#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nji s SER 2 N 0.00 5.80 0.11 8.00 1.04 -1.26 -5.01 113.70 122.39 1nji s SER 2 Ca 0.00 0.04 -0.22 0.00 0.48 0.00 0.00 55.95 56.25 1nji s SER 2 Cb 0.00 -1.29 -0.07 0.00 0.10 0.00 0.00 66.02 64.75 1nji s SER 2 CO 0.00 -0.66 1.70 0.50 0.98 0.00 0.00 173.24 175.76 1nji h LYS 3 N 0.55 -0.09 -0.48 4.02 3.64 -2.07 -2.16 116.57 119.98 1nji h LYS 3 Ca -0.45 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.03 1nji h LYS 3 Cb 1.26 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 33.01 1nji h LYS 3 CO 0.54 -0.06 -0.17 0.87 -2.27 0.00 0.00 179.45 178.37 1nji h LYS 4 N -0.09 -0.06 -0.60 1.90 1.57 -2.02 -0.23 116.57 117.04 1nji h LYS 4 Ca 0.06 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 59.02 1nji h LYS 4 Cb 0.17 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1nji h LYS 4 CO -0.13 -0.04 0.45 -0.22 -0.57 0.00 0.00 179.45 178.94 1nji h LYS 5 N -0.06 0.00 -0.01 3.15 1.63 -1.79 -1.03 116.57 118.46 1nji h LYS 5 Ca 0.23 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.03 1nji h LYS 5 Cb 0.41 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.04 1nji h LYS 5 CO -0.52 0.00 -0.09 0.54 -3.45 0.00 0.00 179.45 175.92 1nji n ARG 6 N -4.26 1.08 0.17 1.90 1.74 -0.10 -4.32 116.66 112.87 1nji n ARG 6 Ca 0.12 -0.51 0.01 0.00 -0.77 0.00 0.00 57.85 56.70 1nji n ARG 6 Cb 0.69 -1.49 0.29 0.00 -1.02 0.00 0.00 32.46 30.93 1nji n ARG 6 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1nji h GLN 7 N 1.23 0.00 -6.25 5.56 1.08 -1.12 -3.45 115.11 112.16 1nji h GLN 7 Ca 0.00 0.00 -0.62 0.00 -1.45 0.00 0.00 58.65 56.58 1nji h GLN 7 Cb 0.39 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.84 1nji h GLN 7 CO 0.00 0.46 1.13 0.54 -0.95 0.00 0.00 178.83 180.02 1nji n ARG 8 N -3.98 2.11 0.00 1.46 5.12 -1.26 -1.53 116.66 118.57 1nji n ARG 8 Ca -0.02 0.76 0.00 0.00 -1.93 0.00 0.00 57.85 56.66 1nji n ARG 8 Cb 0.49 -2.65 0.00 0.00 -1.16 0.00 0.00 32.46 29.13 1nji n ARG 8 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1nji n GLY 9 N 4.57 0.66 0.02 -0.13 0.00 -1.26 -4.93 105.19 104.13 1nji n GLY 9 Ca 0.24 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.39 1nji n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nji n SER 10 N 0.00 0.42 0.00 1.61 3.41 -0.59 -4.96 113.62 113.51 1nji n SER 10 Ca 0.00 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1nji n SER 10 Cb 0.00 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 1nji n SER 10 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1nji n ARG 11 N -1.69 0.00 0.00 4.33 0.63 -1.26 -4.19 116.66 114.48 1nji n ARG 11 Ca 0.06 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.11 1nji n ARG 11 Cb 0.37 0.00 0.24 0.00 0.45 0.00 0.00 32.46 33.52 1nji n ARG 11 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1nji n THR 12 N 0.00 0.00 -4.11 5.15 -2.24 -1.26 -4.96 114.28 106.86 1nji n THR 12 Ca 0.00 -0.32 -0.31 0.00 -2.27 0.00 0.00 64.05 61.15 1nji n THR 12 Cb 0.00 0.99 -0.03 0.00 -2.10 0.00 0.00 70.33 69.19 1nji n THR 12 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1nji n HIS 13 N 0.42 -1.66 -0.95 4.78 8.25 -1.26 -0.81 115.22 123.98 1nji n HIS 13 Ca 0.14 0.76 0.00 0.00 -0.26 0.00 0.00 57.72 58.36 1nji n HIS 13 Cb 0.46 -3.31 0.00 0.00 1.12 0.00 0.00 29.99 28.27 1nji n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nji n GLY 14 N -1.78 0.25 0.10 -1.41 0.00 -1.26 -4.86 105.19 96.22 1nji n GLY 14 Ca -0.14 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.03 1nji n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nji n GLY 15 N -0.93 -0.79 5.98 -0.02 0.00 0.01 -5.02 105.19 104.43 1nji n GLY 15 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1nji n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nji n GLY 16 N 1.03 0.42 3.70 -0.02 0.00 -1.26 -4.69 105.19 104.37 1nji n GLY 16 Ca 0.23 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.92 1nji n GLY 16 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1nji n SER 17 N 4.61 2.30 0.00 1.61 2.88 -1.26 -4.79 113.62 118.97 1nji n SER 17 Ca 0.00 1.03 0.10 0.00 -1.33 0.00 0.00 58.87 58.67 1nji n SER 17 Cb 0.00 -1.50 0.55 0.00 -0.75 0.00 0.00 64.21 62.51 1nji n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nji n HIS 18 N -0.63 0.00 1.36 0.66 -0.00 -1.26 -1.89 115.22 113.46 1nji n HIS 18 Ca 0.09 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.94 1nji n HIS 18 Cb 0.42 -0.08 0.50 0.00 -0.00 0.00 0.00 29.99 30.83 1nji n HIS 18 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1nji n LYS 19 N -1.08 0.87 -0.00 -1.40 5.02 -1.26 -4.51 118.16 115.80 1nji n LYS 19 Ca 0.13 -0.43 -0.00 0.00 -2.02 0.00 0.00 58.31 56.00 1nji n LYS 19 Cb 0.09 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.61 1nji n LYS 19 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1nji h ASN 20 N 1.04 -0.00 -0.05 4.39 2.35 -1.67 -3.42 115.58 118.22 1nji h ASN 20 Ca 0.00 0.00 -0.43 0.00 -0.55 0.00 0.00 56.30 55.32 1nji h ASN 20 Cb 0.43 0.00 0.08 0.00 0.05 0.00 0.00 38.32 38.89 1nji h ASN 20 CO 0.00 0.01 1.12 0.54 -1.65 0.00 0.00 177.43 177.45 1nji n ARG 21 N -2.09 0.33 0.00 0.81 1.74 -1.26 -4.72 116.66 111.47 1nji n ARG 21 Ca -0.00 -1.40 0.00 0.00 -0.77 0.00 0.00 57.85 55.68 1nji n ARG 21 Cb 0.00 -3.02 0.00 0.00 -1.02 0.00 0.00 32.46 28.42 1nji n ARG 21 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1nji n ARG 22 N 7.92 0.00 0.00 5.56 1.74 -1.26 -5.15 116.66 125.48 1nji n ARG 22 Ca 0.46 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.54 1nji n ARG 22 Cb 0.43 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.87 1nji n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nji n GLY 23 N 5.00 0.77 0.14 -0.13 0.00 -1.26 -4.91 105.19 104.80 1nji n GLY 23 Ca 0.00 -1.62 0.12 0.00 0.00 0.00 0.00 46.02 44.52 1nji n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nji n ALA 24 N -3.00 1.63 -0.25 4.61 0.00 -1.26 -2.95 120.51 119.28 1nji n ALA 24 Ca 0.00 0.10 0.09 0.00 0.00 0.00 0.00 53.44 53.63 1nji n ALA 24 Cb 0.00 -1.39 0.34 0.00 0.00 0.00 0.00 19.45 18.40 1nji n ALA 24 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1nji h GLY 25 N 2.12 1.17 2.00 0.00 0.00 -1.92 0.32 103.07 106.76 1nji h GLY 25 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1nji h GLY 25 CO 0.00 0.17 0.00 1.57 0.00 0.00 0.00 176.54 178.28 1nji n HIS 26 N -4.53 0.48 0.39 5.60 -0.00 -1.15 -1.19 115.22 114.82 1nji n HIS 26 Ca 0.15 0.21 0.05 0.00 -0.00 0.00 0.00 57.72 58.13 1nji n HIS 26 Cb 0.35 -0.84 0.05 0.00 -0.00 0.00 0.00 29.99 29.55 1nji n HIS 26 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1nji n ARG 27 N -1.96 0.58 -1.60 1.57 1.74 0.10 -4.97 116.66 112.12 1nji n ARG 27 Ca 0.01 -1.17 -0.08 0.00 -0.77 0.00 0.00 57.85 55.85 1nji n ARG 27 Cb 0.13 -1.20 -0.02 0.00 -1.02 0.00 0.00 32.46 30.35 1nji n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nji n GLY 28 N 0.57 0.59 0.00 -0.13 0.00 -0.34 -4.82 105.19 101.07 1nji n GLY 28 Ca 0.06 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1nji n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nji n GLY 29 N -1.62 3.07 3.74 -0.02 0.00 -0.62 -4.63 105.19 105.11 1nji n GLY 29 Ca -0.08 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 1nji n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1nji s ARG 30 N -3.70 4.25 6.56 1.61 6.06 -1.26 -4.52 118.95 127.95 1nji s ARG 30 Ca 0.00 2.31 0.00 0.00 -2.50 0.00 0.00 55.73 55.54 1nji s ARG 30 Cb 0.00 -3.13 0.00 0.00 0.06 0.00 0.00 34.95 31.88 1nji s ARG 30 CO 0.00 -0.47 0.00 0.41 -2.50 0.00 0.00 175.30 172.74 1nji n GLY 31 N 2.67 3.25 0.67 8.12 0.00 -1.26 -2.22 105.19 116.43 1nji n GLY 31 Ca 0.09 -0.20 0.01 0.00 0.00 0.00 0.00 46.02 45.91 1nji n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nji n ASP 32 N 3.02 1.56 -4.63 1.61 8.00 -1.26 -4.93 116.55 119.92 1nji n ASP 32 Ca 0.00 -2.10 -0.47 0.00 0.71 0.00 0.00 54.79 52.93 1nji n ASP 32 Cb 0.00 -0.52 -0.04 0.00 -0.02 0.00 0.00 41.12 40.54 1nji n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nji n ALA 33 N 0.08 0.33 -0.87 2.24 0.00 -0.94 -1.61 120.51 119.74 1nji n ALA 33 Ca 0.03 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1nji n ALA 33 Cb 0.36 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1nji n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nji n GLY 34 N 2.31 0.78 0.00 0.00 0.00 -1.26 -4.78 105.19 102.24 1nji n GLY 34 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1nji n GLY 34 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1nji n ARG 35 N -2.37 0.00 0.00 1.61 -4.01 -0.63 0.10 116.66 111.36 1nji n ARG 35 Ca 0.00 0.17 0.00 0.00 -1.04 0.00 0.00 57.85 56.98 1nji n ARG 35 Cb 0.00 -1.60 0.00 0.00 -3.04 0.00 0.00 32.46 27.82 1nji n ARG 35 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 1nji n ASP 36 N -1.08 0.74 0.00 2.89 5.75 -1.26 -4.05 116.55 119.53 1nji n ASP 36 Ca 0.00 -0.95 0.00 0.00 -0.01 0.00 0.00 54.79 53.83 1nji n ASP 36 Cb 0.10 0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 1nji n ASP 36 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1nji n LYS 37 N -0.07 0.00 0.16 0.11 4.76 0.28 -4.81 118.16 118.59 1nji n LYS 37 Ca 0.00 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.57 1nji n LYS 37 Cb 0.04 0.00 0.52 0.00 -1.84 0.00 0.00 35.03 33.75 1nji n LYS 37 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 1nji h HIS 38 N 0.00 0.00 -0.68 2.13 2.07 -1.93 -3.22 115.15 113.53 1nji h HIS 38 Ca 0.00 0.00 -0.43 0.00 -2.85 0.00 0.00 60.37 57.09 1nji h HIS 38 Cb 0.00 0.00 -0.42 0.00 2.57 0.00 0.00 27.41 29.56 1nji h HIS 38 CO 0.00 0.00 -0.94 0.39 -3.07 0.00 0.00 177.93 174.31 1nji n GLU 39 N -2.40 2.79 0.22 5.12 1.02 -0.95 -4.83 120.64 121.61 1nji n GLU 39 Ca 0.02 -3.90 0.09 0.00 -0.02 0.00 0.00 57.16 53.35 