#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nji h VAL 2 N 0.00 0.73 -0.07 -1.45 -1.51 -2.00 -3.13 116.25 108.82 1nji h VAL 2 Ca 0.00 -2.06 0.00 0.00 -1.23 0.00 0.00 66.70 63.41 1nji h VAL 2 Cb 0.00 2.34 0.00 0.00 -2.13 0.00 0.00 31.29 31.50 1nji h VAL 2 CO 0.00 0.42 0.00 0.00 -1.23 0.00 0.00 177.57 176.76 1nji n TYR 3 N -3.18 0.06 -3.60 5.19 0.18 -1.26 -4.85 117.16 109.70 1nji n TYR 3 Ca 0.01 -0.03 -0.39 0.00 1.88 0.00 0.00 57.90 59.37 1nji n TYR 3 Cb 0.72 -0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.57 1nji n TYR 3 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1nji s VAL 4 N -1.86 5.03 -1.19 -3.48 1.01 -1.18 -4.86 120.40 113.86 1nji s VAL 4 Ca 0.28 -0.17 0.10 0.00 0.00 0.00 0.00 61.98 62.19 1nji s VAL 4 Cb 0.20 -3.51 0.08 0.00 0.00 0.00 0.00 36.38 33.14 1nji s VAL 4 CO 0.29 0.10 0.82 0.47 0.00 0.00 0.00 175.10 176.78 1nji n ASP 5 N 5.05 1.84 -3.69 3.32 8.00 -1.26 -4.71 116.55 125.09 1nji n ASP 5 Ca -0.14 -1.42 -0.14 0.00 0.71 0.00 0.00 54.79 53.80 1nji n ASP 5 Cb 0.50 -0.01 -0.08 0.00 -0.02 0.00 0.00 41.12 41.51 1nji n ASP 5 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1nji s PHE 6 N -0.81 -0.37 -0.21 1.24 -0.12 -1.26 -5.13 117.98 111.32 1nji s PHE 6 Ca 0.12 0.68 -0.10 0.00 -0.05 0.00 0.00 56.93 57.57 1nji s PHE 6 Cb 0.08 0.19 -0.05 0.00 -0.63 0.00 0.00 43.02 42.61 1nji s PHE 6 CO 0.12 -0.41 0.14 0.34 -0.05 0.00 0.00 175.22 175.35 1nji s ASP 7 N -0.97 6.19 -0.29 1.98 2.15 -1.26 -4.98 116.67 119.49 1nji s ASP 7 Ca -0.10 0.21 -0.18 0.00 0.43 0.00 0.00 52.55 52.91 1nji s ASP 7 Cb -0.04 -2.09 -0.02 0.00 -0.30 0.00 0.00 42.92 40.47 1nji s ASP 7 CO 0.05 0.16 0.49 -0.69 -0.17 0.00 0.00 175.17 175.01 1nji s VAL 8 N 0.48 5.06 0.31 1.11 1.01 -1.26 -5.04 120.40 122.07 1nji s VAL 8 Ca 0.08 0.65 -0.30 0.00 0.00 0.00 0.00 61.98 62.41 1nji s VAL 8 Cb -0.11 -3.86 -0.12 0.00 0.00 0.00 0.00 36.38 32.29 1nji s VAL 8 CO -0.01 -0.01 1.47 -2.65 0.00 0.00 0.00 175.10 173.91 1nji n PRO 9 N 5.59 2.43 -0.32 2.72 -0.02 -1.26 -4.77 135.00 139.37 1nji n PRO 9 Ca -0.05 0.86 0.08 0.00 -2.02 0.00 0.00 63.50 62.38 1nji n PRO 9 Cb 0.50 -2.57 0.18 0.00 -0.02 0.00 0.00 33.50 31.59 1nji n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nji n ALA 10 N 1.41 0.31 -0.18 3.55 0.00 -1.26 0.02 120.51 124.36 1nji n ALA 10 Ca 0.07 0.99 -0.02 0.00 0.00 0.00 0.00 53.44 54.48 1nji n ALA 10 Cb 0.36 -0.64 0.20 0.00 0.00 0.00 0.00 19.45 19.37 1nji n ALA 10 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1nji h ASP 11 N 0.00 0.83 -0.44 0.00 3.32 -2.00 -2.32 116.42 115.81 1nji h ASP 11 Ca 0.48 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.37 1nji h ASP 11 Cb 0.83 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 1nji h ASP 11 CO -0.90 0.72 0.01 0.25 -1.72 0.00 0.00 179.24 177.60 1nji h LEU 12 N 0.92 0.75 -1.03 1.55 6.46 -0.75 -2.61 115.31 120.60 1nji h LEU 12 Ca 0.22 -0.30 0.06 0.00 -0.12 0.00 0.00 57.88 57.74 1nji h LEU 12 Cb 0.12 -0.20 -0.07 0.00 -0.73 0.00 0.00 40.66 39.78 1nji h LEU 12 CO -0.03 0.87 0.64 -0.08 -0.62 0.00 0.00 178.44 179.23 1nji h GLU 13 N 0.61 1.14 -0.17 1.25 4.81 -1.02 -1.31 114.58 119.90 1nji h GLU 13 Ca 0.13 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1nji h GLU 13 Cb 0.48 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1nji h GLU 13 CO 0.02 0.75 0.06 -0.44 -0.73 0.00 0.00 179.01 178.68 1nji h ASP 14 N 1.17 0.24 -0.87 1.04 3.32 -1.15 0.20 116.42 120.37 1nji h ASP 14 Ca 0.42 -0.18 0.05 0.00 0.02 0.00 0.00 57.03 57.35 1nji h ASP 14 Cb 0.15 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.58 1nji h ASP 14 CO -0.16 0.35 0.55 0.44 -1.72 0.00 0.00 179.24 178.69 1nji h ASP 15 N 0.11 0.88 0.59 6.45 3.32 -1.09 0.13 116.42 126.81 1nji h ASP 15 Ca 0.06 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 1nji h ASP 15 Cb 0.19 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.57 1nji h ASP 15 CO -0.00 0.58 -0.29 0.00 -1.72 0.00 0.00 179.24 177.81 1nji h ALA 16 N 1.39 -0.80 -0.36 3.45 0.00 -0.84 -0.26 119.26 121.84 1nji h ALA 16 Ca 0.37 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1nji