#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n8r s SER 2 N 0.00 5.26 0.10 8.00 1.04 -1.26 -5.00 113.70 121.85 1n8r s SER 2 Ca 0.00 0.31 -0.26 0.00 0.48 0.00 0.00 55.95 56.48 1n8r s SER 2 Cb 0.00 -1.19 -0.10 0.00 0.10 0.00 0.00 66.02 64.82 1n8r s SER 2 CO 0.00 -1.21 1.66 0.50 0.98 0.00 0.00 173.24 175.17 1n8r h LYS 3 N -0.15 -0.39 -0.26 4.02 3.64 -2.07 -2.81 116.57 118.54 1n8r h LYS 3 Ca -0.44 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.02 1n8r h LYS 3 Cb 1.29 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 33.12 1n8r h LYS 3 CO 0.57 -0.26 -0.40 0.87 -2.27 0.00 0.00 179.45 177.96 1n8r h LYS 4 N -0.41 -0.38 -1.24 1.90 1.57 -2.02 -0.09 116.57 115.91 1n8r h LYS 4 Ca 0.01 0.03 0.36 0.00 -1.87 0.00 0.00 60.65 59.18 1n8r h LYS 4 Cb 0.41 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.75 1n8r h LYS 4 CO -0.08 -0.25 0.91 -0.22 -0.57 0.00 0.00 179.45 179.24 1n8r h LYS 5 N -0.39 0.00 -0.01 3.15 1.63 -1.90 0.20 116.57 119.25 1n8r h LYS 5 Ca 0.11 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 1n8r h LYS 5 Cb 0.59 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 1n8r h LYS 5 CO -0.47 0.00 0.00 0.54 -3.45 0.00 0.00 179.45 176.07 1n8r n ARG 6 N -4.11 1.50 0.16 1.90 1.74 -0.05 -4.34 116.66 113.46 1n8r n ARG 6 Ca 0.27 -0.73 0.02 0.00 -0.77 0.00 0.00 57.85 56.64 1n8r n ARG 6 Cb 1.32 -1.48 0.22 0.00 -1.02 0.00 0.00 32.46 31.50 1n8r n ARG 6 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1n8r h GLN 7 N 1.78 0.00 -6.22 5.56 1.08 -0.56 -3.45 115.11 113.29 1n8r h GLN 7 Ca 0.00 0.00 -0.60 0.00 -1.45 0.00 0.00 58.65 56.60 1n8r h GLN 7 Cb 0.38 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.82 1n8r h GLN 7 CO 0.00 0.51 1.20 0.54 -0.95 0.00 0.00 178.83 180.14 1n8r n ARG 8 N -3.60 2.16 0.00 1.46 5.12 -1.26 -1.53 116.66 119.01 1n8r n ARG 8 Ca -0.00 0.76 0.00 0.00 -1.93 0.00 0.00 57.85 56.68 1n8r n ARG 8 Cb 0.59 -2.76 0.00 0.00 -1.16 0.00 0.00 32.46 29.13 1n8r n ARG 8 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1n8r n GLY 9 N 4.81 1.67 0.14 -0.13 0.00 -1.26 -4.92 105.19 105.50 1n8r n GLY 9 Ca 0.25 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.40 1n8r n GLY 9 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1n8r h SER 10 N 0.00 0.00 0.00 1.61 4.64 -1.58 -3.48 113.55 114.75 1n8r h SER 10 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n8r h SER 10 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1n8r h SER 10 CO 0.00 0.00 0.00 -1.14 -0.87 0.00 0.00 176.83 174.82 1n8r n ARG 11 N -2.52 0.00 -0.13 4.77 0.63 -1.26 -4.46 116.66 113.69 1n8r n ARG 11 Ca 0.05 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 57.07 1n8r n ARG 11 Cb 0.46 0.00 0.28 0.00 0.45 0.00 0.00 32.46 33.66 1n8r n ARG 11 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1n8r n THR 12 N 0.00 0.33 -4.31 5.15 -2.24 -1.26 -4.96 114.28 106.99 1n8r n THR 12 Ca 0.00 -0.41 -0.36 0.00 -2.27 0.00 0.00 64.05 61.01 1n8r n THR 12 Cb 0.00 0.33 -0.08 0.00 -2.10 0.00 0.00 70.33 68.47 1n8r n THR 12 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1n8r n HIS 13 N 0.44 -1.14 -1.09 4.78 8.25 -1.26 -0.02 115.22 125.19 1n8r n HIS 13 Ca 0.15 0.62 -0.03 0.00 -0.26 0.00 0.00 57.72 58.20 1n8r n HIS 13 Cb 0.33 -2.13 -0.01 0.00 1.12 0.00 0.00 29.99 29.29 1n8r n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n8r n GLY 14 N -1.65 0.55 0.34 -1.41 0.00 -1.26 -4.88 105.19 96.87 1n8r n GLY 14 Ca -0.07 -0.20 0.14 0.00 0.00 0.00 0.00 46.02 45.90 1n8r n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n8r n GLY 15 N -1.41 -0.31 6.15 -0.02 0.00 0.97 -5.04 105.19 105.53 1n8r n GLY 15 Ca -0.03 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1n8r n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n8r n GLY 16 N 1.16 0.40 3.71 -0.02 0.00 -1.26 -4.73 105.19 104.44 1n8r n GLY 16 Ca 0.19 -0.91 -0.38 0.00 0.00 0.00 0.00 46.02 44.92 1n8r n GLY 16 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1n8r n SER 17 N 4.73 2.07 0.00 1.61 2.88 -1.26 -4.81 113.62 118.84 1n8r n SER 17 Ca 0.00 0.91 0.07 0.00 -1.33 0.00 0.00 58.87 58.52 1n8r n SER 17 Cb 0.00 -1.52 0.32 0.00 -0.75 0.00 0.00 64.21 62.26 1n8r n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n8r n HIS 18 N -1.35 0.00 1.33 0.66 -0.00 -1.26 -1.54 115.22 113.06 1n8r n HIS 18 Ca 0.12 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.90 1n8r n HIS 18 Cb 0.46 -0.48 0.22 0.00 -0.00 0.00 0.00 29.99 30.18 1n8r n HIS 18 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1n8r n LYS 19 N -1.48 1.52 -0.04 -1.40 5.02 -1.26 -4.46 118.16 116.07 1n8r n LYS 19 Ca 0.04 -0.81 -0.02 0.00 -2.02 0.00 0.00 58.31 55.50 1n8r n LYS 19 Cb 0.17 -1.24 -0.01 0.00 -0.02 0.00 0.00 35.03 33.93 1n8r n LYS 19 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1n8r h ASN 20 N 1.41 0.00 -0.43 4.39 2.35 -1.58 -3.44 115.58 118.28 1n8r h ASN 20 Ca 0.00 