#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i55 s SER 2 N 0.00 1.64 -0.02 8.00 1.04 -1.26 -4.96 113.70 118.14 3i55 s SER 2 Ca 0.00 0.82 -0.18 0.00 0.48 0.00 0.00 55.95 57.07 3i55 s SER 2 Cb 0.00 -1.22 -0.10 0.00 0.10 0.00 0.00 66.02 64.80 3i55 s SER 2 CO 0.00 -3.70 0.76 0.50 0.98 0.00 0.00 173.24 171.78 3i55 h LYS 3 N -2.29 -0.61 -0.98 4.02 3.64 -2.07 -3.13 116.57 115.16 3i55 h LYS 3 Ca -0.49 0.04 0.25 0.00 -1.27 0.00 0.00 60.65 59.18 3i55 h LYS 3 Cb 1.31 0.14 -0.18 0.00 -0.41 0.00 0.00 32.23 33.08 3i55 h LYS 3 CO 0.44 -0.41 -0.05 1.63 -2.27 0.00 0.00 179.45 178.79 3i55 n LYS 4 N -4.99 -0.08 -0.15 1.90 5.02 -1.26 0.88 118.16 119.48 3i55 n LYS 4 Ca -0.08 1.48 0.20 0.00 -2.02 0.00 0.00 58.31 57.89 3i55 n LYS 4 Cb 0.25 -2.31 0.59 0.00 -0.02 0.00 0.00 35.03 33.54 3i55 n LYS 4 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3i55 h LYS 5 N 0.00 0.23 -0.01 1.97 1.63 -1.92 -0.11 116.57 118.36 3i55 h LYS 5 Ca 0.56 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.35 3i55 h LYS 5 Cb 1.09 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.67 3i55 h LYS 5 CO -0.94 0.15 -0.20 0.54 -3.45 0.00 0.00 179.45 175.55 3i55 n ARG 6 N -4.42 1.03 0.26 1.90 1.74 0.25 -4.29 116.66 113.14 3i55 n ARG 6 Ca 0.16 -0.61 0.12 0.00 -0.77 0.00 0.00 57.85 56.75 3i55 n ARG 6 Cb 0.68 -1.49 0.72 0.00 -1.02 0.00 0.00 32.46 31.35 3i55 n ARG 6 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3i55 h GLN 7 N 1.48 0.00 -5.89 5.56 1.08 -0.89 -3.43 115.11 113.02 3i55 h GLN 7 Ca 0.00 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.64 3i55 h GLN 7 Cb 0.51 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 3i55 h GLN 7 CO 0.00 0.12 1.53 0.54 -0.95 0.00 0.00 178.83 180.07 3i55 n ARG 8 N -3.71 1.73 0.00 1.46 5.12 -1.26 -0.79 116.66 119.20 3i55 n ARG 8 Ca -0.02 0.40 0.00 0.00 -1.93 0.00 0.00 57.85 56.30 3i55 n ARG 8 Cb 0.23 -3.28 0.00 0.00 -1.16 0.00 0.00 32.46 28.25 3i55 n ARG 8 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i55 n GLY 9 N 5.85 2.11 0.27 -0.13 0.00 -1.26 -4.96 105.19 107.07 3i55 n GLY 9 Ca 0.32 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.50 3i55 n GLY 9 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i55 h SER 10 N 0.00 0.00 0.00 1.61 4.64 -1.24 -3.46 113.55 115.09 3i55 h SER 10 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i55 h SER 10 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3i55 h SER 10 CO 0.00 0.02 0.00 -1.14 -0.87 0.00 0.00 176.83 174.84 3i55 n ARG 11 N -3.13 0.00 0.00 4.77 0.63 -1.26 -4.20 116.66 113.47 3i55 n ARG 11 Ca 0.01 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.06 3i55 n ARG 11 Cb 0.32 0.00 0.29 0.00 0.45 0.00 0.00 32.46 33.52 3i55 n ARG 11 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3i55 n THR 12 N 0.00 0.00 -4.26 5.15 -2.24 -1.26 -4.96 114.28 106.70 3i55 n THR 12 Ca 0.00 -0.31 -0.31 0.00 -2.27 0.00 0.00 64.05 61.16 3i55 n THR 12 Cb 0.00 0.91 -0.08 0.00 -2.10 0.00 0.00 70.33 69.06 3i55 n THR 12 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3i55 n HIS 13 N 0.38 -1.35 0.00 4.78 8.25 -1.26 -0.13 115.22 125.89 3i55 n HIS 13 Ca 0.15 0.66 0.00 0.00 -0.26 0.00 0.00 57.72 58.27 3i55 n HIS 13 Cb 0.45 -2.90 0.00 0.00 1.12 0.00 0.00 29.99 28.66 3i55 n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i55 n GLY 14 N -2.23 2.83 0.27 -1.41 0.00 -1.26 -4.90 105.19 98.49 3i55 n GLY 14 Ca -0.26 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.82 3i55 n GLY 14 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3i55 h GLY 15 N 0.00 0.92 0.00 -0.02 0.00 -0.94 -3.48 103.07 99.55 3i55 h GLY 15 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3i55 h GLY 15 CO 0.00 -0.24 0.00 0.61 0.00 0.00 0.00 176.54 176.91 3i55 n GLY 16 N -1.38 0.28 3.67 4.60 0.00 -1.26 -4.87 105.19 106.23 3i55 n GLY 16 Ca 0.14 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 3i55 n GLY 16 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i55 s SER 17 N -4.00 6.88 0.00 1.61 0.15 -1.26 -4.80 113.70 112.28 3i55 s SER 17 Ca 0.00 1.95 0.00 0.00 0.70 0.00 0.00 55.95 58.60 3i55 s SER 17 Cb 0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 3i55 s SER 17 CO 0.00 -0.75 0.51 0.00 1.20 0.00 0.00 173.24 174.20 3i55 n HIS 18 N 6.08 0.00 1.35 3.44 -0.00 -1.26 0.16 115.22 124.99 3i55 n HIS 18 Ca 0.14 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.99 3i55 n HIS 18 Cb 0.44 -0.12 0.40 0.00 -0.00 0.00 0.00 29.99 30.70 3i55 n HIS 18 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3i55 n LYS 19 N -1.01 1.75 -0.00 -1.40 5.02 -1.26 -4.62 118.16 116.64 3i55 n LYS 19 Ca 0.00 -1.17 -0.00 0.00 -2.02 0.00 0.00 58.31 55.12 3i55 n LYS 19 Cb 0.17 -1.48 -0.00 0.00 -0.02 0.00 0.00 35.03 33.71 3i55 n LYS 19 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3i55 h ASN 20 N 2.85 0.00 0.00 4.39 2.35 0.11 -3.42 115.58 121.86 3i55 h ASN 20 Ca 