h ALA 16 Cb 0.12 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1nji h ALA 16 CO -0.16 -0.93 0.17 -0.07 0.00 0.00 0.00 179.25 178.26 1nji h LEU 17 N -0.83 0.24 -0.36 0.00 3.38 -0.66 -0.64 115.31 116.45 1nji h LEU 17 Ca -0.08 0.02 0.08 0.00 0.09 0.00 0.00 57.88 57.99 1nji h LEU 17 Cb 0.62 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.27 1nji h LEU 17 CO 0.13 0.18 -0.23 -0.33 0.09 0.00 0.00 178.44 178.29 1nji h GLU 18 N 0.36 -0.17 -0.94 1.13 5.08 -0.63 0.12 114.58 119.53 1nji h GLU 18 Ca 0.16 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.63 1nji h GLU 18 Cb 0.08 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.30 1nji h GLU 18 CO -0.12 -0.11 0.60 0.00 -1.00 0.00 0.00 179.01 178.38 1nji h ALA 19 N 1.00 1.57 -0.67 3.43 0.00 -0.43 -2.14 119.26 122.02 1nji h ALA 19 Ca 0.18 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1nji h ALA 19 Cb 0.45 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1nji h ALA 19 CO -0.47 0.24 0.31 1.25 0.00 0.00 0.00 179.25 180.58 1nji h LEU 20 N 0.96 0.88 -0.61 0.00 5.85 0.74 -1.22 115.31 121.91 1nji h LEU 20 Ca 0.44 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 59.00 1nji h LEU 20 Cb 0.39 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1nji h LEU 20 CO -0.20 0.77 0.29 -0.33 -0.34 0.00 0.00 178.44 178.63 1nji h GLU 21 N 0.92 0.89 0.00 1.25 5.08 -0.59 -1.03 114.58 121.09 1nji h GLU 21 Ca 0.23 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1nji h GLU 21 Cb 0.13 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1nji h GLU 21 CO -0.03 0.72 0.00 1.33 -1.00 0.00 0.00 179.01 180.03 1nji n VAL 22 N -4.50 0.67 0.12 3.13 0.24 -1.03 -2.67 118.33 114.28 1nji n VAL 22 Ca 0.04 0.02 -0.21 0.00 -2.04 0.00 0.00 64.34 62.15 1nji n VAL 22 Cb 0.13 -0.86 -0.14 0.00 -1.47 0.00 0.00 33.84 31.50 1nji n VAL 22 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nji h ALA 23 N 2.47 -0.02 -0.03 2.33 0.00 0.00 -0.42 119.26 123.59 1nji h ALA 23 Ca 0.00 -0.84 -0.11 0.00 0.00 0.00 0.00 54.91 53.96 1nji h ALA 23 Cb 0.50 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1nji h ALA 23 CO 0.00 0.78 -0.50 0.07 0.00 0.00 0.00 179.25 179.60 1nji h ARG 24 N 0.16 0.07 0.14 0.00 0.11 -1.06 0.99 114.38 114.79 1nji h ARG 24 Ca -0.20 -0.04 -0.32 0.00 0.10 0.00 0.00 59.98 59.53 1nji h ARG 24 Cb 2.02 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 33.10 1nji h ARG 24 CO 0.24 0.55 -1.63 -0.44 0.10 0.00 0.00 179.97 178.80 1nji h ASP 25 N 0.05 0.47 0.11 0.08 3.32 -1.57 -3.41 116.42 115.47 1nji h ASP 25 Ca -0.00 -0.89 -0.37 0.00 0.02 0.00 0.00 57.03 55.79 1nji h ASP 25 Cb 0.90 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.26 1nji h ASP 25 CO 0.07 1.72 -2.11 0.41 -1.72 0.00 0.00 179.24 177.61 1nji n THR 26 N -3.75 1.69 -0.18 0.35 -1.04 -0.17 -5.01 114.28 106.17 1nji n THR 26 Ca -0.26 -0.65 0.00 0.00 -2.04 0.00 0.00 64.05 61.10 1nji n THR 26 Cb 0.98 -1.58 0.00 0.00 -1.82 0.00 0.00 70.33 67.91 1nji n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1nji n GLY 27 N 2.03 4.78 3.12 3.41 0.00 0.32 -4.67 105.19 114.17 1nji n GLY 27 Ca -0.34 -1.64 -0.21 0.00 0.00 0.00 0.00 46.02 43.83 1nji n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nji s ALA 28 N -2.13 1.13 0.02 4.61 0.00 -0.21 -4.54 121.76 120.64 1nji s ALA 28 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1nji s ALA 28 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 1nji s ALA 28 CO 0.00 0.24 -0.03 0.14 0.00 0.00 0.00 175.76 176.11 1nji s VAL 29 N -0.58 0.16 -0.19 0.00 -7.23 -1.26 0.55 120.40 111.84 1nji s VAL 29 Ca 0.03 -0.65 -0.05 0.00 -1.81 0.00 0.00 61.98 59.51 1nji s VAL 29 Cb -0.06 -0.25 -0.02 0.00 0.56 0.00 0.00 36.38 36.60 1nji s VAL 29 CO 0.00 -0.31 -0.02 -0.54 -0.31 0.00 0.00 175.10 173.93 1nji s LYS 30 N -1.00 3.58 -0.14 4.82 -0.14 0.26 -4.85 119.74 122.27 1nji s LYS 30 Ca -0.10 -0.54 -0.05 0.00 -1.36 0.00 0.00 55.97 53.92 1nji s LYS 30 Cb -0.07 -3.03 -0.04 0.00 -1.68 0.00 0.00 37.83 33.01 1nji s LYS 30 CO -0.00 0.02 0.03 0.15 -0.76 0.00 0.00 175.35 174.78 1nji