0.00 -0.39 0.00 -0.55 0.00 0.00 56.30 55.36 1n8r h ASN 20 Cb 0.32 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.66 1n8r h ASN 20 CO 0.00 0.44 1.27 0.54 -1.65 0.00 0.00 177.43 178.04 1n8r n ARG 21 N -3.71 1.67 0.00 0.81 1.74 -1.26 -4.72 116.66 111.19 1n8r n ARG 21 Ca -0.04 -2.44 0.00 0.00 -0.77 0.00 0.00 57.85 54.60 1n8r n ARG 21 Cb 0.14 -3.63 0.00 0.00 -1.02 0.00 0.00 32.46 27.95 1n8r n ARG 21 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1n8r n ARG 22 N 8.13 0.00 -0.13 5.56 1.74 -1.26 -5.16 116.66 125.55 1n8r n ARG 22 Ca 0.46 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.54 1n8r n ARG 22 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.90 1n8r n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n8r n GLY 23 N 5.00 0.64 0.00 -0.13 0.00 -1.26 -4.94 105.19 104.49 1n8r n GLY 23 Ca 0.00 -1.87 0.08 0.00 0.00 0.00 0.00 46.02 44.24 1n8r n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8r n ALA 24 N -3.00 1.90 -0.04 4.61 0.00 -1.26 -2.81 120.51 119.91 1n8r n ALA 24 Ca 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 53.44 53.38 1n8r n ALA 24 Cb 0.00 -1.27 0.33 0.00 0.00 0.00 0.00 19.45 18.51 1n8r n ALA 24 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1n8r h GLY 25 N 2.80 0.66 2.00 0.00 0.00 -1.92 0.14 103.07 106.75 1n8r h GLY 25 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1n8r h GLY 25 CO 0.00 0.30 0.00 0.84 0.00 0.00 0.00 176.54 177.68 1n8r h HIS 26 N 0.61 0.00 -0.11 5.60 6.17 -1.83 -1.65 115.15 123.95 1n8r h HIS 26 Ca 0.15 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.23 1n8r h HIS 26 Cb 0.12 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.05 1n8r h HIS 26 CO 0.01 0.00 0.00 0.54 0.71 0.00 0.00 177.93 179.19 1n8r n ARG 27 N -2.68 1.61 -2.63 5.26 1.74 -0.08 -4.97 116.66 114.90 1n8r n ARG 27 Ca 0.01 -1.65 -0.15 0.00 -0.77 0.00 0.00 57.85 55.29 1n8r n ARG 27 Cb 0.27 -1.34 0.02 0.00 -1.02 0.00 0.00 32.46 30.38 1n8r n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n8r n GLY 28 N 0.98 -0.18 0.00 -0.13 0.00 -0.56 -4.83 105.19 100.47 1n8r n GLY 28 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1n8r n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n8r n GLY 29 N -1.21 3.15 3.72 -0.02 0.00 -0.50 -4.57 105.19 105.76 1n8r n GLY 29 Ca -0.11 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 1n8r n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1n8r s ARG 30 N -3.17 4.55 6.10 1.61 6.06 -1.26 -4.67 118.95 128.17 1n8r s ARG 30 Ca 0.00 1.30 0.00 0.00 -2.50 0.00 0.00 55.73 54.53 1n8r s ARG 30 Cb 0.00 -3.44 0.00 0.00 0.06 0.00 0.00 34.95 31.57 1n8r s ARG 30 CO 0.00 0.04 0.00 0.41 -2.50 0.00 0.00 175.30 173.25 1n8r n GLY 31 N 2.80 2.85 0.17 8.12 0.00 -1.26 -2.56 105.19 115.31 1n8r n GLY 31 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1n8r n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n8r n ASP 32 N 1.82 0.23 -4.51 1.61 8.00 -1.26 -4.92 116.55 117.51 1n8r n ASP 32 Ca 0.00 -1.33 -0.50 0.00 0.71 0.00 0.00 54.79 53.68 1n8r n ASP 32 Cb 0.00 -0.11 -0.04 0.00 -0.02 0.00 0.00 41.12 40.95 1n8r n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n8r n ALA 33 N -0.27 -1.87 -1.07 2.24 0.00 -1.06 -1.71 120.51 116.77 1n8r n ALA 33 Ca 0.00 0.47 -0.02 0.00 0.00 0.00 0.00 53.44 53.89 1n8r n ALA 33 Cb 0.06 -1.85 -0.01 0.00 0.00 0.00 0.00 19.45 17.65 1n8r n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n8r n GLY 34 N 1.80 0.53 0.00 0.00 0.00 -1.26 -4.78 105.19 101.48 1n8r n GLY 34 Ca 0.16 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1n8r n GLY 34 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1n8r n ARG 35 N -2.02 0.00 0.00 1.61 -4.01 -0.69 -0.81 116.66 110.74 1n8r n ARG 35 Ca -0.02 0.34 0.00 0.00 -1.04 0.00 0.00 57.85 57.13 1n8r n ARG 35 Cb 0.19 -1.52 0.00 0.00 -3.04 0.00 0.00 32.46 28.10 1n8r n ARG 35 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 1n8r n ASP 36 N -1.33 0.18 0.00 2.89 5.75 -1.26 -4.00 116.55 118.77 1n8r n ASP 36 Ca 0.00 -0.54 0.00 0.00 -0.01 0.00 0.00 54.79 54.24 1n8r n ASP 36 Cb 0.02 0.67 0.00 0.00 -1.03 0.00 0.00 41.12 40.78 1n8r n ASP 36 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1n8r n LYS 37 N -0.67 0.00 0.23 0.11 4.76 0.01 -4.78 118.16 117.82 1n8r n LYS 37 Ca 0.00 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.57 1n8r n LYS 37 Cb 0.01 0.00 0.32 0.00 -1.84 0.00 0.00 35.03 33.51 1n8r n LYS 37 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 1n8r h HIS 38 N 0.00 0.00 -0.51 2.13 2.07 -1.93 -3.31 115.15 113.60 1n8r h HIS 38 Ca 0.00 0.00 -0.37 0.00 -2.85 0.00 0.00 60.37 57.15 1n8r h HIS 38 Cb 0.00 0.00 -0.32 0.00 2.57 0.00 0.00 27.41 29.66 1n8r h HIS 38 CO 0.00 0.00 -0.78 0.39 -3.07 0.00 0.00 177.93 174.47 1n8r n GLU 39 N -3.09 2.80 0.22 5.12 1.02 -0.59 -4.81 120.64 121.31 1n8r n GLU 39 Ca 0.03 -3.81 0.07 0.00 -0.02 0.00 0.00 57.16 53.43 1n8r