1nji n GLU 39 Cb 0.26 -1.98 0.50 0.00 -0.02 0.00 0.00 31.44 30.19 1nji n GLU 39 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1nji h PHE 40 N 2.40 0.00 -1.82 -0.32 -5.15 -1.60 -3.39 116.94 107.05 1nji h PHE 40 Ca 0.15 0.00 -0.66 0.00 -0.20 0.00 0.00 57.97 57.27 1nji h PHE 40 Cb 1.39 0.00 0.05 0.00 0.22 0.00 0.00 35.95 37.61 1nji h PHE 40 CO 0.70 0.25 0.58 0.72 -2.00 0.00 0.00 178.31 178.56 1nji n HIS 41 N -3.59 1.75 -3.25 6.09 -0.00 -1.26 -2.80 115.22 112.15 1nji n HIS 41 Ca -0.01 0.53 -0.19 0.00 -0.00 0.00 0.00 57.72 58.05 1nji n HIS 41 Cb 0.39 -2.40 0.06 0.00 -0.00 0.00 0.00 29.99 28.04 1nji n HIS 41 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1nji n ASN 42 N 3.02 -5.50 -4.13 0.41 5.03 -1.26 -5.02 115.26 107.81 1nji n ASN 42 Ca 0.19 -0.38 -0.23 0.00 0.87 0.00 0.00 54.58 55.02 1nji n ASN 42 Cb 0.21 -4.17 -0.15 0.00 -1.02 0.00 0.00 39.78 34.65 1nji n ASN 42 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1nji s HIS 43 N -3.21 1.39 0.43 3.10 3.76 -1.12 -5.11 115.29 114.54 1nji s HIS 43 Ca 0.42 -0.28 -0.25 0.00 -0.15 0.00 0.00 55.06 54.80 1nji s HIS 43 Cb -0.18 -0.90 -0.08 0.00 1.11 0.00 0.00 32.58 32.52 1nji s HIS 43 CO 0.51 -0.04 1.27 -1.21 -0.85 0.00 0.00 174.74 174.42 1nji s GLU 44 N -0.31 3.83 0.84 1.40 2.02 -1.26 -4.93 118.70 120.28 1nji s GLU 44 Ca 0.05 2.05 -0.13 0.00 0.02 0.00 0.00 54.97 56.96 1nji s GLU 44 Cb -0.06 -2.61 0.05 0.00 0.10 0.00 0.00 34.13 31.60 1nji s GLU 44 CO -0.00 -0.58 0.81 -0.35 0.02 0.00 0.00 175.26 175.17 1nji n PRO 45 N -0.15 -0.00 -1.35 0.39 -0.04 -1.26 -4.98 135.00 127.60 1nji n PRO 45 Ca 0.05 0.06 -0.31 0.00 -0.04 0.00 0.00 63.50 63.27 1nji n PRO 45 Cb 0.45 -2.13 0.08 0.00 -0.04 0.00 0.00 33.50 31.86 1nji n PRO 45 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1nji s LEU 46 N -3.21 3.07 0.00 1.53 1.43 -1.26 -4.99 118.68 115.25 1nji s LEU 46 Ca 0.66 1.79 0.00 0.00 -1.03 0.00 0.00 54.13 55.55 1nji s LEU 46 Cb -0.27 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.43 1nji s LEU 46 CO 0.58 -1.90 0.00 0.61 0.23 0.00 0.00 176.35 175.87 1nji n GLY 47 N -1.32 3.16 3.76 -3.19 0.00 -1.26 -5.09 105.19 101.25 1nji n GLY 47 Ca 0.09 -1.89 -0.27 0.00 0.00 0.00 0.00 46.02 43.95 1nji n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nji s LYS 48 N -2.30 2.77 -0.21 1.61 1.02 -1.26 -5.13 119.74 116.25 1nji s LYS 48 Ca 0.00 -0.89 -0.09 0.00 0.02 0.00 0.00 55.97 55.01 1nji s LYS 48 Cb 0.00 -2.59 0.08 0.00 -0.52 0.00 0.00 37.83 34.80 1nji s LYS 48 CO 0.00 0.49 0.46 0.45 -0.92 0.00 0.00 175.35 175.83 1nji s SER 49 N -2.92 -0.48 0.57 2.83 0.15 -1.26 -5.14 113.70 107.45 1nji s SER 49 Ca 0.30 1.06 0.00 0.00 0.70 0.00 0.00 55.95 58.01 1nji s SER 49 Cb -0.10 1.27 0.00 0.00 -1.71 0.00 0.00 66.02 65.47 1nji s SER 49 CO 0.22 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.05 1nji n GLY 50 N 4.96 -1.09 3.36 9.45 0.00 -1.26 -5.00 105.19 115.61 1nji n GLY 50 Ca -0.14 -1.14 -0.13 0.00 0.00 0.00 0.00 46.02 44.61 1nji n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1nji s PHE 51 N 0.00 1.04 -0.01 1.61 -0.12 -1.26 -5.17 117.98 114.07 1nji s PHE 51 Ca 0.00 -1.25 0.05 0.00 -0.05 0.00 0.00 56.93 55.68 1nji s PHE 51 Cb 0.00 -0.32 -0.01 0.00 -0.63 0.00 0.00 43.02 42.06 1nji s PHE 51 CO 0.00 -0.85 -0.16 0.15 -0.05 0.00 0.00 175.22 174.31 1nji s LYS 52 N -3.82 1.30 0.21 1.99 1.02 -1.26 -5.13 119.74 114.04 1nji s LYS 52 Ca 0.34 -0.57 -0.13 0.00 0.02 0.00 0.00 55.97 55.63 1nji s LYS 52 Cb 0.03 -1.25 -0.07 0.00 -0.52 0.00 0.00 37.83 36.02 1nji s LYS 52 CO 0.15 0.34 0.60 1.03 -0.92 0.00 0.00 175.35 176.55 1nji s ARG 53 N -0.36 3.96 0.20 1.68 0.52 -1.26 -5.00 118.95 118.69 1nji s ARG 53 Ca 0.06 0.49 -0.33 0.00 -0.52 0.00 0.00 55.73 55.44 1nji s ARG 53 Cb -0.06 -2.75 -0.14 0.00 0.52 0.00 0.00 34.95 32.51 1nji s ARG 53 CO -0.01 0.37 1.37 -0.35 0.02 0.00 0.00 175.30 176.70 1nji n PRO 54 N 0.30 1.77 -0.38 3.54 -0.04 -1.26 -4.84 135.00 134.09 1nji n PRO 54 Ca -0.02 0.63 0.32 0.00 -0.04 0.00 0.00 63.50 64.39 1nji n PRO 54 Cb 0.52 -2.27 0.58 0.00 -0.04 0.00 0.00 33.50 32.29 1nji n PRO 54 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1nji h GLN 55 N 4.33 0.15 -0.80 0.54 4.20 -1.97 0.37 115.11 121.93 1nji h GLN 55 Ca -0.45 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.25 1nji h GLN 55 Cb 1.29 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.04 1nji h GLN 55 CO 0.77 0.10 0.00 0.36 -0.67 0.00 0.00 178.83 179.38 1nji n LYS 56 N -4.90 2.61 0.00 1.46 2.85 -1.26 -2.95 118.16 115.97 1nji n LYS 56 Ca 0.35 -1.32 0.00 0.00 -1.05 0.00 0.00 58.31 56.29 1nji n LYS 56 Cb 1.25 -1.80 0.00 0.00 -0.65 0.00 0.00 35.03 33.83 1nji n LYS 56 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1nji n VAL 57 N 0.27 0.75 -4.04 0.58 0.31 0.12 -5.01 118.33 111.31 1nji n VAL 57 Ca 0.12 -0.79 -0.36 0.00 -0.01 0.00 0.00 64.34 63.30 1nji n VAL 57 Cb 0.63 0.64 -0.08 0.00 -0.91 