0.00 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.61 3i55 h ASN 20 Cb 0.63 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.03 3i55 h ASN 20 CO 0.00 0.01 1.17 0.54 -1.65 0.00 0.00 177.43 177.50 3i55 n ARG 21 N -2.13 0.12 0.00 0.81 1.74 -1.26 -4.65 116.66 111.28 3i55 n ARG 21 Ca -0.00 -0.66 0.00 0.00 -0.77 0.00 0.00 57.85 56.42 3i55 n ARG 21 Cb 0.00 -2.13 0.00 0.00 -1.02 0.00 0.00 32.46 29.31 3i55 n ARG 21 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i55 n ARG 22 N 5.56 0.00 0.00 5.56 1.74 -1.26 -5.14 116.66 123.12 3i55 n ARG 22 Ca 0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 3i55 n ARG 22 Cb 0.09 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.53 3i55 n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i55 n GLY 23 N 4.64 2.56 0.00 -0.13 0.00 -1.26 -4.97 105.19 106.02 3i55 n GLY 23 Ca 0.00 -2.00 0.07 0.00 0.00 0.00 0.00 46.02 44.09 3i55 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i55 n ALA 24 N -3.00 1.73 -0.19 4.61 0.00 -1.26 -2.64 120.51 119.76 3i55 n ALA 24 Ca 0.00 -0.06 -0.09 0.00 0.00 0.00 0.00 53.44 53.30 3i55 n ALA 24 Cb 0.00 -1.25 0.02 0.00 0.00 0.00 0.00 19.45 18.22 3i55 n ALA 24 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i55 h GLY 25 N 2.64 0.93 1.36 0.00 0.00 -1.93 -0.71 103.07 105.36 3i55 h GLY 25 Ca 0.00 -0.58 0.08 0.00 0.00 0.00 0.00 47.33 46.83 3i55 h GLY 25 CO 0.00 0.54 0.25 0.84 0.00 0.00 0.00 176.54 178.17 3i55 h HIS 26 N 0.76 0.14 -0.01 5.60 6.17 -1.81 -0.16 115.15 125.82 3i55 h HIS 26 Ca 0.17 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.25 3i55 h HIS 26 Cb 0.34 -0.04 0.00 0.00 2.52 0.00 0.00 27.41 30.22 3i55 h HIS 26 CO 0.02 0.07 -0.08 0.54 0.71 0.00 0.00 177.93 179.19 3i55 n ARG 27 N -4.46 1.51 -0.88 5.26 1.74 -0.89 -4.92 116.66 114.02 3i55 n ARG 27 Ca 0.05 -0.95 0.00 0.00 -0.77 0.00 0.00 57.85 56.18 3i55 n ARG 27 Cb 0.34 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 3i55 n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i55 n GLY 28 N 1.24 0.54 0.00 -0.13 0.00 -0.07 -4.88 105.19 101.89 3i55 n GLY 28 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3i55 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i55 n GLY 29 N -2.88 3.47 3.70 -0.02 0.00 -0.32 -4.62 105.19 104.52 3i55 n GLY 29 Ca 0.00 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 3i55 n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i55 s ARG 30 N -3.54 4.35 6.58 1.61 0.52 -1.26 -4.53 118.95 122.67 3i55 s ARG 30 Ca 0.00 1.87 0.00 0.00 -0.52 0.00 0.00 55.73 57.08 3i55 s ARG 30 Cb 0.00 -3.44 0.00 0.00 0.52 0.00 0.00 34.95 32.03 3i55 s ARG 30 CO 0.00 -0.43 0.00 0.41 0.02 0.00 0.00 175.30 175.30 3i55 n GLY 31 N 3.44 1.74 0.61 -3.53 0.00 -1.26 -3.08 105.19 103.11 3i55 n GLY 31 Ca 0.11 -0.47 0.01 0.00 0.00 0.00 0.00 46.02 45.67 3i55 n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i55 n ASP 32 N 5.56 1.42 -4.15 1.61 8.00 -1.26 -4.96 116.55 122.77 3i55 n ASP 32 Ca 0.00 -2.09 -0.41 0.00 0.71 0.00 0.00 54.79 53.00 3i55 n ASP 32 Cb 0.00 -0.49 -0.01 0.00 -0.02 0.00 0.00 41.12 40.60 3i55 n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i55 n ALA 33 N 0.04 -2.91 -2.62 2.24 0.00 -1.18 -1.28 120.51 114.81 3i55 n ALA 33 Ca 0.03 0.17 -0.05 0.00 0.00 0.00 0.00 53.44 53.58 3i55 n ALA 33 Cb 0.33 -1.44 -0.01 0.00 0.00 0.00 0.00 19.45 18.33 3i55 n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i55 n GLY 34 N 2.19 -0.49 0.00 0.00 0.00 -1.26 -4.71 105.19 100.91 3i55 n GLY 34 Ca 0.12 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3i55 n GLY 34 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i55 n ARG 35 N -2.68 0.00 -0.22 1.61 -4.01 -0.40 -0.55 116.66 110.40 3i55 n ARG 35 Ca -0.02 0.01 0.00 0.00 -1.04 0.00 0.00 57.85 56.80 3i55 n ARG 35 Cb 0.52 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 28.44 3i55 n ARG 35 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 3i55 n ASP 36 N -0.89 0.10 0.00 2.89 5.75 -1.26 -4.12 116.55 119.02 3i55 n ASP 36 Ca 0.00 -1.52 0.00 0.00 -0.01 0.00 0.00 54.79 53.26 3i55 n ASP 36 Cb 0.00 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 3i55 n ASP 36 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3i55 n LYS 37 N -0.04 0.00 0.09 0.11 4.76 0.29 -4.77 118.16 118.60 3i55 n LYS 37 Ca 0.00 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.28 3i55 n LYS 37 Cb 0.59 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.67 3i55 n LYS 37 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 3i55 h HIS 38 N 0.00 0.66 -0.89 2.13 2.07 -1.93 -3.30 115.15 113.89 3i55 h HIS 38 Ca 0.00 -0.43 -0.60 0.00 -2.85 0.00 0.00 60.37 56.49 3i55 h HIS 38 Cb 0.00 -0.05 -0.32 0.00 2.57 0.00 0.00 27.41 29.61 3i55 h HIS 38 CO 0.00 1.29 0.30 0.39 -3.07 0.00 0.00 177.93 176.84 3i55 n GLU 39 N -3.66 2.90 0.22 5.12 1.02 -1.12 -4.64 120.64 120.48 3i55 n GLU 39 Ca -0.09 -3.54 0.11 