n GLU 39 Cb 0.47 -1.96 0.51 0.00 -0.02 0.00 0.00 31.44 30.43 1n8r n GLU 39 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1n8r h PHE 40 N 1.89 0.00 -1.79 -0.32 -5.15 -1.64 -3.40 116.94 106.53 1n8r h PHE 40 Ca 0.21 0.00 -0.67 0.00 -0.20 0.00 0.00 57.97 57.31 1n8r h PHE 40 Cb 1.40 0.00 0.07 0.00 0.22 0.00 0.00 35.95 37.63 1n8r h PHE 40 CO 0.77 0.25 0.35 0.72 -2.00 0.00 0.00 178.31 178.39 1n8r n HIS 41 N -3.84 1.37 -3.01 6.09 -0.00 -1.26 -2.67 115.22 111.90 1n8r n HIS 41 Ca -0.02 0.67 -0.22 0.00 -0.00 0.00 0.00 57.72 58.15 1n8r n HIS 41 Cb 0.34 -2.30 0.03 0.00 -0.00 0.00 0.00 29.99 28.07 1n8r n HIS 41 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1n8r n ASN 42 N 2.25 -6.11 -4.08 0.41 5.03 -1.26 -5.00 115.26 106.50 1n8r n ASN 42 Ca 0.17 -0.28 -0.28 0.00 0.87 0.00 0.00 54.58 55.06 1n8r n ASN 42 Cb 0.22 -4.94 -0.17 0.00 -1.02 0.00 0.00 39.78 33.87 1n8r n ASN 42 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1n8r s HIS 43 N -3.18 1.88 0.41 3.10 3.76 -1.09 -5.11 115.29 115.07 1n8r s HIS 43 Ca 0.30 -0.79 -0.25 0.00 -0.15 0.00 0.00 55.06 54.17 1n8r s HIS 43 Cb -0.13 -1.34 -0.10 0.00 1.11 0.00 0.00 32.58 32.12 1n8r s HIS 43 CO 0.37 -0.38 1.15 0.39 -0.85 0.00 0.00 174.74 175.41 1n8r n GLU 44 N 3.90 1.65 -0.68 1.40 1.02 -1.26 -4.91 120.64 121.76 1n8r n GLU 44 Ca -0.21 0.59 -0.31 0.00 -0.02 0.00 0.00 57.16 57.21 1n8r n GLU 44 Cb 0.52 -2.20 0.17 0.00 -0.02 0.00 0.00 31.44 29.90 1n8r n GLU 44 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1n8r n PRO 45 N 0.14 -0.69 -2.65 3.49 -0.04 -1.26 -5.00 135.00 128.98 1n8r n PRO 45 Ca 0.08 -0.15 -0.33 0.00 -0.04 0.00 0.00 63.50 63.06 1n8r n PRO 45 Cb 0.39 -2.19 -0.05 0.00 -0.04 0.00 0.00 33.50 31.60 1n8r n PRO 45 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1n8r s LEU 46 N -5.02 3.85 0.00 1.53 1.43 -1.26 -5.01 118.68 114.19 1n8r s LEU 46 Ca 0.64 1.72 0.00 0.00 -1.03 0.00 0.00 54.13 55.47 1n8r s LEU 46 Cb -0.22 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.46 1n8r s LEU 46 CO 0.62 -0.52 0.00 0.61 0.23 0.00 0.00 176.35 177.28 1n8r n GLY 47 N -0.73 2.83 3.85 -3.19 0.00 -1.26 -5.10 105.19 101.58 1n8r n GLY 47 Ca 0.07 -1.88 -0.22 0.00 0.00 0.00 0.00 46.02 43.99 1n8r n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n8r s LYS 48 N -1.92 3.02 -0.21 1.61 1.02 -1.26 -5.12 119.74 116.89 1n8r s LYS 48 Ca 0.00 -0.97 -0.10 0.00 0.02 0.00 0.00 55.97 54.92 1n8r s LYS 48 Cb 0.00 -2.64 0.08 0.00 -0.52 0.00 0.00 37.83 34.75 1n8r s LYS 48 CO 0.00 0.42 0.48 0.45 -0.92 0.00 0.00 175.35 175.78 1n8r s SER 49 N -3.76 -0.58 0.90 2.83 0.15 -1.26 -5.14 113.70 106.85 1n8r s SER 49 Ca 0.33 1.09 0.00 0.00 0.70 0.00 0.00 55.95 58.06 1n8r s SER 49 Cb -0.08 1.14 0.00 0.00 -1.71 0.00 0.00 66.02 65.37 1n8r s SER 49 CO 0.26 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.09 1n8r n GLY 50 N 4.64 0.24 2.82 9.45 0.00 -1.26 -5.00 105.19 116.08 1n8r n GLY 50 Ca -0.18 -0.92 -0.15 0.00 0.00 0.00 0.00 46.02 44.76 1n8r n GLY 50 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1n8r n PHE 51 N -0.49 -0.90 -4.05 1.61 -0.00 -1.26 -5.17 117.46 107.20 1n8r n PHE 51 Ca 0.00 -2.30 -0.12 0.00 -0.00 0.00 0.00 57.45 55.04 1n8r n PHE 51 Cb 0.00 0.33 -0.11 0.00 -0.00 0.00 0.00 39.48 39.70 1n8r n PHE 51 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 1n8r s LYS 52 N -3.01 0.50 0.13 3.97 1.02 -1.26 -5.15 119.74 115.94 1n8r s LYS 52 Ca 0.31 -0.78 -0.04 0.00 0.02 0.00 0.00 55.97 55.49 1n8r s LYS 52 Cb 0.01 -0.17 -0.05 0.00 -0.52 0.00 0.00 37.83 37.10 1n8r s LYS 52 CO 0.22 0.01 0.35 1.03 -0.92 0.00 0.00 175.35 176.05 1n8r s ARG 53 N -1.78 3.58 0.28 1.68 0.52 -1.26 -5.03 118.95 116.94 1n8r s ARG 53 Ca -0.09 -0.17 -0.30 0.00 -0.52 0.00 0.00 55.73 54.65 1n8r s ARG 53 Cb -0.08 -2.88 -0.13 0.00 0.52 0.00 0.00 34.95 32.38 1n8r s ARG 53 CO -0.01 0.48 1.34 -0.35 0.02 0.00 0.00 175.30 176.79 1n8r n PRO 54 N 0.05 2.04 -0.29 3.54 -0.04 -1.26 -4.85 135.00 134.20 1n8r n PRO 54 Ca -0.03 0.72 0.09 0.00 -0.04 0.00 0.00 63.50 64.25 1n8r n PRO 54 Cb 0.52 -2.33 0.23 0.00 -0.04 0.00 0.00 33.50 31.87 1n8r n PRO 54 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1n8r h GLN 55 N 3.43 0.12 -0.17 0.54 4.20 -1.97 0.96 115.11 122.22 1n8r h GLN 55 Ca -0.45 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.25 1n8r h GLN 55 Cb 1.28 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.03 1n8r h GLN 55 CO 0.70 0.08 0.00 0.36 -0.67 0.00 0.00 178.83 179.30 1n8r n LYS 56 N -5.33 0.91 -0.07 1.46 2.85 -1.26 -1.98 118.16 114.73 1n8r n LYS 56 Ca 0.18 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.46 1n8r n LYS 56 Cb 0.59 -1.09 0.06 0.00 -0.65 0.00 0.00 35.03 33.95 1n8r n LYS 56 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1n8r n VAL 57 N -0.40 1.11 -4.06 0.58 0.31 0.33 -4.99 118.33 111.21 1n8r n VAL 57 Ca 0.00 -1.12 -0.36 0.00 -0.01 0.00 0.00 64.34 62.85 1n8r n