s LYS 31 N 0.97 3.56 0.00 1.68 1.02 -1.26 -0.35 119.74 125.35 1nji s LYS 31 Ca 0.01 -0.38 0.00 0.00 0.02 0.00 0.00 55.97 55.62 1nji s LYS 31 Cb -0.14 -3.02 0.00 0.00 -0.52 0.00 0.00 37.83 34.15 1nji s LYS 31 CO 0.01 0.44 0.00 0.41 -0.92 0.00 0.00 175.35 175.30 1nji n GLY 32 N 2.97 2.51 0.37 -3.33 0.00 -0.73 -4.64 105.19 102.33 1nji n GLY 32 Ca -0.18 -1.47 0.06 0.00 0.00 0.00 0.00 46.02 44.44 1nji n GLY 32 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1nji h THR 33 N 0.00 0.96 -0.22 2.61 2.02 -1.94 -0.01 112.91 116.33 1nji h THR 33 Ca 0.00 -0.35 -0.04 0.00 0.77 0.00 0.00 66.41 66.79 1nji h THR 33 Cb 0.00 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.25 1nji h THR 33 CO 0.00 0.19 -0.01 -1.13 0.37 0.00 0.00 175.52 174.93 1nji h ASN 34 N 1.01 0.39 0.36 4.18 -1.24 -1.93 -0.14 115.58 118.22 1nji h ASN 34 Ca 0.48 -0.33 -0.09 0.00 0.71 0.00 0.00 56.30 57.07 1nji h ASN 34 Cb 0.43 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.36 1nji h ASN 34 CO -0.24 0.62 -0.39 -0.33 -1.29 0.00 0.00 177.43 175.80 1nji h GLU 35 N 0.15 0.05 -0.05 6.67 5.08 -1.74 -2.68 114.58 122.05 1nji h GLU 35 Ca 0.06 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1nji h GLU 35 Cb 0.43 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1nji h GLU 35 CO 0.01 0.44 -0.03 1.15 -1.00 0.00 0.00 179.01 179.58 1nji h THR 36 N 0.04 1.34 -0.81 1.13 2.02 -0.81 -3.00 112.91 112.82 1nji h THR 36 Ca 0.00 -1.09 0.13 0.00 0.77 0.00 0.00 66.41 66.23 1nji h THR 36 Cb 0.72 1.96 -0.09 0.00 -1.74 0.00 0.00 68.15 69.00 1nji h THR 36 CO 0.05 0.30 0.41 0.74 0.37 0.00 0.00 175.52 177.39 1nji h THR 37 N -0.29 0.75 0.00 3.16 2.02 -0.78 0.22 112.91 117.99 1nji h THR 37 Ca 0.01 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 66.94 1nji h THR 37 Cb 0.49 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1nji h THR 37 CO 0.01 0.11 -0.20 0.11 0.37 0.00 0.00 175.52 175.92 1nji h LYS 38 N 0.61 0.00 0.60 6.66 1.57 -1.48 -2.03 116.57 122.50 1nji h LYS 38 Ca 0.43 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.19 1nji h LYS 38 Cb 0.58 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.90 1nji h LYS 38 CO -0.34 0.20 -0.29 0.77 -0.57 0.00 0.00 179.45 179.22 1nji h SER 39 N 0.00 -0.69 -0.95 0.86 0.02 -0.81 0.25 113.55 112.24 1nji h SER 39 Ca -0.00 -0.03 0.20 0.00 -0.84 0.00 0.00 61.79 61.12 1nji h SER 39 Cb 0.56 0.18 -0.08 0.00 0.14 0.00 0.00 62.40 63.20 1nji h SER 39 CO 0.03 -0.36 0.61 0.40 -1.14 0.00 0.00 176.83 176.36 1nji h ILE 40 N -1.02 0.69 0.01 3.27 2.04 -1.30 0.79 117.51 122.00 1nji h ILE 40 Ca -0.08 -0.19 -0.26 0.00 1.00 0.00 0.00 64.86 65.33 1nji h ILE 40 Cb 0.67 0.10 0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1nji h ILE 40 CO 0.14 0.10 -1.04 -0.33 0.00 0.00 0.00 178.15 177.02 1nji h GLU 41 N 0.55 0.61 -0.00 2.37 5.08 -1.16 -3.13 114.58 118.89 1nji h GLU 41 Ca 0.51 -0.67 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1nji h GLU 41 Cb 1.07 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1nji h GLU 41 CO -0.25 1.27 -0.11 0.54 -1.00 0.00 0.00 179.01 179.46 1nji n ARG 42 N -3.81 0.66 -0.43 2.33 1.74 0.84 -4.91 116.66 113.08 1nji n ARG 42 Ca -0.10 -0.21 0.00 0.00 -0.77 0.00 0.00 57.85 56.77 1nji n ARG 42 Cb 0.88 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.83 1nji n ARG 42 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nji n GLY 43 N 1.28 1.58 0.00 -0.13 0.00 0.26 -4.86 105.19 103.32 1nji n GLY 43 Ca 0.14 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.25 1nji n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nji n SER 44 N 0.00 0.00 -4.76 1.61 3.41 -0.98 -4.76 113.62 108.14 1nji n SER 44 Ca 0.00 -0.43 -0.39 0.00 -0.26 0.00 0.00 58.87 57.79 1nji n SER 44 Cb 0.00 -0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 63.84 1nji n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nji s ALA 45 N -2.12 3.46 -0.15 7.33 0.00 -1.24 -4.21 121.76 124.83 1nji s ALA 45 Ca 0.24 0.09 0.03 0.00 0.00 0.00 0.00 51.96 52.33 1nji s ALA 45 Cb 0.12 -2.80 -0.12 0.00 0.00 0.00 0.00 23.12 20.32 1nji s ALA 45 