16 -0.00 0.00 1.11 0.00 0.00 32.58 32.75 1jj2 s HIS 116 CO 0.31 0.02 0.63 -1.83 -0.85 0.00 0.00 174.74 173.03 1jj2 s GLU 117 N -3.87 3.74 0.00 1.40 -1.05 -1.24 -4.75 118.70 112.93 1jj2 s GLU 117 Ca 0.34 0.13 0.08 0.00 -0.15 0.00 0.00 54.97 55.36 1jj2 s GLU 117 Cb 0.07 -3.79 -0.02 0.00 -0.44 0.00 0.00 34.13 29.96 1jj2 s GLU 117 CO 0.14 -0.69 -0.24 -0.51 0.95 0.00 0.00 175.26 174.91 1jj2 s LEU 118 N 2.68 2.08 -0.37 1.83 1.43 -1.26 -1.46 118.68 123.61 1jj2 s LEU 118 Ca 0.25 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 52.87 1jj2 s LEU 118 Cb -0.15 -1.20 0.10 0.00 0.03 0.00 0.00 46.19 44.98 1jj2 s LEU 118 CO 0.14 0.27 0.13 -0.89 0.23 0.00 0.00 176.35 176.23 1jj2 s THR 119 N -0.63 2.98 -0.17 5.49 2.01 -0.45 -0.80 115.64 124.08 1jj2 s THR 119 Ca 0.09 -2.03 -0.08 0.00 0.31 0.00 0.00 61.69 59.99 1jj2 s THR 119 Cb -0.09 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 1jj2 s THR 119 CO -0.00 -0.58 0.11 -0.76 -0.69 0.00 0.00 174.62 172.70 1jj2 s LEU 120 N 1.10 4.12 -0.19 4.42 1.43 -0.47 -1.80 118.68 127.28 1jj2 s LEU 120 Ca 0.07 0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.40 1jj2 s LEU 120 Cb -0.21 -2.04 0.01 0.00 0.03 0.00 0.00 46.19 43.98 1jj2 s LEU 120 CO -0.05 0.24 -0.14 -0.63 0.23 0.00 0.00 176.35 176.00 1jj2 s ILE 121 N -0.02 2.53 0.31 -0.59 1.01 -1.08 0.11 121.20 123.46 1jj2 s ILE 121 Ca 0.09 -0.78 -0.12 0.00 0.00 0.00 0.00 60.65 59.83 1jj2 s ILE 121 Cb -0.12 -2.10 0.02 0.00 0.01 0.00 0.00 42.46 40.27 1jj2 s ILE 121 CO 0.00 0.50 0.59 0.00 0.00 0.00 0.00 174.94 176.03 1jj2 s ALA 122 N 1.35 -0.28 -0.60 9.38 0.00 -1.06 -1.22 121.76 129.32 1jj2 s ALA 122 Ca 0.05 -0.91 0.25 0.00 0.00 0.00 0.00 51.96 51.35 1jj2 s ALA 122 Cb -0.13 0.96 0.60 0.00 0.00 0.00 0.00 23.12 24.55 1jj2 s ALA 122 CO -0.09 -0.90 1.70 -0.44 0.00 0.00 0.00 175.76 176.03 1jj2 h ASP 123 N 2.12 0.00 -4.44 0.00 3.32 -1.63 -1.34 116.42 114.44 1jj2 h ASP 123 Ca -0.27 -0.00 0.11 0.00 0.02 0.00 0.00 57.03 56.90 1jj2 h ASP 123 Cb 1.25 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.62 1jj2 h ASP 123 CO 0.35 0.00 0.54 -0.62 -1.72 0.00 0.00 179.24 177.80 1jj2 s ASP 124 N -5.27 -0.34 0.05 6.45 2.15 -1.05 -4.10 116.67 114.57 1jj2 s ASP 124 Ca 0.09 0.13 -0.04 0.00 0.43 0.00 0.00 52.55 53.16 1jj2 s ASP 124 Cb 0.09 0.33 -0.02 0.00 -0.30 0.00 0.00 42.92 43.02 1jj2 s ASP 124 CO 0.63 -0.49 0.06 -0.36 -0.17 0.00 0.00 175.17 174.84 1jj2 s PHE 125 N -2.40 0.33 0.19 -5.34 0.40 -1.26 -1.01 117.98 108.89 1jj2 s PHE 125 Ca 0.03 -0.76 0.04 0.00 -0.60 0.00 0.00 56.93 55.64 1jj2 s PHE 125 Cb -0.01 -0.23 -0.03 0.00 0.51 0.00 0.00 43.02 43.26 1jj2 s PHE 125 CO -0.05 -0.41 0.27 -1.54 0.70 0.00 0.00 175.22 174.19 1jj2 s SER 126 N -2.60 6.06 0.16 1.36 1.04 -1.11 -4.96 113.70 113.65 1jj2 s SER 126 Ca 0.02 0.02 -0.24 0.00 0.48 0.00 0.00 55.95 56.23 1jj2 s SER 126 Cb 0.04 -1.73 0.05 0.00 0.10 0.00 0.00 66.02 64.47 1jj2 s SER 126 CO -0.08 0.01 1.58 -0.33 0.98 0.00 0.00 173.24 175.40 1jj2 h GLU 127 N 1.82 -0.25 -1.00 4.02 5.08 -2.00 -0.03 114.58 122.21 1jj2 h GLU 127 Ca -0.49 0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.07 