VAL 57 Cb 0.04 0.42 -0.07 0.00 -0.91 0.00 0.00 33.84 33.32 1n8r n VAL 57 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1n8r s GLN 58 N -1.20 3.27 -0.16 5.55 -0.21 -0.84 -4.96 119.66 121.10 1n8r s GLN 58 Ca 0.10 -0.24 -0.01 0.00 0.02 0.00 0.00 55.36 55.23 1n8r s GLN 58 Cb 0.07 -3.04 -0.01 0.00 1.00 0.00 0.00 33.01 31.03 1n8r s GLN 58 CO 0.05 0.75 -0.11 -1.21 -2.12 0.00 0.00 175.29 172.65 1n8r s GLU 59 N -1.01 3.33 -0.33 2.91 2.02 -1.26 -5.06 118.70 119.29 1n8r s GLU 59 Ca 0.15 -0.69 -0.09 0.00 0.02 0.00 0.00 54.97 54.36 1n8r s GLU 59 Cb -0.12 -2.74 0.01 0.00 0.10 0.00 0.00 34.13 31.39 1n8r s GLU 59 CO 0.04 0.03 0.15 -2.00 0.02 0.00 0.00 175.26 173.50 1n8r s GLU 60 N 0.83 3.03 -0.23 1.61 2.12 -1.26 -4.98 118.70 119.82 1n8r s GLU 60 Ca -0.04 -0.92 -0.21 0.00 0.36 0.00 0.00 54.97 54.16 1n8r s GLU 60 Cb -0.15 -3.57 -0.02 0.00 0.26 0.00 0.00 34.13 30.66 1n8r s GLU 60 CO 0.00 -0.54 0.67 0.00 -0.54 0.00 0.00 175.26 174.85 1n8r s ALA 61 N 1.55 3.59 -0.34 6.30 0.00 -1.26 -0.25 121.76 131.35 1n8r s ALA 61 Ca 0.03 -0.31 -0.29 0.00 0.00 0.00 0.00 51.96 51.39 1n8r s ALA 61 Cb -0.18 -3.06 0.02 0.00 0.00 0.00 0.00 23.12 19.90 1n8r s ALA 61 CO 0.05 -0.73 1.07 0.00 0.00 0.00 0.00 175.76 176.15 1n8r s ALA 62 N 2.33 3.46 0.27 0.00 0.00 0.77 -4.88 121.76 123.70 1n8r s ALA 62 Ca 0.29 -0.13 0.08 0.00 0.00 0.00 0.00 51.96 52.20 1n8r s ALA 62 Cb -0.16 -3.68 -0.04 0.00 0.00 0.00 0.00 23.12 19.25 1n8r s ALA 62 CO 0.09 -1.56 0.14 0.95 0.00 0.00 0.00 175.76 175.38 1n8r s THR 63 N 3.71 3.99 -0.28 0.00 -4.23 -1.26 0.57 115.64 118.14 1n8r s THR 63 Ca 0.45 -1.57 -0.23 0.00 -1.18 0.00 0.00 61.69 59.16 1n8r s THR 63 Cb -0.12 -3.19 0.09 0.00 1.34 0.00 0.00 72.50 70.62 1n8r s THR 63 CO 0.17 -0.33 0.81 -0.51 -0.54 0.00 0.00 174.62 174.22 1n8r s ILE 64 N -2.22 0.00 0.23 2.99 2.07 -0.99 -4.94 121.20 118.33 1n8r s ILE 64 Ca 0.33 0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.44 1n8r s ILE 64 Cb -0.07 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.44 1n8r s ILE 64 CO 0.23 0.00 0.61 -1.81 -1.91 0.00 0.00 174.94 172.07 1n8r s ASP 65 N 0.63 6.77 0.30 4.50 1.01 -1.26 0.07 116.67 128.70 1n8r s ASP 65 Ca -0.02 1.11 0.06 0.00 0.71 0.00 0.00 52.55 54.41 1n8r s ASP 65 Cb -0.05 -2.30 0.74 0.00 1.01 0.00 0.00 42.92 42.32 1n8r s ASP 65 CO -0.06 -0.04 1.77 -0.37 0.21 0.00 0.00 175.17 176.69 1n8r h VAL 66 N 2.32 0.69 -0.94 -1.27 -1.51 -1.03 -1.11 116.25 113.40 1n8r h VAL 66 Ca -0.48 -0.25 0.21 0.00 -1.23 0.00 0.00 66.70 64.95 1n8r h VAL 66 Cb 1.18 -0.11 -0.12 0.00 -2.13 0.00 0.00 31.29 30.11 1n8r h VAL 66 CO 0.67 0.13 0.51 -0.09 -1.23 0.00 0.00 177.57 177.56 1n8r h ARG 67 N 0.74 0.54 -0.01 5.19 2.43 -1.65 0.15 114.38 121.77 1n8r h ARG 67 Ca 0.58 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.71 1n8r h ARG 67 Cb 0.91 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1n8r h ARG 67 CO -0.39 0.36 0.00 1.49 -1.51 0.00 0.00 179.97 179.92 1n8r h GLU 68 N 0.56 0.02 0.43 0.20 4.81 -1.49 0.66 114.58 119.76 1n8r h GLU 68 Ca 0.58 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.80 1n8r h GLU 68 Cb 1.03 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.38 1n8r h GLU 68 CO -0.46 0.31 -0.51 0.82 -0.73 0.00 0.00 179.01 178.44 1n8r h ILE 69 N -0.28 0.01 -0.37 2.32 2.04 -1.27 -2.98 117.51 116.98 1n8r h ILE 69 Ca 0.00 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.94 1n8r h ILE 69 Cb 0.31 0.01 -0.08 0.00 -0.74 0.00 0.00 36.82 36.31 1n8r h ILE 69 CO 0.00 0.00 -0.15 -0.78 0.00 0.00 0.00 178.15 177.22 1n8r h ASP 70 N -0.96 -0.53 0.00 1.72 3.58 -0.75 -1.66 116.42 117.83 1n8r h ASP 70 Ca -0.05 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1n8r h ASP 70 Cb 0.86 0.30 0.00 0.00 1.72 0.00 0.00 39.33 42.21 1n8r h ASP 70 CO -0.11 -0.19 0.03 -0.62 -2.88 0.00 0.00 179.24 175.47 1n8r n GLU 71 N -5.34 0.11 -1.35 0.28 1.02 0.22 -2.59 120.64 112.98 1n8r n GLU 71 Ca 0.02 0.60 0.02 0.00 -0.02 0.00 0.00 57.16 57.78 1n8r n GLU 71 Cb 0.25 -1.88 0.10 0.00 -0.02 0.00 0.00 31.44 29.88 1n8r n GLU 71 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1n8r n ASN 72 N -2.09 1.73 0.19 1.62 3.02 -0.64 -4.86 115.26 114.23 1n8r n ASN 72 Ca -0.01 -2.91 -0.14 0.00 -0.03 0.00 0.00 54.58 51.48 1n8r n ASN 72 Cb 0.05 -0.41 -0.08 0.00 -0.61 0.00 0.00 39.78 38.73 1n8r n ASN 72 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1n8r h VAL 73 N 4.05 0.66 -0.68 2.41 -1.51 -1.26 -1.70 116.25 118.23 1n8r h VAL 73 Ca -0.07 -0.35 0.03 0.00 -1.23 0.00 0.00 66.70 65.08 1n8r h VAL 73 Cb 1.45 0.84 -0.04 0.00 -2.13 0.00 0.00 31.29 31.41 1n8r h VAL 73 CO 0.14 0.07 0.42 0.71 -1.23 0.00 0.00 177.57 177.67 1n8r h THR 74 N -0.67 1.07 0.00 7.19 1.35 -1.89 -1.61 112.91 118.35 1n8r h THR 74 Ca -0.05 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1n8r h THR 74 Cb 0.48 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.09 1n8r h THR 74 CO 0.08 