0.00 0.00 33.84 34.13 1nji n VAL 57 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1nji s GLN 58 N -0.75 3.39 -0.11 5.55 -0.21 -1.15 -4.99 119.66 121.38 1nji s GLN 58 Ca 0.00 -0.24 -0.01 0.00 0.02 0.00 0.00 55.36 55.13 1nji s GLN 58 Cb 0.00 -3.08 -0.03 0.00 1.00 0.00 0.00 33.01 30.90 1nji s GLN 58 CO 0.00 0.68 -0.06 -1.21 -2.12 0.00 0.00 175.29 172.58 1nji s GLU 59 N -0.77 3.16 -0.33 2.91 2.02 -1.26 -5.07 118.70 119.35 1nji s GLU 59 Ca 0.13 -0.55 -0.02 0.00 0.02 0.00 0.00 54.97 54.54 1nji s GLU 59 Cb -0.12 -2.71 0.06 0.00 0.10 0.00 0.00 34.13 31.46 1nji s GLU 59 CO 0.03 0.46 0.05 -2.00 0.02 0.00 0.00 175.26 173.82 1nji s GLU 60 N -0.26 2.34 0.10 1.61 2.12 -1.26 -5.00 118.70 118.35 1nji s GLU 60 Ca 0.04 -1.39 -0.30 0.00 0.36 0.00 0.00 54.97 53.68 1nji s GLU 60 Cb -0.13 -3.29 -0.06 0.00 0.26 0.00 0.00 34.13 30.91 1nji s GLU 60 CO 0.02 -0.73 0.97 0.00 -0.54 0.00 0.00 175.26 174.99 1nji s ALA 61 N 1.24 3.24 -0.36 6.30 0.00 -1.26 -1.22 121.76 129.69 1nji s ALA 61 Ca -0.02 0.58 -0.19 0.00 0.00 0.00 0.00 51.96 52.34 1nji s ALA 61 Cb -0.20 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1nji s ALA 61 CO -0.01 -0.06 0.54 0.00 0.00 0.00 0.00 175.76 176.23 1nji s ALA 62 N 0.11 3.46 0.30 0.00 0.00 0.20 -4.93 121.76 120.90 1nji s ALA 62 Ca 0.48 -1.04 0.08 0.00 0.00 0.00 0.00 51.96 51.47 1nji s ALA 62 Cb -0.23 -3.08 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 1nji s ALA 62 CO 0.30 -1.33 0.21 0.95 0.00 0.00 0.00 175.76 175.89 1nji s THR 63 N 2.48 3.70 -0.18 0.00 -4.23 -1.26 0.67 115.64 116.82 1nji s THR 63 Ca 0.20 -1.49 -0.28 0.00 -1.18 0.00 0.00 61.69 58.94 1nji s THR 63 Cb -0.15 -3.18 0.08 0.00 1.34 0.00 0.00 72.50 70.59 1nji s THR 63 CO 0.14 -0.25 0.75 -0.51 -0.54 0.00 0.00 174.62 174.21 1nji s ILE 64 N -2.28 0.00 -0.00 2.99 2.07 -0.85 -4.93 121.20 118.19 1nji s ILE 64 Ca 0.37 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.52 1nji s ILE 64 Cb -0.06 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.48 1nji s ILE 64 CO 0.25 0.00 0.30 -1.81 -1.91 0.00 0.00 174.94 171.77 1nji s ASP 65 N -0.32 6.58 0.35 4.50 1.01 -1.26 0.63 116.67 128.16 1nji s ASP 65 Ca -0.04 0.68 0.14 0.00 0.71 0.00 0.00 52.55 54.04 1nji s ASP 65 Cb -0.03 -2.14 1.02 0.00 1.01 0.00 0.00 42.92 42.78 1nji s ASP 65 CO 0.04 0.29 1.72 -0.37 0.21 0.00 0.00 175.17 177.05 1nji h VAL 66 N 3.34 0.46 -1.01 -1.27 -1.51 -1.35 0.14 116.25 115.06 1nji h VAL 66 Ca -0.51 -0.16 0.24 0.00 -1.23 0.00 0.00 66.70 65.05 1nji h VAL 66 Cb 1.21 -0.03 -0.11 0.00 -2.13 0.00 0.00 31.29 30.22 1nji h VAL 66 CO 0.63 0.08 0.62 -0.09 -1.23 0.00 0.00 177.57 177.59 1nji h ARG 67 N 0.45 0.54 -0.11 5.19 2.43 -1.62 0.17 114.38 121.43 1nji h ARG 67 Ca 0.66 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.72 1nji h ARG 67 Cb 1.47 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 1nji h ARG 67 CO -0.45 0.35 -0.25 1.49 -1.51 0.00 0.00 179.97 179.61 1nji h GLU 68 N 0.55 0.36 0.72 0.20 4.81 -1.00 -1.35 114.58 118.87 1nji h GLU 68 Ca 0.62 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 59.58 1nji h GLU 68 Cb 1.26 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 1nji h GLU 68 CO -0.40 0.84 -0.50 0.82 -0.73 0.00 0.00 179.01 179.04 1nji h ILE 69 N -0.08 0.00 -0.92 2.32 2.04 -1.12 -3.14 117.51 116.60 1nji h ILE 69 Ca -0.00 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.99 1nji h ILE 69 Cb 0.85 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.84 1nji h ILE 69 CO 0.05 0.00 0.54 -0.78 0.00 0.00 0.00 178.15 177.97 1nji h ASP 70 N -1.17 0.75 0.41 1.72 3.58 -0.80 -1.35 116.42 119.56 1nji h ASP 70 Ca -0.10 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1nji h ASP 70 Cb 0.95 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.93 1nji h ASP 70 CO 0.06 0.37 0.00 -0.62 -2.88 0.00 0.00 179.24 176.17 1nji n GLU 71 N -4.73 0.01 -1.14 0.28 1.02 -0.51 -3.09 120.64 112.48 1nji n GLU 71 Ca 0.18 0.29 0.05 0.00 -0.02 0.00 0.00 57.16 57.66 1nji n GLU 71 Cb 0.39 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.39 1nji n GLU 71 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1nji n ASN 72 N -1.49 1.21 0.21 1.62 3.02 -0.53 -4.87 115.26 114.42 1nji n ASN 72 Ca 0.03 -2.64 -0.15 0.00 -0.03 0.00 0.00 54.58 51.80 1nji n ASN 72 Cb 0.14 -0.37 -0.08 0.00 -0.61 0.00 0.00 39.78 38.85 1nji n ASN 72 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1nji h VAL 73 N 4.92 0.63 -0.82 2.41 -1.51 -1.43 -1.14 116.25 119.32 1nji h VAL 73 Ca -0.14 -0.28 0.06 0.00 -1.23 0.00 0.00 66.70 65.11 1nji h VAL 73 Cb 1.57 0.78 -0.06 0.00 -2.13 0.00 0.00 31.29 31.45 1nji h VAL 73 CO 0.06 0.05 0.50 0.71 -1.23 0.00 0.00 177.57 177.67 1nji h THR 74 N -0.66 1.04 0.00 7.19 1.35 -1.89 -1.24 112.91 118.70 1nji h THR 74 Ca -0.05 -0.32 -0.02 0.00 -0.55 0.00 0.00 66.41 65.47 1nji h THR 74 Cb 0.47 0.03 -0.00 0.00 -1.73 0.00 0.00 68.15 66.92 1nji h THR 74 CO 0.08 0.17 -0.09 -0.07 -0.25 0.00 0.00 175.52 175.36 1nji h LEU 75 N 0.93 0.00 -4.18 3.87 3.38 -1.87 -2.94 115.31 114.49 1nji h LEU 75 Ca 0.36 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.94 1nji h LEU 75 Cb 0.16 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.76 1nji h LEU 75 CO -0.17 0.09 0.23 0.18 0.09 0.00 0.00 178.44 178.86 1nji n LEU 76 N -3.44 6.19 -0.35 1.67 4.77 -0.44 -4.64 117.00 120.76 1nji n LEU 76 Ca -0.01 -3.69 0.34 0.00 -0.03 0.00 0.00 56.01 52.62 1nji n LEU 76 Cb 0.24 -1.24 0.72 0.00 -2.33 0.00 0.00 43.42 40.81 1nji n LEU 76 CO 0.28 1.61 1.32 0.00 -1.33 0.00 0.00 177.39 179.27 1nji h ALA 77 N 2.66 3.02 -0.13 -1.18 0.00 -1.68 -0.99 119.26 120.96 1nji h ALA 77 Ca 0.32 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 1nji h ALA 77 Cb 0.92 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1nji h ALA 77 CO 0.70 -1.39 0.07 0.00 0.00 0.00 0.00 179.25 178.62 1nji n ALA 78 N -2.73 4.57 -3.65 0.00 0.00 -1.26 -4.73 120.51 112.71 1nji n ALA 78 Ca 0.27 -0.66 -0.02 0.00 0.00 0.00 0.00 53.44 53.03 1nji n ALA 78 Cb 1.24 -1.25 -0.05 0.00 0.00 0.00 0.00 19.45 19.39 1nji n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1nji s ASP 79 N 1.52 -1.03 0.00 0.00 1.01 -0.38 -5.15 116.67 112.64 1nji s ASP 79 Ca 0.16 1.50 0.00 0.00 0.71 0.00 0.00 52.55 54.92 1nji s ASP 79 Cb 0.10 2.15 0.00 0.00 1.01 0.00 0.00 42.92 46.18 1nji s ASP 79 CO -0.01 -0.22 0.00 0.47 0.21 0.00 0.00 175.17 175.62 1nji n ASP 80 N 5.41 0.00 -4.12 0.27 9.92 -1.25 -4.77 116.55 122.01 1nji n ASP 80 Ca -0.12 0.00 -0.23 0.00 -0.53 0.00 0.00 54.79 53.92 1nji n ASP 80 Cb 0.49 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.82 1nji n ASP 80 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1nji s VAL 81 N 0.00 1.16 0.00 2.53 1.01 -1.26 -2.23 120.40 121.61 1nji s VAL 81 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1nji s VAL 81 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.41 1nji s VAL 81 CO 0.00 0.30 0.00 0.00 0.00 0.00 0.00 175.10 175.40 1nji n ALA 82 N 2.66 0.00 0.30 5.51 0.00 -1.26 -4.90 120.51 122.82 1nji n ALA 82 Ca -0.15 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.34 1nji n ALA 82 Cb 0.55 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.22 1nji n ALA 82 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1nji h GLU 83 N 0.00 0.00 -6.41 0.00 4.11 -2.00 -3.50 114.58 106.78 1nji h GLU 83 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.90 1nji h GLU 83 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1nji h GLU 83 CO 0.00 0.00 -0.17 -0.06 0.07 0.00 0.00 179.01 178.85 1nji s PHE 89 N -3.86 3.46 -0.16 2.06 0.40 -0.64 -5.09 117.98 114.16 1nji s PHE 89 Ca -0.01 0.67 -0.01 0.00 -0.60 0.00 0.00 56.93 56.98 1nji s PHE 89 Cb 0.02 -2.11 0.04 0.00 0.51 0.00 0.00 43.02 41.48 1nji s PHE 89 CO 0.07 0.25 -0.04 0.50 0.70 0.00 0.00 175.22 176.71 1nji s ARG 90 N -3.19 1.25 -0.03 0.44 3.52 -0.95 -0.83 118.95 119.15 1nji s ARG 90 Ca 0.44 -0.43 0.03 0.00 -0.13 0.00 0.00 55.73 55.64 1nji s ARG 90 Cb -0.11 -1.90 0.00 0.00 -1.56 0.00 0.00 34.95 31.38 1nji s ARG 90 CO 0.27 -0.44 -0.12 0.54 -0.81 0.00 0.00 175.30 174.73 1nji s VAL 91 N 1.70 1.06 -0.58 7.11 0.11 -0.86 -3.77 120.40 125.17 1nji s VAL 91 Ca 0.01 -0.51 -0.23 0.00 -2.93 0.00 0.00 61.98 58.33 1nji s VAL 91 Cb -0.15 -0.92 0.05 0.00 -1.53 0.00 0.00 36.38 33.83 1nji s VAL 91 CO -0.07 0.32 0.90 -0.62 -3.33 0.00 0.00 175.10 172.29 1nji s ASP 92 N 0.16 6.27 0.29 3.54 -1.08 -1.26 -2.62 116.67 121.96 1nji s ASP 92 Ca -0.04 -0.65 0.03 0.00 -0.52 0.00 0.00 52.55 51.37 1nji s ASP 92 Cb -0.10 -2.41 0.73 0.00 -1.46 0.00 0.00 42.92 39.68 1nji s ASP 92 CO 0.01 -1.24 1.65 0.58 0.52 0.00 0.00 175.17 176.70 1nji h VAL 93 N 5.98 0.34 -1.11 1.11 2.07 -1.54 0.94 116.25 124.03 1nji h VAL 93 Ca -0.27 -0.08 0.32 0.00 0.82 0.00 0.00 66.70 67.48 1nji h VAL 93 Cb 1.08 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 1nji h VAL 93 CO 1.10 0.04 0.79 0.03 0.02 0.00 0.00 177.57 179.55 1nji h ARG 94 N 0.24 0.06 0.00 1.57 3.08 -1.92 0.70 114.38 118.11 1nji h ARG 94 Ca 0.56 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.61 1nji h ARG 94 Cb 1.13 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.17 1nji h ARG 94 CO -0.64 0.04 -0.30 -0.25 -1.07 0.00 0.00 179.97 177.76 1nji n ASP 95 N -4.27 0.41 -0.10 7.04 8.00 0.32 -4.26 116.55 123.70 1nji n ASP 95 Ca 0.24 0.17 -0.15 0.00 0.71 0.00 0.00 54.79 55.76 1nji n ASP 95 Cb 1.14 -0.14 -0.06 0.00 -0.02 0.00 0.00 41.12 42.03 1nji n ASP 95 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1nji n VAL 96 N -1.71 1.49 -1.75 2.53 0.31 0.24 -4.97 118.33 114.46 1nji n VAL 96 Ca 0.06 0.03 -0.42 0.00 -0.01 0.00 0.00 64.34 63.99 1nji n VAL 96 Cb 0.37 -2.19 -0.02 0.00 -0.91 0.00 0.00 33.84 31.09 1nji n VAL 96 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1nji s VAL 97 N -2.44 2.06 0.59 2.52 1.01 -0.79 -5.02 