0.00 -0.02 0.00 0.00 57.16 53.62 3i55 n GLU 39 Cb 0.96 -2.26 0.33 0.00 -0.02 0.00 0.00 31.44 30.46 3i55 n GLU 39 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3i55 h PHE 40 N 1.95 0.00 -1.83 -0.32 -5.15 -1.64 -3.40 116.94 106.55 3i55 h PHE 40 Ca 0.52 0.00 -0.62 0.00 -0.20 0.00 0.00 57.97 57.67 3i55 h PHE 40 Cb 1.18 0.00 0.01 0.00 0.22 0.00 0.00 35.95 37.36 3i55 h PHE 40 CO 1.25 0.13 1.24 0.72 -2.00 0.00 0.00 178.31 179.65 3i55 n HIS 41 N -3.18 2.12 -2.87 6.09 -0.00 -1.26 -2.69 115.22 113.43 3i55 n HIS 41 Ca 0.02 0.02 -0.08 0.00 -0.00 0.00 0.00 57.72 57.68 3i55 n HIS 41 Cb 0.49 -2.65 0.03 0.00 -0.00 0.00 0.00 29.99 27.85 3i55 n HIS 41 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 3i55 n ASN 42 N 8.28 -3.47 -4.02 0.41 5.03 -1.26 -5.05 115.26 115.18 3i55 n ASN 42 Ca 0.28 -0.19 -0.31 0.00 0.87 0.00 0.00 54.58 55.23 3i55 n ASN 42 Cb 0.31 -2.07 -0.16 0.00 -1.02 0.00 0.00 39.78 36.84 3i55 n ASN 42 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 3i55 s HIS 43 N -3.11 2.76 -0.42 3.10 3.76 -1.09 -5.06 115.29 115.22 3i55 s HIS 43 Ca 0.20 -1.90 -0.38 0.00 -0.15 0.00 0.00 55.06 52.82 3i55 s HIS 43 Cb -0.09 -1.76 -0.16 0.00 1.11 0.00 0.00 32.58 31.68 3i55 s HIS 43 CO 0.25 -0.81 1.60 0.39 -0.85 0.00 0.00 174.74 175.32 3i55 n GLU 44 N 4.58 0.00 -1.16 1.40 -0.58 -1.26 -4.76 120.64 118.86 3i55 n GLU 44 Ca -0.14 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.22 3i55 n GLU 44 Cb 0.45 -1.27 0.03 0.00 -0.57 0.00 0.00 31.44 30.08 3i55 n GLU 44 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3i55 n PRO 45 N 4.98 0.04 -2.21 3.49 -0.04 -1.26 -4.89 135.00 135.11 3i55 n PRO 45 Ca 0.37 0.02 -0.38 0.00 -0.04 0.00 0.00 63.50 63.47 3i55 n PRO 45 Cb -0.04 -1.13 -0.01 0.00 -0.04 0.00 0.00 33.50 32.27 3i55 n PRO 45 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i55 s LEU 46 N 5.20 4.17 0.00 1.53 1.43 -1.26 -4.97 118.68 124.77 3i55 s LEU 46 Ca 0.52 2.44 0.00 0.00 -1.03 0.00 0.00 54.13 56.06 3i55 s LEU 46 Cb -0.36 -4.02 0.00 0.00 0.03 0.00 0.00 46.19 41.84 3i55 s LEU 46 CO 0.71 -0.77 0.00 0.61 0.23 0.00 0.00 176.35 177.12 3i55 n GLY 47 N 0.63 3.08 3.50 -3.19 0.00 -1.26 -5.11 105.19 102.84 3i55 n GLY 47 Ca 0.05 -1.60 -0.33 0.00 0.00 0.00 0.00 46.02 44.13 3i55 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i55 s LYS 48 N -2.05 2.79 -0.02 1.61 1.02 -1.26 -5.13 119.74 116.70 3i55 s LYS 48 Ca 0.00 -0.63 0.01 0.00 0.02 0.00 0.00 55.97 55.37 3i55 s LYS 48 Cb 0.00 -2.52 0.01 0.00 -0.52 0.00 0.00 37.83 34.80 3i55 s LYS 48 CO 0.00 0.56 -0.03 0.45 -0.92 0.00 0.00 175.35 175.41 3i55 s SER 49 N -0.54 0.56 0.92 2.83 0.15 -1.26 -5.12 113.70 111.24 3i55 s SER 49 Ca 0.08 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.65 3i55 s SER 49 Cb -0.12 -0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.01 3i55 s SER 49 CO 0.02 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.05 3i55 n GLY 50 N 3.55 0.47 3.34 9.45 0.00 -1.26 -4.98 105.19 115.76 3i55 n GLY 50 Ca -0.20 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 3i55 n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3i55 s PHE 51 N 0.00 1.10 0.05 1.61 -0.12 -1.26 -5.18 117.98 114.18 3i55 s PHE 51 Ca 0.00 -1.29 0.05 0.00 -0.05 0.00 0.00 56.93 55.64 3i55 s PHE 51 Cb 0.00 -0.36 -0.02 0.00 -0.63 0.00 0.00 43.02 42.00 3i55 s PHE 51 CO 0.00 -0.83 -0.14 0.15 -0.05 0.00 0.00 175.22 174.35 3i55 s LYS 52 N -3.82 0.91 -0.12 1.99 1.02 -1.26 -5.14 119.74 113.32 3i55 s LYS 52 Ca 0.35 -0.81 -0.10 0.00 0.02 0.00 0.00 55.97 55.43 3i55 s LYS 52 Cb 0.03 -0.93 -0.05 0.00 -0.52 0.00 0.00 37.83 36.37 3i55 s LYS 52 CO 0.16 0.22 0.21 1.03 -0.92 0.00 0.00 175.35 176.05 3i55 s ARG 53 N -1.28 3.83 -0.03 1.68 0.52 -1.26 -5.01 118.95 117.40 3i55 s ARG 53 Ca 0.01 -0.01 -0.33 0.00 -0.52 0.00 0.00 55.73 54.87 3i55 s ARG 53 Cb -0.08 -3.29 -0.16 0.00 0.52 0.00 0.00 34.95 31.93 3i55 s ARG 53 CO 0.02 0.56 0.91 -0.35 0.02 0.00 0.00 175.30 176.45 3i55 n PRO 54 N 2.58 0.00 -0.37 3.54 -0.04 -1.26 -4.80 135.00 134.65 3i55 n PRO 54 Ca -0.17 0.00 0.28 0.00 -0.04 0.00 0.00 63.50 63.58 3i55 n PRO 54 Cb 0.53 -1.23 0.55 0.00 -0.04 0.00 0.00 33.50 33.31 3i55 n PRO 54 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3i55 h GLN 55 N 2.57 0.25 -0.84 0.54 1.08 -1.99 0.56 115.11 117.28 3i55 h GLN 55 Ca -0.42 -0.02 -0.08 0.00 -1.45 0.00 0.00 58.65 56.69 3i55 h GLN 55 Cb 1.17 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 28.50 3i55 h GLN 55 CO 0.55 0.17 0.10 0.36 -0.95 0.00 0.00 178.83 179.06 3i55 n LYS 56 N -4.77 2.70 -0.25 1.46 2.85 -1.26 -3.33 118.16 115.55 3i55 n LYS 56 Ca 0.32 -1.68 0.06 0.00 -1.05 0.00 0.00 58.31 55.95 3i55 n LYS 56 Cb 1.12 -1.83 0.08 0.00 -0.65 0.00 0.00 35.03 33.74 3i55 n LYS 56 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3i55 n VAL 57 N 0.13 1.09 -4.13 0.58 0.31 0.19 -5.04 118.33 111.45 3i55 n VAL 57 Ca 0.20 -1.30 -0.35 0.00 -0.01 0.00 0.00 64.34 62.88 3i55 n VAL 57 Cb 0.87 0.08 -0.13 0.00 -0.91 0.00 0.00 33.84 33.74 3i55 n VAL 57 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3i55 s GLN 58 N -1.65 3.49 -0.24 5.55 -0.21 -1.21 -4.95 119.66 120.43 3i55 s GLN 58 Ca 0.18 -0.59 -0.19 0.00 0.02 0.00 0.00 55.36 54.78 3i55 s GLN 58 Cb 0.16 -2.97 -0.02 0.00 1.00 0.00 0.00 33.01 31.17 3i55 s GLN 58 CO 0.02 -0.03 0.57 -1.21 -2.12 0.00 0.00 175.29 172.51 3i55 s GLU 59 N 1.06 4.12 -0.39 2.91 2.02 -1.26 -5.03 118.70 122.13 3i55 s GLU 59 Ca 0.01 0.45 -0.01 0.00 0.02 0.00 0.00 54.97 55.44 3i55 s GLU 59 Cb -0.15 -3.63 0.11 0.00 0.10 0.00 0.00 34.13 30.56 3i55 s GLU 59 CO 0.00 -0.33 0.16 -2.00 0.02 0.00 0.00 175.26 173.11 3i55 s GLU 60 N 2.24 1.87 0.24 1.61 2.12 -1.26 -5.01 118.70 120.50 3i55 s GLU 60 Ca 0.24 -1.83 -0.22 0.00 0.36 0.00 0.00 54.97 53.51 3i55 s GLU 60 Cb -0.16 -3.49 -0.09 0.00 0.26 0.00 0.00 34.13 30.66 3i55 s GLU 60 CO 0.09 -1.04 0.79 0.00 -0.54 0.00 0.00 175.26 174.56 3i55 s ALA 61 N 1.08 3.37 -0.36 6.30 0.00 -1.26 -1.25 121.76 129.64 3i55 s ALA 61 Ca 0.09 0.29 -0.21 0.00 0.00 0.00 0.00 51.96 52.13 3i55 s ALA 61 Cb -0.22 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 19.97 3i55 s ALA 61 CO -0.05 0.29 0.64 0.00 0.00 0.00 0.00 175.76 176.64 3i55 s ALA 62 N -1.47 3.46 0.17 0.00 0.00 0.74 -4.92 121.76 119.73 3i55 s ALA 62 Ca 0.43 -0.84 0.06 0.00 0.00 0.00 0.00 51.96 51.61 3i55 s ALA 62 Cb -0.18 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 3i55 s ALA 62 CO 0.23 -1.34 0.07 0.95 0.00 0.00 0.00 175.76 175.67 3i55 s THR 63 N 2.72 4.15 -0.16 0.00 -4.23 -1.26 -0.92 115.64 115.94 3i55 s THR 63 Ca 0.25 -1.22 -0.16 0.00 -1.18 0.00 0.00 61.69 59.38 3i55 s THR 63 Cb -0.14 -3.10 0.04 0.00 1.34 0.00 0.00 72.50 70.64 3i55 s THR 63 CO 0.15 -0.10 0.45 -0.51 -0.54 0.00 0.00 174.62 174.06 3i55 s ILE 64 N -1.73 0.00 0.01 2.99 2.07 -0.96 -4.98 121.20 118.61 3i55 s ILE 64 Ca 0.29 -0.01 -0.21 0.00 -1.41 0.00 0.00 60.65 59.31 3i55 s ILE 64 Cb -0.10 -0.63 -0.06 0.00 0.13 0.00 0.00 42.46 41.81 3i55 s ILE 64 CO 0.21 -0.01 0.63 -1.81 -1.91 0.00 0.00 174.94 172.05 3i55 s ASP 65 N 0.18 7.03 0.38 4.50 1.01 -1.24 0.69 116.67 129.21 3i55 s ASP 65 Ca -0.01 1.23 0.21 0.00 0.71 0.00 0.00 52.55 54.70 3i55 s ASP 65 Cb -0.03 -2.39 1.31 0.00 1.01 0.00 0.00 42.92 42.82 3i55 s ASP 65 CO 0.01 0.10 1.61 -0.37 0.21 0.00 0.00 175.17 176.73 3i55 h VAL 66 N 4.07 0.09 -0.72 -1.27 -1.51 -0.77 0.93 116.25 117.06 3i55 h VAL 66 Ca -0.45 -0.03 0.14 0.00 -1.23 0.00 0.00 66.70 65.12 3i55 h VAL 66 Cb 1.20 -0.01 -0.10 0.00 -2.13 0.00 0.00 31.29 30.26 3i55 h VAL 66 CO 0.69 0.02 0.24 -0.09 -1.23 0.00 0.00 177.57 177.20 3i55 h ARG 67 N 0.09 0.36 -0.68 5.19 2.43 -1.76 0.12 114.38 120.14 3i55 h ARG 67 Ca 0.82 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.96 3i55 h ARG 67 Cb 2.20 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 31.64 3i55 h ARG 67 CO -0.66 0.24 0.38 1.49 -1.51 0.00 0.00 179.97 179.90 3i55 h GLU 68 N 0.37 0.94 0.34 0.20 4.81 0.58 -1.60 114.58 120.23 3i55 h GLU 68 Ca 0.39 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 3i55 h GLU 68 Cb 0.61 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3i55 h GLU 68 CO -0.42 0.70 -0.17 0.82 -0.73 0.00 0.00 179.01 179.22 3i55 h ILE 69 N 0.93 0.00 -0.99 2.32 2.04 -1.12 -3.24 117.51 117.44 3i55 h ILE 69 Ca 0.24 -0.05 0.16 0.00 1.00 0.00 0.00 64.86 66.20 3i55 h ILE 69 Cb 0.03 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 35.95 3i55 h ILE 69 CO -0.04 0.00 -0.38 -0.78 0.00 0.00 0.00 178.15 176.95 3i55 h ASP 70 N -0.51 -1.41 0.00 1.72 3.58 -1.00 0.24 116.42 119.04 3i55 h ASP 70 Ca -0.05 0.31 0.00 0.00 0.42 0.00 0.00 57.03 57.71 3i55 h ASP 70 Cb 0.35 0.75 0.00 0.00 1.72 0.00 0.00 39.33 42.15 3i55 h ASP 70 CO 0.08 -0.29 0.16 -0.33 -2.88 0.00 0.00 179.24 175.97 3i55 h GLU 71 N -0.00 0.00 0.00 0.28 5.08 -1.36 -2.56 114.58 116.02 3i55 h GLU 71 Ca 0.35 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.71 3i55 h GLU 71 Cb 0.61 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3i55 h GLU 71 CO -0.99 0.00 -0.20 0.09 -1.00 0.00 0.00 179.01 176.91 3i55 n ASN 72 N -2.89 2.03 0.23 1.42 3.02 0.82 -4.79 115.26 115.10 3i55 n ASN 72 Ca -0.02 -3.29 -0.15 0.00 -0.03 0.00 0.00 54.58 51.09 3i55 n ASN 72 Cb 0.21 -0.45 -0.08 0.00 -0.61 0.00 0.00 39.78 38.85 3i55 n ASN 72 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 3i55 h VAL 73 N 0.73 0.60 -0.17 2.41 -1.51 -1.23 -1.29 116.25 115.78 3i55 h VAL 73 Ca -0.00 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.39 3i55 h VAL 73 Cb 1.03 0.60 -0.01 0.00 -2.13 0.00 0.00 31.29 30.78 3i55 h VAL 73 CO 0.00 0.00 -0.21 0.71 -1.23 0.00 0.00 177.57 176.85 3i55 h THR 74 N -0.54 1.23 0.00 7.19 1.35 -1.87 -2.27 112.91 118.00 3i55 h THR 74 Ca -0.05 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 64.76 3i55 h THR 74 Cb 