0.15 0.00 -0.07 -0.25 0.00 0.00 175.52 175.43 1n8r h LEU 75 N 0.81 0.00 -4.60 3.87 3.38 -1.87 -2.82 115.31 114.08 1n8r h LEU 75 Ca 0.28 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.70 1n8r h LEU 75 Cb 0.04 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.60 1n8r h LEU 75 CO -0.12 0.00 0.51 0.18 0.09 0.00 0.00 178.44 179.10 1n8r n LEU 76 N -2.93 6.66 -0.04 1.67 4.77 -0.61 -4.66 117.00 121.86 1n8r n LEU 76 Ca -0.01 -4.19 0.23 0.00 -0.03 0.00 0.00 56.01 52.01 1n8r n LEU 76 Cb 0.17 -1.20 0.72 0.00 -2.33 0.00 0.00 43.42 40.77 1n8r n LEU 76 CO 0.22 1.73 1.21 0.00 -1.33 0.00 0.00 177.39 179.22 1n8r h ALA 77 N 2.98 2.52 -0.21 -1.18 0.00 -1.66 -1.17 119.26 120.54 1n8r h ALA 77 Ca 0.42 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.18 1n8r h ALA 77 Cb 0.60 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 1n8r h ALA 77 CO 0.98 -0.83 0.16 0.00 0.00 0.00 0.00 179.25 179.56 1n8r n ALA 78 N -2.57 3.99 -3.62 0.00 0.00 -1.26 -4.74 120.51 112.30 1n8r n ALA 78 Ca 0.12 -0.67 -0.08 0.00 0.00 0.00 0.00 53.44 52.81 1n8r n ALA 78 Cb 0.75 -1.14 -0.09 0.00 0.00 0.00 0.00 19.45 18.98 1n8r n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1n8r s ASP 79 N 0.96 -0.29 0.00 0.00 1.01 -0.44 -5.15 116.67 112.76 1n8r s ASP 79 Ca 0.13 0.96 0.00 0.00 0.71 0.00 0.00 52.55 54.35 1n8r s ASP 79 Cb 0.10 1.41 0.00 0.00 1.01 0.00 0.00 42.92 45.44 1n8r s ASP 79 CO 0.01 -0.24 0.00 0.47 0.21 0.00 0.00 175.17 175.62 1n8r n ASP 80 N 5.39 0.00 -4.09 0.27 9.92 -1.25 -4.77 116.55 122.02 1n8r n ASP 80 Ca -0.08 0.00 -0.24 0.00 -0.53 0.00 0.00 54.79 53.94 1n8r n ASP 80 Cb 0.49 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.82 1n8r n ASP 80 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1n8r s VAL 81 N 0.00 1.17 0.00 2.53 1.01 -1.26 -2.47 120.40 121.37 1n8r s VAL 81 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1n8r s VAL 81 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 1n8r s VAL 81 CO 0.00 0.34 0.00 0.00 0.00 0.00 0.00 175.10 175.44 1n8r n ALA 82 N 3.09 0.00 0.28 5.51 0.00 -1.26 -4.91 120.51 123.21 1n8r n ALA 82 Ca -0.17 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.29 1n8r n ALA 82 Cb 0.54 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.11 1n8r n ALA 82 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1n8r h GLU 83 N 0.00 0.00 -6.42 0.00 4.11 -2.01 -3.50 114.58 106.77 1n8r h GLU 83 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 58.95 1n8r h GLU 83 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1n8r h GLU 83 CO 0.00 0.00 -0.26 -0.06 0.07 0.00 0.00 179.01 178.76 1n8r s PHE 89 N -3.72 3.49 -0.15 2.06 0.40 0.50 -5.09 117.98 115.46 1n8r s PHE 89 Ca -0.01 0.27 -0.01 0.00 -0.60 0.00 0.00 56.93 56.58 1n8r s PHE 89 Cb 0.01 -1.82 0.04 0.00 0.51 0.00 0.00 43.02 41.77 1n8r s PHE 89 CO 0.04 0.21 -0.03 0.50 0.70 0.00 0.00 175.22 176.64 1n8r s ARG 90 N -4.16 1.21 -0.05 0.44 3.52 -1.03 -0.87 118.95 118.01 1n8r s ARG 90 Ca 0.38 -0.40 0.02 0.00 -0.13 0.00 0.00 55.73 55.61 1n8r s ARG 90 Cb -0.10 -1.85 0.02 0.00 -1.56 0.00 0.00 34.95 31.46 1n8r s ARG 90 CO 0.34 -0.43 -0.09 0.54 -0.81 0.00 0.00 175.30 174.85 1n8r s VAL 91 N 1.72 0.83 -0.67 7.11 0.11 -0.61 -3.84 120.40 125.05 1n8r s VAL 91 Ca 0.01 -0.31 -0.24 0.00 -2.93 0.00 0.00 61.98 58.51 1n8r s VAL 91 Cb -0.15 -0.79 0.06 0.00 -1.53 0.00 0.00 36.38 33.97 1n8r s VAL 91 CO -0.07 0.28 1.04 -0.62 -3.33 0.00 0.00 175.10 172.40 1n8r s ASP 92 N 0.69 6.19 0.46 3.54 -1.08 -1.26 -2.62 116.67 122.59 1n8r s ASP 92 Ca -0.12 -0.80 0.29 0.00 -0.52 0.00 0.00 52.55 51.40 1n8r s ASP 92 Cb -0.14 -2.45 1.36 0.00 -1.46 0.00 0.00 42.92 40.23 1n8r s ASP 92 CO 0.02 -1.52 1.73 0.58 0.52 0.00 0.00 175.17 176.51 1n8r h VAL 93 N 5.99 0.36 -0.26 1.11 2.07 -1.73 0.23 116.25 124.02 1n8r h VAL 93 Ca -0.28 -0.06 0.08 0.00 0.82 0.00 0.00 66.70 67.25 1n8r h VAL 93 Cb 1.07 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1n8r h VAL 93 CO 1.20 0.03 0.21 0.03 0.02 0.00 0.00 177.57 179.06 1n8r h ARG 94 N 0.17 0.00 -0.01 1.57 3.08 -1.91 0.11 114.38 117.39 1n8r h ARG 94 Ca 0.66 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.71 1n8r h ARG 94 Cb 2.