CO 0.22 0.14 -0.10 0.39 0.00 0.00 0.00 175.76 176.41 1nji n GLU 46 N 2.74 0.74 -3.68 0.00 1.02 -1.07 -4.83 120.64 115.56 1nji n GLU 46 Ca -0.06 0.07 -0.11 0.00 -0.02 0.00 0.00 57.16 57.05 1nji n GLU 46 Cb 0.51 -1.32 -0.11 0.00 -0.02 0.00 0.00 31.44 30.49 1nji n GLU 46 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1nji s LEU 47 N -5.73 -0.27 -0.10 -4.62 2.96 -1.22 -3.93 118.68 105.77 1nji s LEU 47 Ca -0.18 0.83 0.00 0.00 -0.22 0.00 0.00 54.13 54.55 1nji s LEU 47 Cb 0.05 1.15 -0.02 0.00 0.50 0.00 0.00 46.19 47.87 1nji s LEU 47 CO 0.41 -0.21 -0.10 0.68 -1.32 0.00 0.00 176.35 175.80 1nji s VAL 48 N 2.01 3.35 -0.15 1.68 -7.23 -0.43 -0.28 120.40 119.35 1nji s VAL 48 Ca -0.05 -0.58 -0.07 0.00 -1.81 0.00 0.00 61.98 59.48 1nji s VAL 48 Cb -0.11 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 1nji s VAL 48 CO -0.11 0.55 0.09 -0.36 -0.31 0.00 0.00 175.10 174.95 1nji s PHE 49 N -0.12 3.37 -0.08 2.82 0.40 0.19 -0.92 117.98 123.64 1nji s PHE 49 Ca -0.00 0.28 0.00 0.00 -0.60 0.00 0.00 56.93 56.62 1nji s PHE 49 Cb -0.13 -2.00 0.02 0.00 0.51 0.00 0.00 43.02 41.42 1nji s PHE 49 CO 0.03 0.42 -0.07 0.08 0.70 0.00 0.00 175.22 176.38 1nji s VAL 50 N -0.31 0.86 0.83 -0.44 1.01 -0.50 -0.65 120.40 121.21 1nji s VAL 50 Ca 0.10 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 61.73 1nji s VAL 50 Cb -0.12 -0.87 0.09 0.00 0.00 0.00 0.00 36.38 35.48 1nji s VAL 50 CO 0.01 0.32 1.09 0.00 0.00 0.00 0.00 175.10 176.53 1nji s ALA 51 N 1.35 1.91 -0.39 5.51 0.00 -0.15 -1.19 121.76 128.80 1nji s ALA 51 Ca -0.03 0.07 0.07 0.00 0.00 0.00 0.00 51.96 52.08 1nji s ALA 51 Cb -0.14 -3.22 -0.07 0.00 0.00 0.00 0.00 23.12 19.70 1nji s ALA 51 CO -0.03 -2.04 0.34 0.39 0.00 0.00 0.00 175.76 174.41 1nji n GLU 52 N -3.69 4.26 -1.29 0.00 1.02 -0.19 -4.55 120.64 116.20 1nji n GLU 52 Ca 0.08 -0.08 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 1nji n GLU 52 Cb 0.54 -0.87 0.13 0.00 -0.02 0.00 0.00 31.44 31.22 1nji n GLU 52 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1nji n ASP 53 N -1.04 5.52 -4.74 1.62 5.75 -1.21 -4.46 116.55 117.99 1nji n ASP 53 Ca 0.02 -3.72 -0.39 0.00 -0.01 0.00 0.00 54.79 50.69 1nji n ASP 53 Cb 0.12 -0.85 -0.05 0.00 -1.03 0.00 0.00 41.12 39.30 1nji n ASP 53 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1nji s VAL 54 N -4.08 4.99 -0.13 2.12 1.01 -1.26 -4.88 120.40 118.17 1nji s VAL 54 Ca 0.59 1.31 -0.05 0.00 0.00 0.00 0.00 61.98 63.83 1nji s VAL 54 Cb 0.48 -3.97 0.06 0.00 0.00 0.00 0.00 36.38 32.95 1nji s VAL 54 CO 0.04 0.34 0.26 -1.58 0.00 0.00 0.00 175.10 174.15 1nji s GLN 55 N 0.33 0.14 0.73 2.72 -0.44 -1.26 -3.81 119.66 118.06 1nji s GLN 55 Ca 0.33 0.73 -0.14 0.00 -2.50 0.00 0.00 55.36 53.79 1nji s GLN 55 Cb -0.18 -0.05 0.04 0.00 -1.64 0.00 0.00 33.01 31.18 1nji s GLN 55 CO 0.17 -0.28 1.14 -2.14 0.50 0.00 0.00 175.29 174.68 1nji s PRO 56 N 2.37 2.32 0.43 1.67 0.02 -1.26 -5.07 135.00 135.47 1nji s PRO 56 Ca 0.01 1.48 0.28 0.00 0.02 0.00 0.00 61.00 62.79 1nji s PRO 56 Cb -0.12 -1.88 0.91 0.00 0.02 0.00 0.00 34.50 33.43 1nji s PRO 56 CO -0.08 -1.64 1.80 0.93 -0.33 0.00 0.00 177.00 177.67 1nji h GLU 57 N -0.47 0.00 -0.98 5.54 5.08 -2.01 -3.24 114.58 118.51 1nji h GLU 57 Ca -0.46 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.10 1nji h GLU 57 Cb 1.26 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.40 1nji h GLU 57 CO 0.51 0.00 0.57 0.93 -1.00 0.00 0.00 179.01 180.02 1nji h GLU 58 N 0.00 0.67 -0.56 2.33 3.07 -1.98 -1.06 114.58 117.05 1nji h GLU 58 Ca 0.00 -0.04 0.16 0.00 -0.50 0.00 0.00 59.36 58.98 1nji h GLU 58 Cb 0.68 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.41 1nji h GLU 58 CO 0.00 0.44 0.51 0.82 -1.40 0.00 0.00 179.01 179.38 1nji h ILE 59 N 0.69 0.44 0.00 3.13 2.04 -1.97 -3.03 117.51 118.81 1nji h ILE 59 Ca 0.58 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.44 1nji h ILE 59 Cb 0.94 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1nji h ILE 59 CO -0.41 0.00 -0.50 0.52 0.00 0.00 0.00 178.15 177.76 1nji n VAL 60 N -3.90 0.00 -0.22 1.67 0.31 -0.73 -4.80 118.33 110.65 