0.42 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 3i55 h THR 74 CO 0.08 0.32 0.00 0.18 -0.25 0.00 0.00 175.52 175.86 3i55 n LEU 75 N -4.19 0.00 -3.27 3.87 4.77 -1.10 -3.70 117.00 113.38 3i55 n LEU 75 Ca -0.01 0.28 -0.38 0.00 -0.03 0.00 0.00 56.01 55.87 3i55 n LEU 75 Cb 0.34 -0.28 0.02 0.00 -2.33 0.00 0.00 43.42 41.17 3i55 n LEU 75 CO 0.40 -0.00 1.25 0.18 -1.33 0.00 0.00 177.39 177.89 3i55 n LEU 76 N -1.28 6.94 0.26 2.23 4.77 -0.50 -4.75 117.00 124.67 3i55 n LEU 76 Ca 0.14 -5.25 0.17 0.00 -0.03 0.00 0.00 56.01 51.05 3i55 n LEU 76 Cb 0.23 -1.03 0.91 0.00 -2.33 0.00 0.00 43.42 41.21 3i55 n LEU 76 CO 0.23 2.01 1.02 0.00 -1.33 0.00 0.00 177.39 179.32 3i55 h ALA 77 N 3.61 1.00 -0.40 -1.18 0.00 -1.76 -2.21 119.26 118.32 3i55 h ALA 77 Ca 0.49 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 55.19 3i55 h ALA 77 Cb 0.29 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.95 3i55 h ALA 77 CO 1.20 0.00 0.27 0.00 0.00 0.00 0.00 179.25 180.72 3i55 n ALA 78 N -1.95 3.85 -2.31 0.00 0.00 -1.26 -4.88 120.51 113.97 3i55 n ALA 78 Ca -0.02 -1.18 -0.17 0.00 0.00 0.00 0.00 53.44 52.07 3i55 n ALA 78 Cb 0.08 -1.19 -0.08 0.00 0.00 0.00 0.00 19.45 18.25 3i55 n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i55 s ASP 79 N 0.11 1.18 0.33 0.00 1.01 -0.83 -5.15 116.67 113.32 3i55 s ASP 79 Ca 0.23 -1.63 -0.29 0.00 0.71 0.00 0.00 52.55 51.57 3i55 s ASP 79 Cb 0.19 0.51 -0.10 0.00 1.01 0.00 0.00 42.92 44.53 3i55 s ASP 79 CO 0.04 -1.02 1.38 -1.81 0.21 0.00 0.00 175.17 173.97 3i55 s ASP 80 N -3.30 6.64 -0.54 0.27 1.11 -1.24 -4.98 116.67 114.63 3i55 s ASP 80 Ca 0.39 2.78 0.06 0.00 0.18 0.00 0.00 52.55 55.96 3i55 s ASP 80 Cb 0.03 -2.65 0.35 0.00 1.07 0.00 0.00 42.92 41.72 3i55 s ASP 80 CO 0.23 -0.65 0.94 0.52 1.18 0.00 0.00 175.17 177.38 3i55 n VAL 81 N 0.99 2.62 -0.32 -1.27 0.31 -1.26 -3.05 118.33 116.35 3i55 n VAL 81 Ca 0.01 -5.39 -0.31 0.00 -0.01 0.00 0.00 64.34 58.65 3i55 n VAL 81 Cb 0.41 -1.23 0.29 0.00 -0.91 0.00 0.00 33.84 32.40 3i55 n VAL 81 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i55 s ALA 82 N -3.36 -0.84 0.00 3.52 0.00 -1.26 -4.84 121.76 114.98 3i55 s ALA 82 Ca 0.48 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.63 3i55 s ALA 82 Cb 0.30 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.47 3i55 s ALA 82 CO -0.13 -4.69 0.02 -0.85 0.00 0.00 0.00 175.76 170.11 3i55 n GLU 83 N -5.72 0.00 -3.51 0.00 0.28 -1.26 -4.80 120.64 105.63 3i55 n GLU 83 Ca 0.13 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.79 3i55 n GLU 83 Cb 0.60 -1.45 -0.05 0.00 1.43 0.00 0.00 31.44 31.97 3i55 n GLU 83 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 3i55 s PHE 89 N -1.00 3.54 -0.16 -1.84 0.40 -0.57 -5.13 117.98 113.22 3i55 s PHE 89 Ca 0.00 0.83 0.01 0.00 -0.60 0.00 0.00 56.93 57.17 3i55 s PHE 89 Cb 0.00 -2.21 0.03 0.00 0.51 0.00 0.00 43.02 41.35 3i55 s PHE 89 CO 0.00 0.44 -0.14 0.50 0.70 0.00 0.00 175.22 176.71 3i55 s ARG 90 N -2.20 2.36 -0.03 0.44 3.52 -1.17 0.46 118.95 122.33 3i55 s ARG 90 Ca 0.38 -0.65 0.01 0.00 -0.13 0.00 0.00 55.73 55.34 3i55 s ARG 90 Cb -0.13 -2.23 0.02 0.00 -1.56 0.00 0.00 34.95 31.05 3i55 s ARG 90 CO 0.20 -0.27 -0.03 0.54 -0.81 0.00 0.00 175.30 174.93 3i55 s VAL 91 N 1.44 0.36 -0.69 7.11 0.11 0.15 -3.66 120.40 125.21 3i55 s VAL 91 Ca 0.04 -0.06 -0.21 0.00 -2.93 0.00 0.00 61.98 58.81 3i55 s VAL 91 Cb -0.13 -0.39 0.09 0.00 -1.53 0.00 0.00 36.38 34.42 3i55 s VAL 91 CO -0.11 0.16 0.93 -0.62 -3.33 0.00 0.00 175.10 172.14 3i55 s ASP 92 N 0.68 6.26 0.32 3.54 2.15 -1.26 -0.88 116.67 127.47 3i55 s ASP 92 Ca -0.08 -1.29 0.09 0.00 0.43 0.00 0.00 52.55 51.70 3i55 s ASP 92 Cb -0.11 -2.39 0.92 0.00 -0.30 0.00 0.00 42.92 41.05 3i55 s ASP 92 CO -0.01 -1.30 1.64 0.58 -0.17 0.00 0.00 175.17 175.91 3i55 h VAL 93 N 5.93 0.24 -1.62 1.11 2.07 -1.30 0.25 116.25 122.93 3i55 h VAL 93 Ca -0.21 -0.07 0.47 0.00 0.82 0.00 0.00 66.70 67.71 3i55 h VAL 93 Cb 1.07 0.02 -0.07 0.00 -1.52 0.00 0.00 31.29 30.78 3i55 h VAL 93 CO 1.15 0.04 1.15 0.03 0.02 0.00 0.00 177.57 179.96 3i55 h ARG 94 N 0.21 0.01 -0.51 1.57 3.08 -1.91 2.57 114.38 119.39 3i55 h ARG 94 Ca 0.66 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.71 3i55 h ARG 94 Cb 1.46 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.50 3i55 h ARG 94 CO -0.68 0.01 0.00 -0.25 -1.07 0.00 0.00 179.97 177.98 3i55 n ASP 95 N -4.10 2.79 -0.03 7.04 8.00 0.08 -4.32 116.55 126.01 3i55 n ASP 95 Ca 0.37 -1.99 -0.04 0.00 0.71 0.00 0.00 54.79 53.83 3i55 n ASP 95 Cb 1.67 -0.34 -0.04 0.00 -0.02 0.00 0.00 41.12 42.39 3i55 n ASP 95 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3i55 n VAL 96 N 1.03 0.39 -2.46 2.53 0.31 0.86 -5.02 118.33 115.98 3i55 n VAL 96 Ca 0.18 -0.18 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 3i55 n VAL 96 Cb 0.44 -0.79 -0.03 0.00 -0.91 0.00 0.00 33.84 32.55 3i55 n VAL 96 