120.40 118.34 1nji s VAL 97 Ca -0.26 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 61.67 1nji s VAL 97 Cb 0.06 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 1nji s VAL 97 CO 0.42 0.00 0.97 -1.61 0.00 0.00 0.00 175.10 174.89 1nji s GLU 98 N 0.54 3.49 -0.79 2.72 2.02 -1.26 -3.58 118.70 121.83 1nji s GLU 98 Ca 0.70 0.56 0.00 0.00 0.02 0.00 0.00 54.97 56.26 1nji s GLU 98 Cb -0.49 -2.15 0.00 0.00 0.10 0.00 0.00 34.13 31.59 1nji s GLU 98 CO 0.38 -0.53 0.00 0.39 0.02 0.00 0.00 175.26 175.52 1nji n GLU 99 N -2.65 -0.98 -0.02 1.61 1.02 -1.26 -4.85 120.64 113.51 1nji n GLU 99 Ca 0.05 0.68 0.00 0.00 -0.02 0.00 0.00 57.16 57.87 1nji n GLU 99 Cb 0.55 -4.65 0.01 0.00 -0.02 0.00 0.00 31.44 27.33 1nji n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nji n ALA 100 N 1.14 2.51 -0.05 0.62 0.00 -1.24 -3.44 120.51 120.06 1nji n ALA 100 Ca -0.07 -0.05 -0.10 0.00 0.00 0.00 0.00 53.44 53.22 1nji n ALA 100 Cb 0.36 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.78 1nji n ALA 100 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1nji n ASP 101 N -0.26 1.30 -0.67 0.00 8.00 -1.26 -4.48 116.55 119.18 1nji n ASP 101 Ca 0.01 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.72 1nji n ASP 101 Cb 0.12 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 1nji n ASP 101 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1nji n ASP 102 N -3.84 1.61 -4.58 -2.24 5.75 -1.25 -4.74 116.55 107.26 1nji n ASP 102 Ca -0.18 -1.91 -0.32 0.00 -0.01 0.00 0.00 54.79 52.37 1nji n ASP 102 Cb 0.48 -0.48 -0.11 0.00 -1.03 0.00 0.00 41.12 39.98 1nji n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nji s ALA 103 N -0.64 2.96 -0.34 2.12 0.00 -1.22 -4.93 121.76 119.70 1nji s ALA 103 Ca 0.00 -1.04 0.27 0.00 0.00 0.00 0.00 51.96 51.20 1nji s ALA 103 Cb 0.00 -1.08 0.97 0.00 0.00 0.00 0.00 23.12 23.00 1nji s ALA 103 CO 0.00 0.61 1.79 0.22 0.00 0.00 0.00 175.76 178.38 1nji h ASP 104 N 4.56 0.00 0.00 0.00 1.82 -1.46 -3.47 116.42 117.87 1nji h ASP 104 Ca -0.48 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.16 1nji h ASP 104 Cb 1.17 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.18 1nji h ASP 104 CO 0.53 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 178.16 1nji n TYR 105 N -2.65 0.00 -3.74 0.28 0.18 -1.26 -5.01 117.16 104.96 1nji n TYR 105 Ca 0.03 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.45 1nji n TYR 105 Cb 0.34 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.21 1nji n TYR 105 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1nji s VAL 106 N -2.00 5.33 -0.07 -3.48 1.01 -1.26 0.59 120.40 120.52 1nji s VAL 106 Ca 0.00 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.18 1nji s VAL 106 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1nji s VAL 106 CO 0.00 0.42 -0.20 -0.75 0.00 0.00 0.00 175.10 174.57 1nji s LYS 107 N 0.54 2.30 -0.20 2.72 2.20 0.21 -1.94 119.74 125.57 1nji s LYS 107 Ca 0.07 -0.70 -0.15 0.00 -0.36 0.00 0.00 55.97 54.83 1nji s LYS 107 Cb -0.12 -1.86 -0.04 0.00 -1.51 0.00 0.00 37.83 34.30 1nji s LYS 107 CO -0.00 0.20 0.36 0.08 -0.36 0.00 0.00 175.35 175.63 1nji s VAL 108 N 0.24 5.23 0.26 4.02 1.01 0.30 -2.00 120.40 129.45 1nji s VAL 108 Ca -0.11 0.63 0.06 0.00 0.00 0.00 0.00 61.98 62.57 1nji s VAL 108 Cb -0.15 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1nji s VAL 108 CO 0.05 0.27 0.28 -0.76 0.00 0.00 0.00 175.10 174.94 1nji s LEU 109 N 1.23 3.97 -0.81 3.92 1.43 0.21 -2.75 118.68 125.87 1nji s LEU 109 Ca 0.17 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 1nji s LEU 109 Cb -0.14 -2.53 0.35 0.00 0.03 0.00 0.00 46.19 43.89 1nji s LEU 109 CO 0.07 -0.10 1.63 0.61 0.23 0.00 0.00 176.35 178.79 1nji n GLY 110 N -1.30 5.85 3.66 -3.19 0.00 -1.26 -1.35 105.19 107.59 1nji n GLY 110 Ca -0.07 -2.61 -0.35 0.00 0.00 0.00 0.00 46.02 42.98 1nji n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nji s ALA 111 N -3.99 3.51 0.00 4.61 0.00 -1.26 -4.64 121.76 119.99 1nji s ALA 111 Ca 0.46 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1nji s ALA 111 Cb 0.31 -2.05 0.00 0.00 0.00 0.00 0.00 23.12 21.38 1nji s ALA 111 CO -0.23 0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.04 1nji n GLY 112 N 3.68 -1.67 3.94 0.00 0.00 -1.26 -2.33 105.19 107.55 1nji n GLY 112 Ca -0.16 -2.05 -0.20 0.00 0.00 0.00 0.00 46.02 43.60 1nji n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nji s GLN 113 N 0.00 2.57 -0.23 1.61 -0.21 -1.26 -4.81 119.66 117.33 1nji s GLN 113 Ca 0.00 -1.50 -0.04 0.00 0.02 0.00 0.00 55.36 53.84 1nji s GLN 113 Cb 0.00 -2.51 0.08 0.00 1.00 0.00 0.00 33.01 31.58 1nji s GLN 113 CO 0.00 -0.34 0.09 0.08 -2.12 0.00 0.00 175.29 173.01 1nji s VAL 114 N -2.48 0.12 -1.41 1.09 1.01 -1.26 -4.16 120.40 113.30 1nji s VAL 114 Ca 0.51 -0.56 0.18 0.00 0.00 0.00 0.00 61.98 62.11 1nji s VAL 114 Cb -0.06 -0.90 0.66 0.00 0.00 0.00 0.00 36.38 36.08 1nji s