1nji n VAL 60 Ca 0.11 -0.17 0.19 0.00 -0.01 0.00 0.00 64.34 64.46 1nji n VAL 60 Cb 0.73 0.65 0.35 0.00 -0.91 0.00 0.00 33.84 34.66 1nji n VAL 60 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1nji n MET 61 N -1.09 -0.04 0.17 5.55 2.81 -0.48 -0.27 117.12 123.77 1nji n MET 61 Ca 0.00 0.95 0.05 0.00 -1.81 0.00 0.00 57.70 56.89 1nji n MET 61 Cb 0.00 -1.66 0.27 0.00 -0.71 0.00 0.00 33.22 31.12 1nji n MET 61 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 1nji h HIS 62 N 0.00 0.00 -0.42 2.03 2.07 -1.87 -3.37 115.15 113.59 1nji h HIS 62 Ca 0.53 0.00 0.05 0.00 -2.85 0.00 0.00 60.37 58.10 1nji h HIS 62 Cb 1.35 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 31.26 1nji h HIS 62 CO -0.09 0.42 -0.46 0.82 -3.07 0.00 0.00 177.93 175.55 1nji h ILE 63 N 0.00 0.00 0.00 6.12 1.08 -0.99 -1.66 117.51 122.06 1nji h ILE 63 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1nji h ILE 63 Cb 1.01 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.76 1nji h ILE 63 CO 0.05 0.00 0.00 -2.65 -0.69 0.00 0.00 178.15 174.86 1nji n PRO 64 N -4.89 0.00 -0.32 2.37 -0.02 -1.26 -0.38 135.00 130.51 1nji n PRO 64 Ca -0.02 0.59 0.10 0.00 -2.02 0.00 0.00 63.50 62.15 1nji n PRO 64 Cb 0.27 -1.16 0.27 0.00 -0.02 0.00 0.00 33.50 32.85 1nji n PRO 64 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1nji h GLU 65 N 0.00 0.64 -0.13 -0.52 4.81 -1.82 -0.11 114.58 117.45 1nji h GLU 65 Ca 0.00 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1nji h GLU 65 Cb 0.00 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 1nji h GLU 65 CO 0.00 0.42 -0.06 1.25 -0.73 0.00 0.00 179.01 179.89 1nji h LEU 66 N 0.65 -0.20 -0.80 1.64 5.85 -0.94 -0.99 115.31 120.52 1nji h LEU 66 Ca 0.52 0.05 0.05 0.00 0.84 0.00 0.00 57.88 59.34 1nji h LEU 66 Cb 0.79 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.87 1nji h LEU 66 CO -0.39 -0.08 0.50 0.00 -0.34 0.00 0.00 178.44 178.13 1nji h ALA 67 N 1.08 1.08 -0.13 1.25 0.00 0.69 -2.78 119.26 120.45 1nji h ALA 67 Ca 0.07 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1nji h ALA 67 Cb 0.15 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1nji h ALA 67 CO -0.16 0.26 0.02 -0.44 0.00 0.00 0.00 179.25 178.93 1nji h ASP 68 N 0.93 -0.00 0.00 0.00 3.32 -0.03 -1.24 116.42 119.40 1nji h ASP 68 Ca 0.34 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.41 1nji h ASP 68 Cb 0.11 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1nji h ASP 68 CO -0.15 0.02 0.00 -1.84 -1.72 0.00 0.00 179.24 175.55 1nji n GLU 69 N -5.09 0.87 0.00 3.56 0.28 -0.48 -2.32 120.64 117.46 1nji n GLU 69 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.96 1nji n GLU 69 Cb 0.07 -1.06 0.00 0.00 1.43 0.00 0.00 31.44 31.88 1nji n GLU 69 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1nji n LYS 70 N -0.43 1.71 0.00 3.44 4.76 -0.54 -4.99 118.16 122.10 1nji n LYS 70 Ca 0.00 -1.07 0.00 0.00 -2.87 0.00 0.00 58.31 54.37 1nji n LYS 70 Cb 0.03 -0.82 0.00 0.00 -1.84 0.00 0.00 35.03 32.40 1nji n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nji n GLY 71 N -0.29 1.38 3.73 0.72 0.00 -0.74 -4.95 105.19 105.04 1nji n GLY 71 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1nji n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nji s VAL 72 N -0.92 2.21 0.41 1.61 1.01 -0.99 -4.96 120.40 118.76 1nji s VAL 72 Ca 0.00 0.16 -0.19 0.00 0.00 0.00 0.00 61.98 61.95 1nji s VAL 72 Cb 0.00 -3.10 -0.10 0.00 0.00 0.00 0.00 36.38 33.18 1nji s VAL 72 CO 0.00 0.02 0.90 -2.84 0.00 0.00 0.00 175.10 173.18 1nji s PRO 73 N 0.58 4.15 -0.02 2.72 0.02 -1.25 -4.41 135.00 136.79 1nji s PRO 73 Ca 0.69 0.99 -0.05 0.00 0.02 0.00 0.00 61.00 62.65 1nji s PRO 73 Cb -0.47 -2.24 0.00 0.00 0.02 0.00 0.00 34.50 31.81 1nji s PRO 73 CO 0.37 -0.01 0.11 -0.59 -0.33 0.00 0.00 177.00 176.55 1nji s PHE 74 N -2.18 -0.01 0.09 6.54 -0.12 -1.26 -1.31 117.98 119.72 1nji s PHE 74 Ca 0.60 0.04 0.06 0.00 -0.05 0.00 0.00 56.93 57.58 1nji s PHE 74 Cb -0.09 -0.02 -0.03 0.00 -0.63 0.00 0.00 43.02 42.24 1nji s PHE 74 CO 0.16 -0.17 -0.17 -1.50 -0.05 0.00 0.00 175.22 173.49 1nji s