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3i55 s VAL 97 N -2.14 3.94 0.78 2.52 1.01 -1.00 -5.03 120.40 120.48 3i55 s VAL 97 Ca -0.07 1.51 -0.12 0.00 0.00 0.00 0.00 61.98 63.31 3i55 s VAL 97 Cb 0.02 -3.97 0.06 0.00 0.00 0.00 0.00 36.38 32.49 3i55 s VAL 97 CO 0.19 0.19 1.13 -1.61 0.00 0.00 0.00 175.10 174.99 3i55 s GLU 98 N 0.37 2.24 -0.60 2.72 2.02 -1.26 -3.34 118.70 120.86 3i55 s GLU 98 Ca 0.54 0.38 0.00 0.00 0.02 0.00 0.00 54.97 55.91 3i55 s GLU 98 Cb -0.30 -1.96 0.00 0.00 0.10 0.00 0.00 34.13 31.98 3i55 s GLU 98 CO 0.32 -1.45 0.00 0.39 0.02 0.00 0.00 175.26 174.54 3i55 n GLU 99 N -3.27 -1.48 0.09 1.61 1.02 -1.26 -4.86 120.64 112.49 3i55 n GLU 99 Ca 0.07 0.63 -0.11 0.00 -0.02 0.00 0.00 57.16 57.73 3i55 n GLU 99 Cb 0.58 -4.85 -0.08 0.00 -0.02 0.00 0.00 31.44 27.08 3i55 n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i55 h ALA 100 N 0.00 -0.30 -0.91 0.62 0.00 -1.91 -3.32 119.26 113.44 3i55 h ALA 100 Ca -0.11 -0.21 0.32 0.00 0.00 0.00 0.00 54.91 54.91 3i55 h ALA 100 Cb 0.91 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.72 3i55 h ALA 100 CO 0.17 -0.40 0.58 -0.40 0.00 0.00 0.00 179.25 179.20 3i55 n ASP 101 N -5.00 0.15 -1.67 0.00 5.75 -1.26 -0.68 116.55 113.83 3i55 n ASP 101 Ca -0.08 0.96 -0.12 0.00 -0.01 0.00 0.00 54.79 55.54 3i55 n ASP 101 Cb 0.26 -0.47 0.08 0.00 -1.03 0.00 0.00 41.12 39.96 3i55 n ASP 101 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3i55 n ASP 102 N -4.09 3.53 -4.62 -1.12 5.75 -1.25 -5.03 116.55 109.71 3i55 n ASP 102 Ca 0.27 -3.55 -0.34 0.00 -0.01 0.00 0.00 54.79 51.16 3i55 n ASP 102 Cb 1.05 -0.40 -0.10 0.00 -1.03 0.00 0.00 41.12 40.63 3i55 n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i55 s ALA 103 N -3.36 3.16 0.64 2.12 0.00 0.14 -4.97 121.76 119.49 3i55 s ALA 103 Ca 0.44 -0.83 0.21 0.00 0.00 0.00 0.00 51.96 51.79 3i55 s ALA 103 Cb 0.39 -1.43 1.05 0.00 0.00 0.00 0.00 23.12 23.12 3i55 s ALA 103 CO -0.01 0.52 1.56 0.22 0.00 0.00 0.00 175.76 178.05 3i55 h ASP 104 N 5.46 0.00 0.00 0.00 1.82 -1.50 -3.44 116.42 118.76 3i55 h ASP 104 Ca -0.47 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.17 3i55 h ASP 104 Cb 1.19 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.20 3i55 h ASP 104 CO 0.55 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 178.18 3i55 n TYR 105 N -3.05 0.00 -4.05 0.28 0.18 -1.26 -4.97 117.16 104.29 3i55 n TYR 105 Ca 0.06 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.49 3i55 n TYR 105 Cb 0.82 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.69 3i55 n TYR 105 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3i55 s VAL 106 N -2.00 4.70 -0.06 -3.48 1.01 -1.26 -0.18 120.40 119.12 3i55 s VAL 106 Ca 0.00 -0.07 0.04 0.00 0.00 0.00 0.00 61.98 61.96 3i55 s VAL 106 Cb 0.00 -3.11 -0.00 0.00 0.00 0.00 0.00 36.38 33.27 3i55 s VAL 106 CO 0.00 0.47 -0.20 -0.75 0.00 0.00 0.00 175.10 174.62 3i55 s LYS 107 N 0.29 2.20 -0.35 2.72 2.20 -0.10 -2.09 119.74 124.62 3i55 s LYS 107 Ca 0.03 -0.71 -0.15 0.00 -0.36 0.00 0.00 55.97 54.78 3i55 s LYS 107 Cb -0.12 -1.83 -0.01 0.00 -1.51 0.00 0.00 37.83 34.36 3i55 s LYS 107 CO 0.00 0.24 0.34 0.08 -0.36 0.00 0.00 175.35 175.65 3i55 s VAL 108 N 0.13 5.19 -0.11 4.02 1.01 0.55 -2.27 120.40 128.92 3i55 s VAL 108 Ca -0.08 -0.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.72 3i55 s VAL 108 Cb -0.14 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 3i55 s VAL 108 CO 0.04 -0.10 0.32 -0.76 0.00 0.00 0.00 175.10 174.59 3i55 s LEU 109 N 1.96 4.33 -0.13 3.92 1.43 0.22 -2.30 118.68 128.12 3i55 s LEU 109 Ca 0.11 0.65 -0.22 0.00 -1.03 0.00 0.00 54.13 53.64 3i55 s LEU 109 Cb -0.17 -2.41 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 3i55 s LEU 109 CO 0.11 0.20 0.65 -0.83 0.23 0.00 0.00 176.35 176.72 3i55 s GLY 110 N -0.17 2.33 -0.30 -3.19 0.00 -1.26 -0.16 107.32 104.57 3i55 s GLY 110 Ca 0.19 -0.07 -0.13 0.00 0.00 0.00 0.00 44.72 44.71 3i55 s GLY 110 CO 0.07 1.21 1.03 0.00 0.00 0.00 0.00 173.10 175.41 3i55 s ALA 111 N 1.29 -3.30 0.00 3.20 0.00 -1.26 -4.61 121.76 117.08 3i55 s ALA 111 Ca 0.33 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.82 3i55 s ALA 111 Cb -0.16 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.53 3i55 s ALA 111 CO 0.14 -1.38 0.00 0.41 0.00 0.00 0.00 175.76 174.92 3i55 n GLY 112 N 5.39 1.96 3.63 0.00 0.00 -1.26 -3.39 105.19 111.52 3i55 n GLY 112 Ca -0.07 -2.06 -0.29 0.00 0.00 0.00 0.00 46.02 43.60 3i55 n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i55 s GLN 113 N -2.05 0.30 -0.40 1.61 -0.21 -1.26 -4.72 119.66 112.93 3i55 s GLN 113 Ca 0.00 0.79 0.08 0.00 0.02 0.00 0.00 55.36 56.25 3i55 s GLN 113 Cb 0.00 -1.70 0.25 0.00 1.00 0.00 0.00 33.01 32.56 3i55 s GLN 113 CO 0.00 -2.89 0.53 0.28 -2.12 0.00 0.00 175.29 171.09 3i55 n VAL 114 N -4.33 -0.69 -0.59 1.09 0.31 -1.26 -4.39 118.33 108.47 3i55 n VAL 114 Ca 0.06 -3.86 -0.08 0.00 -0.01 0.00 0.00 64.34 60.44 