VAL 114 CO 0.30 -0.46 1.56 0.54 0.00 0.00 0.00 175.10 177.04 1nji n ARG 115 N 5.19 3.29 -4.20 2.72 1.74 -1.26 -4.75 116.66 119.39 1nji n ARG 115 Ca -0.07 -2.63 -0.12 0.00 -0.77 0.00 0.00 57.85 54.27 1nji n ARG 115 Cb 0.46 -1.77 -0.10 0.00 -1.02 0.00 0.00 32.46 30.03 1nji n ARG 115 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1nji s HIS 116 N -1.62 1.04 -0.33 -1.55 3.76 -1.26 -5.10 115.29 110.23 1nji s HIS 116 Ca 0.48 -1.03 -0.23 0.00 -0.15 0.00 0.00 55.06 54.13 1nji s HIS 116 Cb 0.29 -0.60 0.00 0.00 1.11 0.00 0.00 32.58 33.39 1nji s HIS 116 CO 0.26 -0.25 0.77 -1.83 -0.85 0.00 0.00 174.74 172.84 1nji s GLU 117 N -3.91 3.88 -0.01 1.40 -1.05 -1.24 -4.77 118.70 113.00 1nji s GLU 117 Ca 0.20 0.46 0.07 0.00 -0.15 0.00 0.00 54.97 55.55 1nji s GLU 117 Cb 0.06 -3.76 -0.02 0.00 -0.44 0.00 0.00 34.13 29.98 1nji s GLU 117 CO 0.01 -0.73 -0.23 -0.51 0.95 0.00 0.00 175.26 174.75 1nji s LEU 118 N 2.98 2.06 -0.45 1.83 1.43 -1.26 -1.62 118.68 123.65 1nji s LEU 118 Ca 0.31 -0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 52.96 1nji s LEU 118 Cb -0.14 -1.16 0.12 0.00 0.03 0.00 0.00 46.19 45.04 1nji s LEU 118 CO 0.14 0.27 0.25 -0.89 0.23 0.00 0.00 176.35 176.35 1nji s THR 119 N -0.56 3.38 -0.20 5.49 2.01 -0.01 -1.09 115.64 124.66 1nji s THR 119 Ca 0.09 -2.23 -0.10 0.00 0.31 0.00 0.00 61.69 59.76 1nji s THR 119 Cb -0.09 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.08 1nji s THR 119 CO -0.01 -0.73 0.15 -0.76 -0.69 0.00 0.00 174.62 172.58 1nji s LEU 120 N 0.91 4.21 -0.24 4.42 1.43 -0.53 -2.02 118.68 126.87 1nji s LEU 120 Ca 0.10 0.26 -0.03 0.00 -1.03 0.00 0.00 54.13 53.42 1nji s LEU 120 Cb -0.22 -2.12 0.01 0.00 0.03 0.00 0.00 46.19 43.88 1nji s LEU 120 CO -0.04 0.17 -0.04 -0.63 0.23 0.00 0.00 176.35 176.04 1nji s ILE 121 N 0.40 3.24 0.26 -0.59 1.01 -1.08 0.38 121.20 124.83 1nji s ILE 121 Ca 0.09 -0.71 -0.15 0.00 0.00 0.00 0.00 60.65 59.89 1nji s ILE 121 Cb -0.11 -2.55 0.00 0.00 0.01 0.00 0.00 42.46 39.81 1nji s ILE 121 CO -0.01 0.31 0.55 0.00 0.00 0.00 0.00 174.94 175.79 1nji s ALA 122 N 1.43 -0.48 -0.37 9.38 0.00 -1.00 -1.21 121.76 129.50 1nji s ALA 122 Ca 0.04 -0.75 0.26 0.00 0.00 0.00 0.00 51.96 51.51 1nji s ALA 122 Cb -0.15 1.00 0.70 0.00 0.00 0.00 0.00 23.12 24.67 1nji s ALA 122 CO -0.03 -0.91 1.73 -0.44 0.00 0.00 0.00 175.76 176.11 1nji h ASP 123 N 2.17 0.00 -4.34 0.00 3.32 -1.71 -1.53 116.42 114.33 1nji h ASP 123 Ca -0.24 0.00 0.08 0.00 0.02 0.00 0.00 57.03 56.89 1nji h ASP 123 Cb 1.25 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.60 1nji h ASP 123 CO 0.32 0.00 0.51 -0.62 -1.72 0.00 0.00 179.24 177.73 1nji s ASP 124 N -5.64 -0.39 0.12 6.45 2.15 -1.03 -4.12 116.67 114.22 1nji s ASP 124 Ca 0.06 0.31 0.00 0.00 0.43 0.00 0.00 52.55 53.35 1nji s ASP 124 Cb 0.08 0.34 -0.04 0.00 -0.30 0.00 0.00 42.92 42.99 1nji s ASP 124 CO 0.61 -0.44 0.00 -0.36 -0.17 0.00 0.00 175.17 174.81 1nji s PHE 125 N -1.71 0.91 0.21 -5.34 0.40 -1.26 -0.54 117.98 110.65 1nji s PHE 125 Ca -0.00 -1.08 0.06 0.00 -0.60 0.00 0.00 56.93 55.31 1nji s PHE 125 Cb -0.01 -0.53 -0.04 0.00 0.51 0.00 0.00 43.02 42.95 1nji s PHE 125 CO -0.01 -0.33 0.16 -1.54 0.70 0.00 0.00 175.22 174.20 1nji s SER 126 N -3.06 5.46 0.16 1.36 1.04 -1.11 -4.95 113.70 112.61 1nji s SER 126 Ca 0.19 -0.22 -0.25 0.00 0.48 0.00 0.00 55.95 56.15 1nji s SER 126 Cb 0.07 -1.39 0.03 0.00 0.10 0.00 0.00 66.02 64.83 1nji s SER 126 CO -0.01 0.01 1.58 -0.33 0.98 0.00 0.00 173.24 175.47 1nji h GLU 127 N 1.94 -0.27 -0.92 4.02 5.08 -2.00 -0.25 114.58 122.19 1nji h GLU 127 Ca -0.48 0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.09 1nji h GLU 127 Cb 1.22 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.46 1nji h GLU 127 CO 0.62 -0.18 0.59 0.78 -1.00 0.00 0.00 179.01 179.82 1nji h GLY 128 N -0.28 1.10 0.83 -3.84 0.00 -1.95 -0.33 103.07 98.60 1nji h GLY 128 Ca 0.16 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 1nji h GLY 128 CO -0.59 0.01 -0.03 0.00 0.00 0.00 0.00 176.54 175.93 1nji h ALA 129 N 1.61 0.31 0.21 3.60 0.00 -1.33 -2.30 119.26 121.36 1nji h ALA 129 Ca 0.48 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1nji h ALA 129 Cb 1.