ILE 75 N -0.70 1.38 0.04 -4.49 2.07 -0.09 -4.96 121.20 114.45 1nji s ILE 75 Ca -0.08 -1.42 -0.08 0.00 -1.41 0.00 0.00 60.65 57.66 1nji s ILE 75 Cb -0.05 -1.30 -0.05 0.00 0.13 0.00 0.00 42.46 41.20 1nji s ILE 75 CO 0.01 -0.16 0.34 -0.36 -1.91 0.00 0.00 174.94 172.85 1nji s PHE 76 N -1.24 3.59 0.00 3.50 2.99 -1.26 -1.41 117.98 124.14 1nji s PHE 76 Ca 0.02 0.69 0.07 0.00 0.00 0.00 0.00 56.93 57.71 1nji s PHE 76 Cb -0.10 -2.08 -0.02 0.00 0.00 0.00 0.00 43.02 40.82 1nji s PHE 76 CO 0.03 0.57 -0.20 0.08 -0.00 0.00 0.00 175.22 175.70 1nji s VAL 77 N -1.34 1.63 -0.05 -0.44 1.01 -0.33 -4.87 120.40 116.01 1nji s VAL 77 Ca 0.30 -0.97 -0.24 0.00 0.00 0.00 0.00 61.98 61.07 1nji s VAL 77 Cb -0.14 -1.37 -0.19 0.00 0.00 0.00 0.00 36.38 34.69 1nji s VAL 77 CO 0.17 0.38 1.00 -0.33 0.00 0.00 0.00 175.10 176.32 1nji h GLU 78 N 5.39 -0.12 -6.10 2.72 4.39 -1.94 -0.49 114.58 118.43 1nji h GLU 78 Ca -0.40 0.01 -0.57 0.00 0.34 0.00 0.00 59.36 58.74 1nji h GLU 78 Cb 1.15 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.77 1nji h GLU 78 CO 0.47 0.40 0.00 -0.65 -1.16 0.00 0.00 179.01 178.07 1nji s GLN 79 N -3.59 4.33 0.15 2.33 -1.52 -1.26 -3.30 119.66 116.81 1nji s GLN 79 Ca -0.15 0.76 -0.04 0.00 -1.95 0.00 0.00 55.36 53.99 1nji s GLN 79 Cb 0.00 -3.34 -0.04 0.00 -0.22 0.00 0.00 33.01 29.42 1nji s GLN 79 CO 0.57 0.36 1.36 0.37 -0.25 0.00 0.00 175.29 177.71 1nji h GLN 80 N 5.63 0.46 0.00 2.91 4.15 -1.87 -3.13 115.11 123.26 1nji h GLN 80 Ca -0.45 -0.42 -0.05 0.00 0.77 0.00 0.00 58.65 58.49 1nji h GLN 80 Cb 1.20 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.99 1nji h GLN 80 CO 0.70 1.07 -0.26 -0.44 -1.93 0.00 0.00 178.83 177.96 1nji h ASP 81 N 0.29 0.00 -0.20 -0.69 3.32 -1.92 -1.93 116.42 115.30 1nji h ASP 81 Ca -0.06 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.84 1nji h ASP 81 Cb 1.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.99 1nji h ASP 81 CO 0.15 0.26 -0.48 0.44 -1.72 0.00 0.00 179.24 177.88 1nji h ASP 82 N 0.00 0.76 -0.50 6.45 3.32 -1.93 -0.83 116.42 123.69 1nji h ASP 82 Ca -0.00 -0.57 -0.08 0.00 0.02 0.00 0.00 57.03 56.40 1nji h ASP 82 Cb 1.02 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 1nji h ASP 82 CO 0.03 1.19 0.03 0.25 -1.72 0.00 0.00 179.24 179.03 1nji h LEU 83 N 0.36 0.89 -0.37 1.55 5.85 -1.52 0.18 115.31 122.25 1nji h LEU 83 Ca -0.01 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.45 1nji h LEU 83 Cb 1.10 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1nji h LEU 83 CO 0.11 0.93 0.06 1.23 -0.34 0.00 0.00 178.44 180.43 1nji h GLY 84 N 1.00 0.67 0.88 3.75 0.00 -1.38 -0.56 103.07 107.44 1nji h GLY 84 Ca 0.17 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 1nji h GLY 84 CO 0.02 0.42 0.02 0.84 0.00 0.00 0.00 176.54 177.83 1nji h HIS 85 N 0.46 0.56 -1.00 5.60 -0.00 -0.91 0.51 115.15 120.37 1nji h HIS 85 Ca 0.11 -0.09 0.04 0.00 -0.00 0.00 0.00 60.37 60.43 1nji h HIS 85 Cb 0.37 -0.15 -0.06 0.00 -0.00 0.00 0.00 27.41 27.57 1nji h HIS 85 CO 0.02 0.64 0.66 0.00 -0.00 0.00 0.00 177.93 179.25 1nji h ALA 86 N 0.85 1.36 0.00 5.26 0.00 -0.57 0.87 119.26 127.03 1nji h ALA 86 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1nji h ALA 86 Cb 0.41 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1nji h ALA 86 CO 0.01 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.80 1nji n ALA 87 N -2.37 1.84 -0.08 0.00 0.00 -0.22 -3.92 120.51 115.76 1nji n ALA 87 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1nji n ALA 87 Cb 0.11 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1nji n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nji n GLY 88 N 0.40 0.96 3.91 0.00 0.00 0.30 -4.95 105.19 105.80 1nji n GLY 88 Ca 0.04 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1nji n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nji s LEU 89 N 0.00 4.27 0.44 0.99 1.43 0.17 -4.97 118.68 121.01 1nji s LEU 89 Ca 0.00 0.52 0.23 0.00 -1.03 0.00 0.00 54.13 53.85 1nji s LEU 89 Cb 0.00 -3.25 0.33 0.00 0.03 0.00 0.00 46.19 43.30 1nji s LEU 89 CO 0.00 0.05 1.60 -0.08 0.23 0.00 0.00 176.35 178.15 1nji h GLU 90 N 2.70 0.00 0.00 1.70 4.81 -1.94 -3.30 114.58 118.55 1nji h GLU 90 Ca -0.46 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 58.26 1nji h GLU 90 Cb 1.