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.20 1n8r h ARG 94 CO -0.21 0.00 -0.21 -0.25 -1.07 0.00 0.00 179.97 178.23 1n8r n ASP 95 N -4.26 0.95 -0.12 7.04 8.00 0.81 -4.29 116.55 124.67 1n8r n ASP 95 Ca 0.03 -0.87 -0.23 0.00 0.71 0.00 0.00 54.79 54.44 1n8r n ASP 95 Cb 0.36 0.08 -0.08 0.00 -0.02 0.00 0.00 41.12 41.47 1n8r n ASP 95 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1n8r n VAL 96 N -0.65 1.47 -1.81 2.53 0.31 0.28 -4.99 118.33 115.46 1n8r n VAL 96 Ca 0.13 -0.21 -0.42 0.00 -0.01 0.00 0.00 64.34 63.83 1n8r n VAL 96 Cb 0.33 -2.00 -0.02 0.00 -0.91 0.00 0.00 33.84 31.24 1n8r n VAL 96 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1n8r s VAL 97 N -2.60 2.19 0.58 2.52 1.01 -0.67 -5.01 120.40 118.41 1n8r s VAL 97 Ca -0.34 0.15 -0.08 0.00 0.00 0.00 0.00 61.98 61.70 1n8r s VAL 97 Cb 0.11 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 1n8r s VAL 97 CO 0.45 0.02 0.93 -1.61 0.00 0.00 0.00 175.10 174.89 1n8r s GLU 98 N 0.22 3.40 -1.00 2.72 2.02 -1.26 -3.63 118.70 121.16 1n8r s GLU 98 Ca 0.67 0.42 0.00 0.00 0.02 0.00 0.00 54.97 56.08 1n8r s GLU 98 Cb -0.47 -2.20 0.00 0.00 0.10 0.00 0.00 34.13 31.55 1n8r s GLU 98 CO 0.41 -0.52 0.00 0.39 0.02 0.00 0.00 175.26 175.56 1n8r n GLU 99 N -2.59 -0.95 -0.07 1.61 1.02 -1.26 -4.84 120.64 113.57 1n8r n GLU 99 Ca 0.04 0.78 0.01 0.00 -0.02 0.00 0.00 57.16 57.98 1n8r n GLU 99 Cb 0.55 -4.78 0.05 0.00 -0.02 0.00 0.00 31.44 27.25 1n8r n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1n8r n ALA 100 N 1.17 2.54 -0.06 0.62 0.00 -1.24 -3.44 120.51 120.10 1n8r n ALA 100 Ca -0.09 -0.20 -0.11 0.00 0.00 0.00 0.00 53.44 53.03 1n8r n ALA 100 Cb 0.38 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.80 1n8r n ALA 100 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1n8r n ASP 101 N -0.12 1.60 -0.46 0.00 8.00 -1.26 -4.46 116.55 119.84 1n8r n ASP 101 Ca 0.04 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.80 1n8r n ASP 101 Cb 0.16 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.65 1n8r n ASP 101 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1n8r n ASP 102 N -4.08 0.84 -4.62 -2.24 5.75 -1.25 -4.75 116.55 106.20 1n8r n ASP 102 Ca -0.19 -1.84 -0.34 0.00 -0.01 0.00 0.00 54.79 52.40 1n8r n ASP 102 Cb 0.50 -0.42 -0.10 0.00 -1.03 0.00 0.00 41.12 40.06 1n8r n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1n8r s ALA 103 N -1.08 3.21 0.37 2.12 0.00 -1.22 -4.93 121.76 120.22 1n8r s ALA 103 Ca 0.00 -0.80 0.36 0.00 0.00 0.00 0.00 51.96 51.52 1n8r s ALA 103 Cb 0.00 -1.57 1.76 0.00 0.00 0.00 0.00 23.12 23.31 1n8r s ALA 103 CO 0.00 0.41 2.14 0.22 0.00 0.00 0.00 175.76 178.53 1n8r h ASP 104 N 5.88 0.00 0.00 0.00 1.82 -0.91 -3.46 116.42 119.75 1n8r h ASP 104 Ca -0.42 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.22 1n8r h ASP 104 Cb 1.19 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.20 1n8r h ASP 104 CO 0.60 0.03 0.00 0.00 -1.61 0.00 0.00 179.24 178.25 1n8r n TYR 105 N -3.20 0.00 -3.24 0.28 0.18 -1.25 -5.02 117.16 104.92 1n8r n TYR 105 Ca -0.01 0.00 -0.39 0.00 1.88 0.00 0.00 57.90 59.38 1n8r n TYR 105 Cb 0.21 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.11 1n8r n TYR 105 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1n8r s VAL 106 N -2.00 5.12 -0.08 -3.48 1.01 -1.26 -0.16 120.40 119.55 1n8r s VAL 106 Ca 0.00 1.04 0.03 0.00 0.00 0.00 0.00 61.98 63.05 1n8r s VAL 106 Cb 0.00 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.52 1n8r s VAL 106 CO 0.00 0.24 -0.17 -0.75 0.00 0.00 0.00 175.10 174.42 1n8r s LYS 107 N 1.14 2.29 -0.21 2.72 2.20 0.19 -2.06 119.74 126.01 1n8r s LYS 107 Ca 0.27 -0.62 -0.17 0.00 -0.36 0.00 0.00 55.97 55.09 1n8r s LYS 107 Cb -0.16 -1.79 -0.03 0.00 -1.51 0.00 0.00 37.83 34.34 1n8r s LYS 107 CO 0.11 0.09 0.47 0.08 -0.36 0.00 0.00 175.35 175.74 1n8r s VAL 108 N 0.52 5.14 0.17 4.02 1.01 0.56 -2.36 120.40 129.46 1n8r s VAL 108 Ca -0.16 0.84 0.04 0.00 0.00 0.00 0.00 61.98 62.69 1n8r s VAL 108 Cb -0.17 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1n8r s VAL 108 CO 0.06 0.19 0.25 -0.76 0.00 0.00 0.00 175.10 174.84 1n8r s LEU 109 N 1.64 4.17 -1.02 3.92 1.43 0.11 -2.81 118.68 126.12 1n8r s LEU 109 Ca 0.22 0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 53.36 1n8r s LEU 109 Cb -0.15 -2.75 0.32 0.00 0.03 0.00 0.00 46.19 43.64 1n8r s LEU 109 CO 0.09 0.04 1.70 0.61 0.23 0.00 0.00 176.35 179.02 1n8r n GLY 110 N -0.61 5.89 3.49 -3.19 0.00 -1.26 -0.65 105.19 108.86 1n8r n GLY 110 Ca -0.08 -2.61 -0.36 0.00 0.00 0.00 0.00 46.02 42.98 1n8r n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8r s ALA 111 N -3.93 3.18 0.00 4.61 0.00 -1.26 -4.61 121.76 119.75 1n8r s ALA 111 Ca 0.38 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1n8r s ALA 111 Cb 0.16 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 21.31 1n8r s ALA 111 CO -0.07 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.83 1n8r n GLY 112 N 4.46 -1.75 3.88 0.00 0.00 -1.26 -2.49 105.19 108.02 1n8r n GLY 112 Ca -0.16 -2.04 -0.21 0.00 0.00 0.00 0.00 46.02 43.61 1n8r n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n8r s GLN 113 N 0.00 2.54 -0.20 1.61 -0.21 -1.26 -4.83 119.66 117.31 1n8r s GLN 113 Ca 0.00 -1.53 -0.02 0.00 0.02 0.00 0.00 55.36 53.83 1n8r s GLN 113 Cb 0.00 -2.39 0.06 0.00 1.00 0.00 0.00 33.01 31.69 1n8r s GLN 113 CO 0.00 -0.19 0.03 0.08 -2.12 0.00 0.00 175.29 173.09 1n8r s VAL 114 N -2.47 0.63 -1.82 1.09 1.01 -1.26 -4.16 120.40 113.42 1n8r s VAL 114 Ca 0.48 -0.64 0.20 0.00 0.00 0.00 0.00 61.98 62.02 1n8r s VAL 114 Cb -0.03 -1.12 0.55 0.00 0.00 0.00 0.00 36.38 35.77 