3i55 n VAL 114 Cb 0.55 -1.78 -0.09 0.00 -0.91 0.00 0.00 33.84 31.61 3i55 n VAL 114 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i55 n ARG 115 N 1.48 1.23 -3.50 5.55 1.74 -1.26 -4.75 116.66 117.15 3i55 n ARG 115 Ca 0.21 -0.65 -0.09 0.00 -0.77 0.00 0.00 57.85 56.54 3i55 n ARG 115 Cb 0.53 -1.84 -0.02 0.00 -1.02 0.00 0.00 32.46 30.11 3i55 n ARG 115 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3i55 s HIS 116 N 1.98 -0.38 -0.37 -1.55 3.76 -1.26 -5.11 115.29 112.36 3i55 s HIS 116 Ca 0.39 0.28 -0.17 0.00 -0.15 0.00 0.00 55.06 55.41 3i55 s HIS 116 Cb 0.18 0.53 0.00 0.00 1.11 0.00 0.00 32.58 34.40 3i55 s HIS 116 CO -0.00 -0.56 0.43 -1.83 -0.85 0.00 0.00 174.74 171.92 3i55 s GLU 117 N -2.98 3.41 -0.03 1.40 -1.05 -1.25 -4.76 118.70 113.44 3i55 s GLU 117 Ca 0.04 -0.47 0.08 0.00 -0.15 0.00 0.00 54.97 54.46 3i55 s GLU 117 Cb -0.01 -3.86 -0.02 0.00 -0.44 0.00 0.00 34.13 29.80 3i55 s GLU 117 CO -0.08 -0.67 -0.26 -0.51 0.95 0.00 0.00 175.26 174.69 3i55 s LEU 118 N 2.16 2.05 -0.88 1.83 1.43 -1.26 -1.52 118.68 122.50 3i55 s LEU 118 Ca 0.14 -0.47 -0.04 0.00 -1.03 0.00 0.00 54.13 52.73 3i55 s LEU 118 Cb -0.16 -1.33 0.22 0.00 0.03 0.00 0.00 46.19 44.95 3i55 s LEU 118 CO 0.13 0.30 0.77 -0.89 0.23 0.00 0.00 176.35 176.89 3i55 s THR 119 N -0.53 4.56 0.15 5.49 2.01 0.17 -2.21 115.64 125.28 3i55 s THR 119 Ca 0.08 -3.58 -0.25 0.00 0.31 0.00 0.00 61.69 58.25 3i55 s THR 119 Cb -0.10 -3.83 -0.08 0.00 0.01 0.00 0.00 72.50 68.50 3i55 s THR 119 CO -0.00 -1.06 0.77 -0.76 -0.69 0.00 0.00 174.62 172.87 3i55 s LEU 120 N -1.04 4.58 -0.18 4.42 1.43 -1.07 0.30 118.68 127.12 3i55 s LEU 120 Ca 0.26 1.61 -0.01 0.00 -1.03 0.00 0.00 54.13 54.96 3i55 s LEU 120 Cb -0.10 -3.28 0.05 0.00 0.03 0.00 0.00 46.19 42.89 3i55 s LEU 120 CO -0.10 0.19 -0.03 -0.63 0.23 0.00 0.00 176.35 176.01 3i55 s ILE 121 N -1.02 1.03 0.25 -0.59 1.01 -0.06 0.98 121.20 122.80 3i55 s ILE 121 Ca 0.36 -0.71 -0.10 0.00 0.00 0.00 0.00 60.65 60.20 3i55 s ILE 121 Cb -0.23 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 40.93 3i55 s ILE 121 CO 0.26 0.00 0.42 0.00 0.00 0.00 0.00 174.94 175.61 3i55 s ALA 122 N 1.65 0.11 0.34 9.38 0.00 -1.04 -0.71 121.76 131.49 3i55 s ALA 122 Ca -0.01 -1.09 0.05 0.00 0.00 0.00 0.00 51.96 50.92 3i55 s ALA 122 Cb -0.16 1.13 0.62 0.00 0.00 0.00 0.00 23.12 24.71 3i55 s ALA 122 CO -0.07 -0.80 1.87 -0.44 0.00 0.00 0.00 175.76 176.31 3i55 h ASP 123 N 2.31 0.43 -3.90 0.00 3.32 -1.76 -2.13 116.42 114.69 3i55 h ASP 123 Ca -0.28 -0.09 0.05 0.00 0.02 0.00 0.00 57.03 56.73 3i55 h ASP 123 Cb 1.25 -0.11 -0.23 0.00 0.22 0.00 0.00 39.33 40.45 3i55 h ASP 123 CO 0.39 0.54 0.44 -0.62 -1.72 0.00 0.00 179.24 178.27 3i55 s ASP 124 N -6.78 -0.46 0.23 6.45 2.15 -0.89 -3.62 116.67 113.76 3i55 s ASP 124 Ca -0.07 0.67 0.08 0.00 0.43 0.00 0.00 52.55 53.67 3i55 s ASP 124 Cb 0.15 0.61 -0.05 0.00 -0.30 0.00 0.00 42.92 43.33 3i55 s ASP 124 CO 0.76 -0.30 -0.14 -0.36 -0.17 0.00 0.00 175.17 174.96 3i55 s PHE 125 N -0.55 1.87 0.35 -5.34 0.40 -1.26 -0.33 117.98 113.11 3i55 s PHE 125 Ca -0.01 -0.55 -0.14 0.00 -0.60 0.00 0.00 56.93 55.64 3i55 s PHE 125 Cb -0.02 -0.89 -0.08 0.00 0.51 0.00 0.00 43.02 42.53 3i55 s PHE 125 CO -0.00 0.42 0.75 -1.54 0.70 0.00 0.00 175.22 175.55 3i55 s SER 126 N -3.38 6.70 0.61 1.36 1.04 -0.97 -4.92 113.70 114.14 3i55 s SER 126 Ca 0.25 1.25 0.28 0.00 0.48 0.00 0.00 55.95 58.21 3i55 s SER 126 Cb -0.01 -2.36 1.47 0.00 0.10 0.00 0.00 66.02 65.22 3i55 s SER 126 CO 0.09 -0.26 1.87 -0.08 0.98 0.00 0.00 173.24 175.84 3i55 h GLU 127 N 1.96 0.00 0.15 4.02 4.22 -2.01 -1.02 114.58 121.91 3i55 h GLU 127 Ca -0.48 0.00 -0.29 0.00 0.08 0.00 0.00 59.36 58.67 3i55 h GLU 127 Cb 1.18 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.44 3i55 h GLU 127 CO 0.65 0.00 -1.44 0.78 -2.18 0.00 0.00 179.01 176.82 3i55 h GLY 128 N 0.00 0.37 0.44 1.92 0.00 -1.92 -3.25 103.07 100.63 3i55 h GLY 128 Ca 0.18 -0.94 0.22 0.00 0.00 0.00 0.00 47.33 46.78 3i55 h GLY 128 CO -0.00 0.82 0.56 0.00 0.00 0.00 0.00 176.54 177.92 3i55 h ALA 129 N 0.03 2.64 0.50 3.60 0.00 -1.45 -1.70 119.26 122.89 3i55 h ALA 129 Ca -0.29 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 3i55 h ALA 129 Cb 1.88 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.72 3i55 h ALA 129 CO 0.12 -0.87 -0.24 0.00 0.00 0.00 0.00 179.25 178.27 3i55 h ARG 130 N 0.07 -0.65 -0.90 0.00 3.08 -1.58 -2.48 114.38 111.92 3i55 h ARG 130 Ca 0.38 0.04 0.10 0.00 0.07 0.00 0.00 59.98 60.57 3i55 h ARG 130 Cb 1.41 0.15 -0.12 0.00 0.08 0.00 0.00 29.97 31.48 3i55 h ARG 130 CO -0.03 -0.41 -0.53 0.93 -1.07 0.00 0.00 179.97 178.86 3i55 h GLU 131 N -1.16 -0.06 -0.00 0.04 5.08 -1.37 1.38 114.58 118.49 3i55 h GLU 131 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3i55 h GLU 131 Cb 0.53 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 3i55 h GLU 131 CO 0.11 -0.04 0.09 0.87 -1.00 0.00 0.00 