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 1nji h GLU 90 CO 0.72 0.01 -0.18 0.28 -0.73 0.00 0.00 179.01 179.12 1nji n VAL 91 N -3.10 0.00 -2.36 0.32 0.31 -1.26 -4.98 118.33 107.26 1nji n VAL 91 Ca 0.04 -1.98 -0.25 0.00 -0.01 0.00 0.00 64.34 62.14 1nji n VAL 91 Cb 0.53 -0.26 0.11 0.00 -0.91 0.00 0.00 33.84 33.32 1nji n VAL 91 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1nji s GLY 92 N -4.29 1.76 -0.17 2.92 0.00 -1.26 -4.08 107.32 102.20 1nji s GLY 92 Ca 0.42 -1.40 -0.09 0.00 0.00 0.00 0.00 44.72 43.64 1nji s GLY 92 CO 0.27 -0.85 0.41 -0.45 0.00 0.00 0.00 173.10 172.48 1nji s SER 93 N -4.69 -0.52 0.31 1.64 0.15 -0.76 -4.75 113.70 105.08 1nji s SER 93 Ca 0.66 0.90 0.14 0.00 0.70 0.00 0.00 55.95 58.35 1nji s SER 93 Cb -0.07 0.78 0.46 0.00 -1.71 0.00 0.00 66.02 65.48 1nji s SER 93 CO 0.46 -0.19 1.64 0.00 1.20 0.00 0.00 173.24 176.35 1nji h ALA 94 N 7.07 0.95 -2.07 5.45 0.00 -1.95 -3.39 119.26 125.32 1nji h ALA 94 Ca -0.36 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.00 1nji h ALA 94 Cb 1.18 -0.08 -0.20 0.00 0.00 0.00 0.00 17.79 18.69 1nji h ALA 94 CO 0.29 0.66 0.12 0.00 0.00 0.00 0.00 179.25 180.32 1nji s ALA 95 N -3.55 -1.65 0.04 0.00 0.00 -1.26 -0.98 121.76 114.37 1nji s ALA 95 Ca -0.00 1.36 -0.01 0.00 0.00 0.00 0.00 51.96 53.30 1nji s ALA 95 Cb 0.12 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 1nji s ALA 95 CO 0.73 -0.35 -0.02 0.00 0.00 0.00 0.00 175.76 176.13 1nji s ALA 96 N -0.86 0.36 -0.05 0.00 0.00 0.18 -1.78 121.76 119.62 1nji s ALA 96 Ca -0.09 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 50.86 1nji s ALA 96 Cb -0.02 0.24 0.03 0.00 0.00 0.00 0.00 23.12 23.38 1nji s ALA 96 CO 0.07 -0.32 0.02 0.00 0.00 0.00 0.00 175.76 175.54 1nji s ALA 97 N -3.21 0.43 -0.68 0.00 0.00 0.53 0.53 121.76 119.34 1nji s ALA 97 Ca 0.00 0.07 -0.27 0.00 0.00 0.00 0.00 51.96 51.76 1nji s ALA 97 Cb 0.03 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.58 1nji s ALA 97 CO -0.07 -0.37 1.35 0.08 0.00 0.00 0.00 175.76 176.75 1nji s VAL 98 N 1.79 3.72 -0.94 0.00 1.01 0.62 0.91 120.40 127.52 1nji s VAL 98 Ca 0.01 0.48 -0.18 0.00 0.00 0.00 0.00 61.98 62.30 1nji s VAL 98 Cb -0.12 -4.73 0.15 0.00 0.00 0.00 0.00 36.38 31.68 1nji s VAL 98 CO -0.03 -1.60 1.09 0.28 0.00 0.00 0.00 175.10 174.84 1nji s THR 99 N 6.05 4.90 -0.08 3.92 -1.32 0.19 -2.59 115.64 126.72 1nji s THR 99 Ca 0.42 -1.81 -0.03 0.00 -1.21 0.00 0.00 61.69 59.06 1nji s THR 99 Cb -0.09 -4.74 0.01 0.00 -1.51 0.00 0.00 72.50 66.17 1nji s THR 99 CO 0.18 -1.44 0.05 0.47 -2.21 0.00 0.00 174.62 171.68 1nji n ASP 100 N 6.04 -2.43 -3.06 8.08 9.92 -1.25 -3.43 116.55 130.41 1nji n ASP 100 Ca 0.23 0.46 -0.02 0.00 -0.53 0.00 0.00 54.79 54.93 1nji n ASP 100 Cb 0.48 -2.44 0.02 0.00 -0.64 0.00 0.00 41.12 38.54 1nji n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nji n ALA 101 N 0.44 -0.43 -3.43 2.24 0.00 -1.26 -1.04 120.51 117.03 1nji n ALA 101 Ca -0.09 -0.12 0.01 0.00 0.00 0.00 0.00 53.44 53.24 1nji n ALA 101 Cb 0.14 -0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.54 1nji n ALA 101 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1nji s GLY 102 N -1.34 -0.62 -1.29 0.00 0.00 -1.26 -3.93 107.32 98.88 1nji s GLY 102 Ca 0.05 2.46 -0.08 0.00 0.00 0.00 0.00 44.72 47.15 1nji s GLY 102 CO 0.05 3.25 0.47 0.00 0.00 0.00 0.00 173.10 176.86 1nji n ALA 103 N 5.32 -1.04 -1.53 3.20 0.00 -1.26 -4.38 120.51 120.82 1nji n ALA 103 Ca -0.08 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1nji n ALA 103 Cb 0.51 -2.80 0.00 0.00 0.00 0.00 0.00 19.45 17.16 1nji n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nji n ALA 104 N -3.45 0.00 0.28 0.00 0.00 -1.26 -4.90 120.51 111.18 1nji n ALA 104 Ca -0.03 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.54 1nji n ALA 104 Cb 0.55 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.68 1nji