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1nji h ALA 129 CO -0.22 0.08 -0.10 0.00 0.00 0.00 0.00 179.25 179.01 1nji h ARG 130 N 0.18 -0.27 -0.53 0.00 3.08 -0.51 -1.21 114.38 115.12 1nji h ARG 130 Ca 0.06 0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.23 1nji h ARG 130 Cb 0.47 0.06 -0.09 0.00 0.08 0.00 0.00 29.97 30.49 1nji h ARG 130 CO 0.02 0.01 0.01 0.93 -1.07 0.00 0.00 179.97 179.87 1nji h GLU 131 N -0.54 0.13 0.04 0.04 5.08 -1.15 0.20 114.58 118.37 1nji h GLU 131 Ca -0.03 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1nji h GLU 131 Cb 0.40 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1nji h GLU 131 CO 0.05 0.08 -0.02 0.87 -1.00 0.00 0.00 179.01 178.99 1nji h LYS 132 N 0.13 -0.05 0.00 2.33 1.57 -1.38 0.29 116.57 119.45 1nji h LYS 132 Ca 0.27 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 1nji h LYS 132 Cb 0.41 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 1nji h LYS 132 CO -0.44 0.13 -0.07 0.28 -0.57 0.00 0.00 179.45 178.79 1nji h VAL 133 N -0.23 1.01 0.15 0.50 2.07 -0.65 -2.22 116.25 116.88 1nji h VAL 133 Ca -0.01 -0.24 -0.27 0.00 0.82 0.00 0.00 66.70 67.00 1nji h VAL 133 Cb 0.21 1.13 0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1nji h VAL 133 CO 0.01 0.07 -1.32 -0.33 0.02 0.00 0.00 177.57 176.02 1nji h GLU 134 N 0.00 0.32 -0.17 1.57 5.08 -0.84 0.94 114.58 121.49 1nji h GLU 134 Ca -0.00 -0.55 0.05 0.00 -1.00 0.00 0.00 59.36 57.85 1nji h GLU 134 Cb 0.12 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1nji h GLU 134 CO 0.01 1.26 0.33 0.78 -1.00 0.00 0.00 179.01 180.40 1nji h GLY 135 N 0.06 0.00 -3.87 -3.84 0.00 0.06 0.51 103.07 95.99 1nji h GLY 135 Ca -0.26 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 46.64 1nji h GLY 135 CO 0.13 0.00 0.53 0.00 0.00 0.00 0.00 176.54 177.20 1nji n ALA 136 N -2.12 5.29 -3.17 3.60 0.00 -0.88 -4.86 120.51 118.37 1nji n ALA 136 Ca 0.02 -2.75 -0.15 0.00 0.00 0.00 0.00 53.44 50.56 1nji n ALA 136 Cb 0.44 -1.38 0.06 0.00 0.00 0.00 0.00 19.45 18.57 1nji n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nji n GLY 137 N -0.86 -0.12 3.63 0.00 0.00 0.18 -3.64 105.19 104.37 1nji n GLY 137 Ca 0.54 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 46.23 1nji n GLY 137 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nji s GLY 138 N -3.54 2.82 0.07 -0.02 0.00 0.32 -4.46 107.32 102.52 1nji s GLY 138 Ca 0.24 -0.83 0.02 0.00 0.00 0.00 0.00 44.72 44.14 1nji s GLY 138 CO 0.52 -1.99 -0.06 -1.35 0.00 0.00 0.00 173.10 170.21 1nji s SER 139 N -3.73 0.96 -0.19 1.64 1.04 -0.25 -3.87 113.70 109.30 1nji s SER 139 Ca 0.15 -0.86 0.01 0.00 0.48 0.00 0.00 55.95 55.73 1nji s SER 139 Cb 0.02 0.09 0.04 0.00 0.10 0.00 0.00 66.02 66.27 1nji s SER 139 CO 0.09 -0.40 -0.11 -0.69 0.98 0.00 0.00 173.24 173.11 1nji s VAL 140 N -2.94 1.63 -0.20 5.02 1.01 -1.26 -1.45 120.40 122.20 1nji s VAL 140 Ca 0.04 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 61.00 1nji s VAL 140 Cb 0.01 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1nji s VAL 140 CO -0.04 0.23 0.10 -1.61 0.00 0.00 0.00 175.10 173.78 1nji s GLU 141 N 1.41 4.02 -0.15 2.72 2.02 0.16 -4.97 118.70 123.91 1nji s GLU 141 Ca 0.00 -0.31 -0.21 0.00 0.02 0.00 0.00 54.97 54.47 1nji s GLU 141 Cb -0.16 -3.34 -0.03 0.00 0.10 0.00 0.00 34.13 30.70 1nji s GLU 141 CO -0.09 0.19 0.62 -1.17 0.02 0.00 0.00 175.26 174.84 1nji s LEU 142 N 0.63 4.21 1.30 1.80 2.96 -1.26 -2.37 118.68 125.94 1nji s LEU 142 Ca 0.05 0.92 -0.17 0.00 -0.22 0.00 0.00 54.13 54.71 1nji s LEU 142 Cb -0.13 -2.91 0.33 0.00 0.50 0.00 0.00 46.19 43.99 1nji s LEU 142 CO 0.01 -0.19 0.97 -0.89 -1.32 0.00 0.00 176.35 174.93 1nji s THR 143 N 1.44 1.64 0.27 3.68 2.01 -0.58 -4.78 115.64 119.31 1nji s THR 143 Ca 0.30 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.32 1nji s THR 143 Cb -0.16 -2.03 0.06 0.00 0.01 0.00 0.00 72.50 70.37 1nji s THR 143 CO 0.12 0.00 1.70 0.44 -0.69 0.00 0.00 174.62 176.19 1nji h ASP 144 N -3.07 0.52 -0.21 3.53 3.32 -1.97 -0.69 116.42 117.85 1nji h ASP 144 Ca -0.55 -0.18 -0.11 0.00 0.02 0.00 0.00 57.03 56.20 1nji h ASP 144 Cb 1.34 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 1nji h ASP 144 CO 0.41 0.78 -0.26 0.25 -1.72 0.00 0.00 179.24 178.70 1nji h LEU 145 N 0.45 0.70 -0.74 1.55 6.46 -1.93 -0.82 115.31 120.98 1nji h LEU 145 Ca 0.06 -0.26 0.00 0.00 -0.12 0.00 0.00 57.88 57.56 1nji h LEU 145 Cb 0.70 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.44 1nji h LEU 145 CO 0.05 0.93 0.06 0.61 -0.62 0.00 0.00 178.44 179.48 1nji n GLY 146 N -0.22 -0.65 1.54 3.75 0.00 -0.29 -2.80 105.19 106.51 1nji n GLY 146 Ca -0.00 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1nji n GLY 146 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nji n GLU 147 N -1.88 0.69 -2.63 1.61 1.02 -0.32 -3.95 120.64 115.17 1nji n GLU 147 Ca -0.01 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.88 1nji n GLU 147 Cb 0.08 -1.16 -0.01 0.00 -0.02 0.00 0.00 31.44 30.34 1nji n GLU 147 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1nji n GLU 148 N 1.48 3.13 -3.48 3.49 1.02 -1.12 -4.93 120.64 120.23 1nji n GLU 148 Ca 0.00 -4.47 -0.27 0.00 -0.02 0.00 0.00 57.16 52.40 1nji n GLU 148 Cb 0.34 -2.15 -0.09 0.00 -0.02 0.00 0.00 31.44 29.52 1nji n GLU 148 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1nji n ARG 149 N -0.37 1.73 0.00 3.49 1.74 -1.25 -5.20 116.66 116.79 1nji n ARG 149 Ca 0.34 -4.16 0.00 0.00 -0.77 0.00 0.00 57.85 53.26 1nji n ARG 149 Cb 0.60 -1.98 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 1nji n ARG 149 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05