1jj2 h GLU 127 Cb 1.21 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 30.42 1jj2 h GLU 127 CO 0.64 -0.17 0.61 0.78 -1.00 0.00 0.00 179.01 179.88 1jj2 h GLY 128 N -0.26 1.70 0.87 -3.84 0.00 -1.95 0.25 103.07 99.84 1jj2 h GLY 128 Ca 0.17 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 1jj2 h GLY 128 CO -0.59 -0.04 0.01 0.00 0.00 0.00 0.00 176.54 175.91 1jj2 h ALA 129 N 1.64 0.38 0.32 3.60 0.00 -1.29 -2.14 119.26 121.76 1jj2 h ALA 129 Ca 0.57 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1jj2 h ALA 129 Cb 0.90 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1jj2 h ALA 129 CO -0.36 0.11 -0.15 0.00 0.00 0.00 0.00 179.25 178.85 1jj2 h ARG 130 N 0.28 -0.42 -0.60 0.00 3.08 -0.31 -1.17 114.38 115.25 1jj2 h ARG 130 Ca 0.08 0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.28 1jj2 h ARG 130 Cb 0.42 0.09 -0.10 0.00 0.08 0.00 0.00 29.97 30.46 1jj2 h ARG 130 CO 0.01 -0.15 0.03 0.93 -1.07 0.00 0.00 179.97 179.72 1jj2 h GLU 131 N -0.64 0.15 -0.16 0.04 5.08 -1.03 0.23 114.58 118.24 1jj2 h GLU 131 Ca -0.04 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1jj2 h GLU 131 Cb 0.46 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1jj2 h GLU 131 CO 0.07 0.10 0.05 0.87 -1.00 0.00 0.00 179.01 179.10 1jj2 h LYS 132 N 0.15 0.25 0.00 2.33 1.57 -1.32 0.18 116.57 119.72 1jj2 h LYS 132 Ca 0.31 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 59.00 1jj2 h LYS 132 Cb 0.50 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1jj2 h LYS 132 CO -0.48 0.37 -0.19 0.28 -0.57 0.00 0.00 179.45 178.86 1jj2 h VAL 133 N 0.08 0.98 0.16 0.50 2.07 -0.53 -2.48 116.25 117.02 1jj2 h VAL 133 Ca 0.05 -0.69 -0.30 0.00 0.82 0.00 0.00 66.70 66.59 1jj2 h VAL 133 Cb 0.23 1.39 0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1jj2 h VAL 133 CO -0.00 0.19 -1.45 -0.33 0.02 0.00 0.00 177.57 176.00 1jj2 h GLU 134 N 0.00 0.33 -0.15 1.57 5.08 -0.86 0.67 114.58 121.23 1jj2 h GLU 134 Ca -0.00 -0.57 0.04 0.00 -1.00 0.00 0.00 59.36 57.83 1jj2 h GLU 134 Cb 0.37 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1jj2 h GLU 134 CO 0.02 1.27 0.28 0.78 -1.00 0.00 0.00 179.01 180.37 1jj2 h GLY 135 N 0.21 0.00 -3.77 -3.84 0.00 -0.37 0.48 103.07 95.78 1jj2 h GLY 135 Ca -0.29 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.72 1jj2 h GLY 135 CO 0.13 0.00 0.40 0.00 0.00 0.00 0.00 176.54 177.08 1jj2 n ALA 136 N -2.16 4.90 -3.20 3.60 0.00 -0.96 -4.88 120.51 117.82 1jj2 n ALA 136 Ca 0.01 -2.45 -0.15 0.00 0.00 0.00 0.00 53.44 50.85 1jj2 n ALA 136 Cb 0.38 -1.32 0.05 0.00 0.00 0.00 0.00 19.45 18.56 1jj2 n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jj2 n GLY 137 N -0.47 -0.00 2.70 0.00 0.00 0.17 -3.64 105.19 103.95 1jj2 n GLY 137 Ca 0.47 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 46.17 1jj2 n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jj2 n GLY 138 N -1.47 3.63 3.10 -0.02 0.00 0.23 -4.49 105.19 106.17 1jj2 n GLY 138 Ca 0.01 -2.25 -0.08 0.00 0.00 0.00 0.00 46.02 43.69 1jj2 n GLY 138 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jj2 s SER 139 N -3.06 0.66 -0.14 1.61 1.04 0.02 -4.00 113.70 109.83 1jj2 s SER 139 Ca 0.05 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.52 1jj2 s SER 139 Cb 0.00 0.16 0.03 0.00 0.10 0.00 0.00 66.02 66.31 1jj2 s SER 139 CO 0.04 -0.53 -0.12 -0.69 0.98 0.00 0.00 173.24 172.91 1jj2 s VAL 140 N -3.62 1.42 -0.20 5.02 1.01 -1.26 -1.37 120.40 121.40 1jj2 s VAL 140 Ca 0.06 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.40 1jj2 s VAL 140 Cb 0.06 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 1jj2 s VAL 140 CO -0.08 0.40 0.06 -1.61 0.00 0.00 0.00 175.10 173.87 1jj2 s GLU 141 N 1.54 3.87 -0.13 2.72 2.02 0.30 -4.95 118.70 124.06 1jj2 s GLU 141 Ca 0.04 -0.39 -0.23 0.00 0.02 0.00 0.00 54.97 54.42 1jj2 s GLU 141 Cb -0.13 -3.23 -0.03 0.00 0.10 0.00 0.00 34.13 30.84 1jj2 s GLU 141 CO -0.10 0.15 0.69 -1.17 0.02 0.00 0.00 175.26 174.85 1jj2 s LEU 142 N 0.71 4.23 1.34 1.80 2.96 -1.26 -2.58 118.68 125.89 1jj2 s LEU 142 Ca 0.03 1.05 -0.19 0.00 -0.22 0.00 0.00 54.13 54.79 1jj2 s LEU 142 Cb -0.13 -3.03 0.34 0.00 0.50 0.00 0.00 46.19 43.87 1jj2 s LEU 142 CO 0.02 -0.22 0.96 -0.89 -1.32 0.00 0.00 176.35 174.91 1jj2 s THR 143 N 1.42 1.47 0.20 3.68 2.01 -0.51 -4.80 115.64 119.12 1jj2 s THR 143 Ca 0.34 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 62.29 1jj2 s THR 143 Cb -0.17 -2.08 0.01 0.00 0.01 0.00 0.00 72.50 70.28 1jj2 s THR 143 CO 0.14 0.00 1.59 0.44 -0.69 0.00 0.00 174.62 176.10 1jj2 h ASP 144 N -3.17 0.78 0.08 3.53 3.32 -1.97 -1.24 116.42 117.76 1jj2 h ASP 144 Ca -0.50 -0.31 -0.07 0.00 0.02 0.00 0.00 57.03 56.17 1jj2 h ASP 144 Cb 1.34 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 1jj2 h ASP 144 CO 0.36 1.03 -0.22 0.25 -1.72 0.00 0.00 179.24 178.94 1jj2 h LEU 145 N 0.64 0.24 -0.33 1.55 6.46 -1.93 0.45 115.31 122.39 1jj2 h LEU 145 Ca 0.07 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1jj2 h LEU 145 Cb 0.82 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.69 1jj2 h LEU 145 CO 0.07 0.47 0.00 0.61 -0.62 0.00 0.00 178.44 178.97 1jj2 n GLY 146 N -0.65 -0.79 1.54 3.75 0.00 -0.49 -3.04 105.19 105.52 1jj2 n GLY 146 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1jj2 n GLY 146 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jj2 n GLU 147 N -1.72 0.75 -2.62 1.61 1.02 0.15 -3.97 120.64 115.87 1jj2 n GLU 147 Ca 0.01 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.90 1jj2 n GLU 147 Cb 0.08 -1.12 -0.01 0.00 -0.02 0.00 0.00 31.44 30.37 1jj2 n GLU 147 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1jj2 n GLU 148 N 1.49 3.13 -3.52 3.49 1.02 -1.17 -4.93 120.64 120.15 1jj2 n GLU 148 Ca 0.00 -4.46 -0.27 0.00 -0.02 0.00 0.00 57.16 52.41 1jj2 n GLU 148 Cb 0.38 -2.15 -0.09 0.00 -0.02 0.00 0.00 31.44 29.55 1jj2 n GLU 148 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1jj2 n ARG 149 N -0.37 1.66 0.00 3.49 1.74 -1.25 -5.20 116.66 116.72 1jj2 n ARG 149 Ca 0.34 -4.15 0.00 0.00 -0.77 0.00 0.00 57.85 53.27 1jj2 n ARG 149 Cb 0.61 -2.00 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 1jj2 n ARG 149 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05