1n8r s VAL 114 CO 0.28 -0.21 1.46 0.54 0.00 0.00 0.00 175.10 177.17 1n8r n ARG 115 N 5.01 2.70 -4.33 2.72 1.74 -1.26 -4.79 116.66 118.45 1n8r n ARG 115 Ca -0.09 -2.48 -0.17 0.00 -0.77 0.00 0.00 57.85 54.34 1n8r n ARG 115 Cb 0.47 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.30 1n8r n ARG 115 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1n8r s HIS 116 N -1.06 1.56 -0.45 -1.55 3.76 -1.26 -5.10 115.29 111.20 1n8r s HIS 116 Ca 0.42 -1.02 -0.22 0.00 -0.15 0.00 0.00 55.06 54.10 1n8r s HIS 116 Cb 0.22 -0.93 0.03 0.00 1.11 0.00 0.00 32.58 33.01 1n8r s HIS 116 CO 0.30 -0.14 0.71 -1.83 -0.85 0.00 0.00 174.74 172.92 1n8r s GLU 117 N -3.92 3.33 0.05 1.40 -1.05 -1.25 -4.78 118.70 112.48 1n8r s GLU 117 Ca 0.32 -0.27 0.07 0.00 -0.15 0.00 0.00 54.97 54.94 1n8r s GLU 117 Cb 0.07 -3.95 -0.03 0.00 -0.44 0.00 0.00 34.13 29.77 1n8r s GLU 117 CO 0.10 -1.07 -0.19 -0.51 0.95 0.00 0.00 175.26 174.55 1n8r s LEU 118 N 3.04 2.59 -0.32 1.83 1.43 -1.26 -0.37 118.68 125.62 1n8r s LEU 118 Ca 0.26 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 1n8r s LEU 118 Cb -0.13 -1.51 0.08 0.00 0.03 0.00 0.00 46.19 44.66 1n8r s LEU 118 CO 0.20 0.25 0.02 -0.89 0.23 0.00 0.00 176.35 176.16 1n8r s THR 119 N -0.94 2.60 -0.19 5.49 2.01 -0.05 -0.67 115.64 123.89 1n8r s THR 119 Ca 0.15 -1.87 -0.07 0.00 0.31 0.00 0.00 61.69 60.20 1n8r s THR 119 Cb -0.10 -2.69 -0.04 0.00 0.01 0.00 0.00 72.50 69.68 1n8r s THR 119 CO 0.06 -0.34 0.06 -0.76 -0.69 0.00 0.00 174.62 172.95 1n8r s LEU 120 N 1.08 3.73 -0.28 4.42 1.43 -0.75 -1.57 118.68 126.75 1n8r s LEU 120 Ca 0.01 0.02 -0.05 0.00 -1.03 0.00 0.00 54.13 53.08 1n8r s LEU 120 Cb -0.20 -1.95 0.01 0.00 0.03 0.00 0.00 46.19 44.08 1n8r s LEU 120 CO -0.05 0.13 0.03 -0.63 0.23 0.00 0.00 176.35 176.07 1n8r s ILE 121 N 0.61 3.63 0.08 -0.59 1.01 -1.08 0.52 121.20 125.37 1n8r s ILE 121 Ca 0.03 -0.76 -0.09 0.00 0.00 0.00 0.00 60.65 59.83 1n8r s ILE 121 Cb -0.13 -2.85 0.00 0.00 0.01 0.00 0.00 42.46 39.49 1n8r s ILE 121 CO 0.01 0.14 0.19 0.00 0.00 0.00 0.00 174.94 175.29 1n8r s ALA 122 N 1.45 -0.27 0.38 9.38 0.00 -0.83 -1.73 121.76 130.15 1n8r s ALA 122 Ca 0.02 -0.53 0.16 0.00 0.00 0.00 0.00 51.96 51.61 1n8r s ALA 122 Cb -0.17 0.44 0.88 0.00 0.00 0.00 0.00 23.12 24.27 1n8r s ALA 122 CO 0.00 -0.48 1.89 -0.44 0.00 0.00 0.00 175.76 176.73 1n8r h ASP 123 N 2.91 0.00 -5.00 0.00 3.32 -1.73 -2.57 116.42 113.34 1n8r h ASP 123 Ca -0.34 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.66 1n8r h ASP 123 Cb 1.20 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.57 1n8r h ASP 123 CO 0.54 0.30 0.14 -0.62 -1.72 0.00 0.00 179.24 177.88 1n8r s ASP 124 N -6.79 -0.59 0.05 6.45 2.15 -0.87 -4.05 116.67 113.02 1n8r s ASP 124 Ca -0.03 0.50 0.01 0.00 0.43 0.00 0.00 52.55 53.47 1n8r s ASP 124 Cb 0.14 0.53 -0.03 0.00 -0.30 0.00 0.00 42.92 43.26 1n8r s ASP 124 CO 0.70 -0.66 -0.06 -0.36 -0.17 0.00 0.00 175.17 174.61 1n8r s PHE 125 N -1.73 0.64 0.34 -5.34 0.40 -1.26 -0.32 117.98 110.71 1n8r s PHE 125 Ca -0.09 -0.66 0.03 0.00 -0.60 0.00 0.00 56.93 55.61 1n8r s PHE 125 Cb -0.01 -0.39 -0.02 0.00 0.51 0.00 0.00 43.02 43.11 1n8r s PHE 125 CO 0.05 -0.15 0.50 -1.54 0.70 0.00 0.00 175.22 174.78 1n8r s SER 126 N -2.05 6.12 0.09 1.36 1.04 -1.13 -4.96 113.70 114.17 1n8r s SER 126 Ca -0.04 0.14 -0.29 0.00 0.48 0.00 0.00 55.95 56.25 1n8r s SER 126 Cb -0.04 -1.67 -0.12 0.00 0.10 0.00 0.00 66.02 64.29 1n8r s SER 126 CO -0.02 -0.36 1.46 -0.33 0.98 0.00 0.00 173.24 174.97 1n8r h GLU 127 N 0.83 -0.60 -0.89 4.02 5.08 -2.00 -1.84 114.58 119.17 1n8r h GLU 127 Ca -0.49 0.04 0.22 0.00 -1.00 0.00 0.00 59.36 58.13 1n8r h GLU 127 Cb 1.24 0.14 -0.16 0.00 0.50 0.00 0.00 28.75 30.46 1n8r h GLU 127 CO 0.58 -0.40 -0.03 0.78 -1.00 0.00 0.00 179.01 178.94 1n8r h GLY 128 N -0.62 0.99 0.81 -3.84 0.00 -1.95 0.16 103.07 98.61 1n8r h GLY 128 Ca -0.01 0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.52 1n8r h GLY 128 CO -0.24 -0.40 0.19 0.00 0.00 0.00 0.00 176.54 176.10 1n8r h ALA 129 N 1.87 0.48 0.83 3.60 0.00 -1.66 -1.90 119.26 122.48 1n8r h ALA 129 Ca 0.50 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.38 1n8r h ALA 129 Cb 0.93 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.67 1n8r h ALA 129 CO -0.84 -0.17 -0.40 0.00 0.00 0.00 0.00 179.25 177.85 1n8r h ARG 130 N 0.40 -1.07 -0.54 0.00 3.08 0.05 -1.26 114.38 115.03 1n8r h ARG 130 Ca 0.17 0.07 0.09 0.00 0.07 0.00 0.00 59.98 60.38 1n8r h ARG 130 Cb 0.07 0.24 -0.11 0.00 0.08 0.00 0.00 29.97 30.26 1n8r h ARG 130 CO -0.12 -0.71 -0.36 0.93 -1.07 0.00 0.00 179.97 178.65 1n8r h GLU 131 N -1.25 -0.19 0.52 0.04 5.08 -1.16 0.42 114.58 118.02 1n8r h GLU 131 Ca -0.11 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1n8r h GLU 131 Cb 0.86 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1n8r h GLU 131 CO 0.19 -0.13 -0.45 0.87 -1.00 0.00 0.00 179.01 178.49 1n8r h LYS 132 