n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nji h ALA 105 N 0.00 1.28 -0.62 0.00 0.00 -1.89 0.66 119.26 118.70 1nji h ALA 105 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nji h ALA 105 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1nji h ALA 105 CO 0.00 -0.28 0.00 2.41 0.00 0.00 0.00 179.25 181.38 1nji n THR 106 N -2.63 0.00 -0.31 0.00 -1.04 -1.26 -2.40 114.28 106.64 1nji n THR 106 Ca -0.02 0.40 0.15 0.00 -2.04 0.00 0.00 64.05 62.54 1nji n THR 106 Cb 0.35 -1.22 0.33 0.00 -1.82 0.00 0.00 70.33 67.97 1nji n THR 106 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1nji h VAL 107 N 0.00 0.33 0.37 12.58 2.07 -1.81 -0.82 116.25 128.96 1nji h VAL 107 Ca 0.00 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1nji h VAL 107 Cb 0.00 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 29.82 1nji h VAL 107 CO 0.00 0.05 -0.24 0.25 0.02 0.00 0.00 177.57 177.65 1nji h LEU 108 N 0.25 -0.62 -1.55 2.57 5.85 0.16 -0.79 115.31 121.19 1nji h LEU 108 Ca 0.59 0.04 0.42 0.00 0.84 0.00 0.00 57.88 59.77 1nji h LEU 108 Cb 1.22 0.18 -0.11 0.00 0.37 0.00 0.00 40.66 42.32 1nji h LEU 108 CO -0.63 -0.36 0.91 -0.08 -0.34 0.00 0.00 178.44 177.93 1nji h GLU 109 N -0.57 0.10 0.01 1.25 4.81 -0.83 0.94 114.58 120.28 1nji h GLU 109 Ca -0.05 -0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 58.98 1nji h GLU 109 Cb 0.46 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 1nji h GLU 109 CO 0.04 0.07 -0.93 0.93 -0.73 0.00 0.00 179.01 178.39 1nji h GLU 110 N 0.11 0.02 -0.46 1.92 5.08 -0.92 -2.78 114.58 117.56 1nji h GLU 110 Ca 0.78 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 59.00 1nji h GLU 110 Cb 2.57 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 31.81 1nji h GLU 110 CO -0.30 0.93 -0.14 0.82 -1.00 0.00 0.00 179.01 179.32 1nji h ILE 111 N 0.01 1.26 -0.38 3.13 2.04 0.24 0.15 117.51 123.96 1nji h ILE 111 Ca -0.02 -1.25 -0.04 0.00 1.00 0.00 0.00 64.86 64.56 1nji h ILE 111 Cb 1.63 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 1nji h ILE 111 CO 0.12 0.43 0.08 0.00 0.00 0.00 0.00 178.15 178.78 1nji h ALA 112 N 1.07 1.42 -0.05 1.87 0.00 -1.24 -1.70 119.26 120.63 1nji h ALA 112 Ca 0.12 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1nji h ALA 112 Cb 0.66 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1nji h ALA 112 CO 0.05 0.42 -0.10 -0.44 0.00 0.00 0.00 179.25 179.17 1nji h ASP 113 N 0.55 0.18 -0.88 0.00 3.32 -1.05 -1.48 116.42 117.06 1nji h ASP 113 Ca 0.13 -0.56 0.10 0.00 0.02 0.00 0.00 57.03 56.72 1nji h ASP 113 Cb 0.24 -0.05 -0.08 0.00 0.22 0.00 0.00 39.33 39.66 1nji h ASP 113 CO -0.00 0.71 0.52 0.11 -1.72 0.00 0.00 179.24 178.86 1nji h LYS 114 N -0.34 0.82 -0.08 3.56 1.57 -0.40 -1.19 116.57 120.50 1nji h LYS 114 Ca 0.00 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1nji h LYS 114 Cb 0.68 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1nji h LYS 114 CO 0.02 0.54 -0.08 0.28 -0.57 0.00 0.00 179.45 179.64 1nji h VAL 115 N 0.84 1.37 -0.89 0.50 2.07 -1.31 0.61 116.25 119.44 1nji h VAL 115 Ca 0.43 -1.24 0.17 0.00 0.82 0.00 0.00 66.70 66.88 1nji h VAL 115 Cb 0.41 2.01 -0.07 0.00 -1.52 0.00 0.00 31.29 32.13 1nji h VAL 115 CO -0.26 0.35 0.58 -0.33 0.02 0.00 0.00 177.57 177.93 1nji h GLU 116 N -0.23 0.53 0.00 1.57 4.39 -0.87 0.59 114.58 120.55 1nji h GLU 116 Ca 0.01 -0.03 -0.16 0.00 0.34 0.00 0.00 59.36 59.52 1nji h GLU 116 Cb 0.59 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1nji h GLU 116 CO 0.02 0.35 -0.77 0.93 -1.16 0.00 0.00 179.01 178.38 1nji h GLU 117 N 0.54 0.00 0.00 2.33 5.08 -0.97 -2.39 114.58 119.17 1nji h GLU 117 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 1nji h GLU 117 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1nji h GLU 117 CO -0.20 0.77 0.00 -0.11 -1.00 0.00 0.00 179.01 178.47 1nji n LEU 118 N -3.62 0.00 0.00 1.33 7.94 0.20 -5.09 117.00 117.76 1nji n LEU 118 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 1nji n LEU 118 Cb 0.75 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.70 1nji n LEU 118 CO 0.44 0.00 0.00 -1.14 -1.11 0.00 0.00 177.39 175.58