179.01 179.05 3i55 h LYS 132 N -0.06 0.00 0.00 2.33 1.57 -1.42 0.19 116.57 119.18 3i55 h LYS 132 Ca 0.19 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.93 3i55 h LYS 132 Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3i55 h LYS 132 CO -0.89 0.00 -0.57 0.28 -0.57 0.00 0.00 179.45 177.70 3i55 h VAL 133 N 0.00 0.25 -0.51 0.50 2.07 0.22 -3.34 116.25 115.44 3i55 h VAL 133 Ca 0.00 -1.29 0.02 0.00 0.82 0.00 0.00 66.70 66.26 3i55 h VAL 133 Cb 0.19 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3i55 h VAL 133 CO -0.00 0.09 0.31 -0.33 0.02 0.00 0.00 177.57 177.66 3i55 h GLU 134 N -1.00 0.61 0.00 1.57 5.08 -0.48 -1.09 114.58 119.26 3i55 h GLU 134 Ca -0.07 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3i55 h GLU 134 Cb 0.61 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3i55 h GLU 134 CO -0.04 0.40 0.06 0.41 -1.00 0.00 0.00 179.01 178.84 3i55 n GLY 135 N -1.24 -0.59 1.79 -3.84 0.00 0.64 0.20 105.19 102.15 3i55 n GLY 135 Ca 0.03 0.07 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 3i55 n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i55 n ALA 136 N -1.56 5.16 -3.51 4.61 0.00 -0.42 -4.92 120.51 119.87 3i55 n ALA 136 Ca -0.00 -3.17 -0.23 0.00 0.00 0.00 0.00 53.44 50.04 3i55 n ALA 136 Cb 0.07 -1.12 0.04 0.00 0.00 0.00 0.00 19.45 18.44 3i55 n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i55 n GLY 137 N -1.07 -1.09 3.47 0.00 0.00 0.13 -3.83 105.19 102.79 3i55 n GLY 137 Ca 0.48 0.50 -0.10 0.00 0.00 0.00 0.00 46.02 46.91 3i55 n GLY 137 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i55 s GLY 138 N -3.35 -0.06 0.34 -0.02 0.00 -1.12 -4.46 107.32 98.65 3i55 s GLY 138 Ca 0.38 -0.27 0.09 0.00 0.00 0.00 0.00 44.72 44.92 3i55 s GLY 138 CO 0.82 -0.33 0.08 -1.35 0.00 0.00 0.00 173.10 172.32 3i55 s SER 139 N -2.87 4.46 -0.03 1.64 1.04 -0.94 -3.31 113.70 113.69 3i55 s SER 139 Ca 0.09 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.66 3i55 s SER 139 Cb -0.00 -0.65 0.03 0.00 0.10 0.00 0.00 66.02 65.49 3i55 s SER 139 CO -0.04 -0.26 0.00 0.54 0.98 0.00 0.00 173.24 174.47 3i55 s VAL 140 N -2.46 0.14 -0.13 5.02 0.11 -1.26 -2.59 120.40 119.22 3i55 s VAL 140 Ca 0.36 0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.51 3i55 s VAL 140 Cb -0.02 -0.23 -0.01 0.00 -1.53 0.00 0.00 36.38 34.59 3i55 s VAL 140 CO 0.21 0.13 -0.14 -1.61 -3.33 0.00 0.00 175.10 170.36 3i55 s GLU 141 N 0.94 3.33 -0.45 1.54 2.02 0.28 -4.95 118.70 121.40 3i55 s GLU 141 Ca -0.09 -0.71 -0.24 0.00 0.02 0.00 0.00 54.97 53.94 3i55 s GLU 141 Cb -0.13 -2.60 0.03 0.00 0.10 0.00 0.00 34.13 31.53 3i55 s GLU 141 CO -0.02 0.18 0.86 -1.17 0.02 0.00 0.00 175.26 175.13 3i55 s LEU 142 N 0.42 4.12 0.98 1.80 2.96 -1.26 -2.49 118.68 125.21 3i55 s LEU 142 Ca -0.11 0.03 -0.15 0.00 -0.22 0.00 0.00 54.13 53.68 3i55 s LEU 142 Cb -0.16 -3.09 -0.06 0.00 0.50 0.00 0.00 46.19 43.38 3i55 s LEU 142 CO 0.05 -0.98 -0.20 0.41 -1.32 0.00 0.00 176.35 174.31 3i55 n THR 143 N 6.28 0.00 -0.31 3.68 -1.04 -0.80 -4.62 114.28 117.47 3i55 n THR 143 Ca 0.04 -0.34 0.09 0.00 -2.04 0.00 0.00 64.05 61.80 3i55 n THR 143 Cb 0.48 -0.32 0.25 0.00 -1.82 0.00 0.00 70.33 68.93 3i55 n THR 143 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3i55 h ASP 144 N -1.29 0.58 0.82 8.00 3.32 -1.95 -0.83 116.42 125.06 3i55 h ASP 144 Ca -0.44 0.10 -0.04 0.00 0.02 0.00 0.00 57.03 56.67 3i55 h ASP 144 Cb 1.29 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.84 3i55 h ASP 144 CO 0.29 0.23 -0.48 0.25 -1.72 0.00 0.00 179.24 177.80 3i55 h LEU 145 N 0.65 -1.21 -0.41 1.55 6.46 -1.93 -1.25 115.31 119.17 3i55 h LEU 145 Ca 0.49 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 58.32 3i55 h LEU 145 Cb 0.72 0.35 0.00 0.00 -0.73 0.00 0.00 40.66 41.00 3i55 h LEU 145 CO -0.37 -0.76 0.36 0.61 -0.62 0.00 0.00 178.44 177.66 3i55 n GLY 146 N -1.63 -0.41 1.27 3.75 0.00 -0.37 -2.57 105.19 105.23 3i55 n GLY 146 Ca -0.15 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3i55 n GLY 146 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i55 n GLU 147 N -1.69 0.71 -0.12 1.61 1.02 -0.47 -2.81 120.64 118.89 3i55 n GLU 147 Ca -0.00 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.22 3i55 n GLU 147 Cb 0.37 -1.14 0.11 0.00 -0.02 0.00 0.00 31.44 30.76 3i55 n GLU 147 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 3i55 n GLU 148 N 1.07 1.22 -1.82 3.49 -0.00 -1.06 -4.91 120.64 118.63 3i55 n GLU 148 Ca 0.00 -2.32 -0.42 0.00 -0.00 0.00 0.00 57.16 54.42 3i55 n GLU 148 Cb 0.36 -1.35 -0.00 0.00 -0.00 0.00 0.00 31.44 30.45 3i55 n GLU 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3i55 n ARG 149 N -1.21 3.02 0.00 3.44 5.12 -1.12 -5.23 116.66 120.68 3i55 n ARG 149 Ca 0.13 -2.75 0.00 0.00 -1.93 0.00 0.00 57.85 53.31 3i55 n ARG 149 Cb 0.62 -3.21 0.00 0.00 -1.16 0.00 0.00 32.46 28.72 3i55 n ARG 149 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64