N -0.20 -0.92 -0.78 2.33 1.57 -1.36 0.42 116.57 117.63 1n8r h LYS 132 Ca 0.21 0.06 0.17 0.00 -1.87 0.00 0.00 60.65 59.22 1n8r h LYS 132 Cb 0.55 0.21 -0.05 0.00 0.08 0.00 0.00 32.23 33.02 1n8r h LYS 132 CO -0.65 -0.62 0.53 0.28 -0.57 0.00 0.00 179.45 178.42 1n8r h VAL 133 N -0.96 0.74 0.03 0.50 2.07 -0.47 -1.75 116.25 116.42 1n8r h VAL 133 Ca -0.06 -0.11 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 1n8r h VAL 133 Cb 0.82 0.38 0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1n8r h VAL 133 CO -0.03 0.06 -0.30 -0.33 0.02 0.00 0.00 177.57 176.99 1n8r h GLU 134 N 0.33 0.14 -0.59 1.57 5.08 -0.57 0.41 114.58 120.94 1n8r h GLU 134 Ca 0.39 -0.20 0.17 0.00 -1.00 0.00 0.00 59.36 58.72 1n8r h GLU 134 Cb 1.03 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1n8r h GLU 134 CO -0.11 1.03 0.66 0.78 -1.00 0.00 0.00 179.01 180.37 1n8r h GLY 135 N -0.64 0.00 -3.91 -3.84 0.00 0.71 1.07 103.07 96.45 1n8r h GLY 135 Ca -0.05 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.75 1n8r h GLY 135 CO 0.06 0.00 0.68 0.00 0.00 0.00 0.00 176.54 177.28 1n8r n ALA 136 N -2.31 5.65 -3.61 3.60 0.00 -0.90 -4.86 120.51 118.08 1n8r n ALA 136 Ca 0.12 -2.89 -0.20 0.00 0.00 0.00 0.00 53.44 50.46 1n8r n ALA 136 Cb 0.88 -1.51 0.05 0.00 0.00 0.00 0.00 19.45 18.88 1n8r n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n8r n GLY 137 N -1.00 -0.33 3.63 0.00 0.00 0.36 -3.81 105.19 104.04 1n8r n GLY 137 Ca 0.58 0.12 -0.29 0.00 0.00 0.00 0.00 46.02 46.43 1n8r n GLY 137 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n8r s GLY 138 N -4.28 2.80 0.07 -0.02 0.00 0.13 -4.47 107.32 101.55 1n8r s GLY 138 Ca 0.05 -0.86 -0.00 0.00 0.00 0.00 0.00 44.72 43.91 1n8r s GLY 138 CO 0.78 -2.00 -0.04 -1.35 0.00 0.00 0.00 173.10 170.49 1n8r s SER 139 N -3.73 0.66 -0.16 1.64 1.04 0.16 -3.90 113.70 109.40 1n8r s SER 139 Ca 0.16 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.58 1n8r s SER 139 Cb 0.02 0.18 0.04 0.00 0.10 0.00 0.00 66.02 66.35 1n8r s SER 139 CO 0.09 -0.57 -0.08 -0.69 0.98 0.00 0.00 173.24 172.97 1n8r s VAL 140 N -3.85 1.31 -0.20 5.02 1.01 -1.26 -1.80 120.40 120.63 1n8r s VAL 140 Ca 0.09 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.30 1n8r s VAL 140 Cb 0.07 -1.40 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 1n8r s VAL 140 CO -0.08 0.23 0.10 -1.61 0.00 0.00 0.00 175.10 173.74 1n8r s GLU 141 N 1.56 4.06 -0.14 2.72 2.02 0.18 -4.96 118.70 124.13 1n8r s GLU 141 Ca 0.01 -0.29 -0.19 0.00 0.02 0.00 0.00 54.97 54.52 1n8r s GLU 141 Cb -0.15 -3.35 -0.04 0.00 0.10 0.00 0.00 34.13 30.69 1n8r s GLU 141 CO -0.08 0.23 0.54 -1.17 0.02 0.00 0.00 175.26 174.79 1n8r s LEU 142 N 0.54 4.23 1.27 1.80 2.96 -1.26 -1.96 118.68 126.25 1n8r s LEU 142 Ca 0.06 0.83 -0.16 0.00 -0.22 0.00 0.00 54.13 54.64 1n8r s LEU 142 Cb -0.12 -2.77 0.32 0.00 0.50 0.00 0.00 46.19 44.12 1n8r s LEU 142 CO 0.00 -0.10 0.99 -0.89 -1.32 0.00 0.00 176.35 175.03 1n8r s THR 143 N 1.08 1.76 0.25 3.68 2.01 -0.97 -4.77 115.64 118.69 1n8r s THR 143 Ca 0.27 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.26 1n8r s THR 143 Cb -0.16 -2.04 0.07 0.00 0.01 0.00 0.00 72.50 70.39 1n8r s THR 143 CO 0.11 0.00 1.70 0.44 -0.69 0.00 0.00 174.62 176.18 1n8r h ASP 144 N -2.95 0.65 -0.20 3.53 3.32 -1.97 0.01 116.42 118.82 1n8r h ASP 144 Ca -0.58 -0.21 -0.08 0.00 0.02 0.00 0.00 57.03 56.19 1n8r h ASP 144 Cb 1.34 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 1n8r h ASP 144 CO 0.44 0.84 -0.12 0.25 -1.72 0.00 0.00 179.24 178.93 1n8r h LEU 145 N 0.59 0.56 -0.77 1.55 6.46 -1.93 -0.43 115.31 121.34 1n8r h LEU 145 Ca 0.09 -0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 1n8r h LEU 145 Cb 0.63 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.41 1n8r h LEU 145 CO 0.04 0.71 0.00 0.61 -0.62 0.00 0.00 178.44 179.19 1n8r n GLY 146 N -0.58 -0.75 1.34 3.75 0.00 -0.04 -2.87 105.19 106.04 1n8r n GLY 146 Ca 0.01 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1n8r n GLY 146 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n8r n GLU 147 N -1.93 0.65 -2.49 1.61 1.02 -0.17 -3.89 120.64 115.44 1n8r n GLU 147 Ca -0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.86 1n8r n GLU 147 Cb 0.04 -1.17 -0.00 0.00 -0.02 0.00 0.00 31.44 30.28 1n8r n GLU 147 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1n8r n GLU 148 N 1.18 3.39 -3.69 3.49 1.02 -1.14 -4.92 120.64 119.98 1n8r n GLU 148 Ca 0.00 -4.49 -0.27 0.00 -0.02 0.00 0.00 57.16 52.37 1n8r n GLU 148 Cb 0.33 -2.25 -0.11 0.00 -0.02 0.00 0.00 31.44 29.39 1n8r n GLU 148 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1n8r n ARG 149 N -0.46 1.77 0.00 3.49 1.74 -1.25 -5.21 116.66 116.74 1n8r n ARG 149 Ca 0.39 -4.33 0.00 0.00 -0.77 0.00 0.00 57.85 53.14 1n8r n ARG 149 Cb 0.62 -2.16 0.00 0.00 -1.02 0.00 0.00 32.46 29.90 1n8r n ARG 149 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05