#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jjz h ALA 14 N 0.00 1.12 -0.79 3.14 0.00 -2.09 -2.71 119.26 117.93 2jjz h ALA 14 Ca 0.00 -0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.02 2jjz h ALA 14 Cb 0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 17.41 2jjz h ALA 14 CO 0.00 0.46 0.53 0.35 0.00 0.00 0.00 179.25 180.59 2jjz h PHE 15 N 1.14 0.52 -0.24 0.00 3.57 -2.09 -2.87 116.94 116.97 2jjz h PHE 15 Ca 0.33 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.85 2jjz h PHE 15 Cb -0.07 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.51 2jjz h PHE 15 CO -0.01 0.19 0.00 0.41 -2.23 0.00 0.00 178.31 176.66 2jjz n GLY 16 N -1.52 4.12 0.18 2.40 0.00 -1.05 -4.80 105.19 104.52 2jjz n GLY 16 Ca 0.15 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 2jjz n GLY 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jjz h LEU 17 N 1.63 -0.31 -1.12 0.99 5.85 -1.26 -1.29 115.31 119.80 2jjz h LEU 17 Ca 0.00 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.46 2jjz h LEU 17 Cb 1.40 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.49 2jjz h LEU 17 CO 0.20 0.09 0.07 -0.07 -0.34 0.00 0.00 178.44 178.40 2jjz h LEU 18 N -0.79 0.64 -0.43 2.25 3.38 -1.87 -1.72 115.31 116.78 2jjz h LEU 18 Ca -0.04 -0.12 -0.17 0.00 0.09 0.00 0.00 57.88 57.65 2jjz h LEU 18 Cb 0.51 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2jjz h LEU 18 CO 0.06 0.67 -0.51 0.50 0.09 0.00 0.00 178.44 179.25 2jjz h LYS 19 N 0.66 0.74 -0.02 1.13 3.64 -1.91 -1.97 116.57 118.85 2jjz h LYS 19 Ca 0.14 -0.45 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 2jjz h LYS 19 Cb 0.31 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2jjz h LYS 19 CO 0.00 1.07 -0.01 0.00 -2.27 0.00 0.00 179.45 178.25 2jjz h ALA 20 N 0.84 0.01 -0.68 5.00 0.00 -0.93 -1.48 119.26 122.03 2jjz h ALA 20 Ca 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2jjz h ALA 20 Cb 1.08 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 2jjz h ALA 20 CO 0.11 -0.50 0.37 0.00 0.00 0.00 0.00 179.25 179.23 2jjz h ARG 21 N -0.00 0.94 -0.26 0.00 3.08 -1.30 -1.76 114.38 115.08 2jjz h ARG 21 Ca 0.01 -0.10 -0.15 0.00 0.07 0.00 0.00 59.98 59.80 2jjz h ARG 21 Cb 0.02 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 29.88 2jjz h ARG 21 CO -0.02 0.70 -0.44 0.37 -1.07 0.00 0.00 179.97 179.50 2jjz h GLN 22 N 0.95 0.76 -0.84 0.04 4.15 -1.20 -2.27 115.11 116.70 2jjz h GLN 22 Ca 0.24 -0.47 0.02 0.00 0.77 0.00 0.00 58.65 59.22 2jjz h GLN 22 Cb 0.03 0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.72 2jjz h GLN 22 CO -0.04 1.09 0.55 1.49 -1.93 0.00 0.00 178.83 179.99 2jjz h GLU 23 N 0.50 1.06 -0.70 1.69 4.22 -1.07 -1.88 114.58 118.40 2jjz h GLU 23 Ca 0.02 -0.06 -0.06 0.00 0.08 0.00 0.00 59.36 59.34 2jjz h GLU 23 Cb 1.04 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 2jjz h GLU 23 CO 0.10 0.70 0.20 0.00 -2.18 0.00 0.00 179.01 177.83 2jjz h ARG 24 N 1.09 1.10 -0.77 1.92 2.47 -1.28 -0.10 114.38 118.80 2jjz h ARG 24 Ca 0.32 -0.24 0.04 0.00 -1.26 0.00 0.00 59.98 58.84 2jjz h ARG 24 Cb -0.05 -0.16 -0.05 0.00 -1.65 0.00 0.00 29.97 28.06 2jjz h ARG 24 CO -0.10 0.95 0.48 0.00 0.56 0.00 0.00 179.97 181.87 2jjz h ARG 25 N 1.05 0.89 -0.11 0.04 3.08 -0.97 -0.18 114.38 118.18 2jjz h ARG 25 Ca 0.23 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 60.06 2jjz h ARG 25 Cb 0.33 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2jjz h ARG 25 CO -0.00 0.59 -0.61 -0.07 -1.07 0.00 0.00 179.97 178.81 2jjz h LEU 26 N 0.92 0.44 -0.96 3.04 3.38 -1.14 -2.87 115.31 118.12 2jjz h LEU 26 Ca 0.32 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 2jjz h LEU 26 Cb 0.07 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2jjz h LEU 26 CO -0.13 0.95 -0.08 0.00 0.09 0.00 0.00 178.44 179.27 2jjz h ALA 27 N 1.06 1.13 -0.75 1.53 0.00 -0.68 -0.78 119.26 120.76 2jjz h ALA 27 Ca -0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 2jjz h ALA 27 Cb 1.14 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 2jjz h ALA 27 CO 0.10 0.55 0.35 0.93 0.00 0.00 0.00 179.25 181.18 2jjz h GLU 28 N 0.62 1.09 -0.29 0.00 4.39 -0.94 -0.54 114.58 118.91 2jjz h GLU 28 Ca 0.11 -0.16 -0.09 0.00 0.34 0.00 0.00 59.36 59.57 2jjz h GLU 28 Cb 0.50 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2jjz h GLU 28 CO 0.03 0.85 -0.16 0.82 -1.16 0.00 0.00 179.01 179.39 2jjz h ILE 29 N 1.08 1.30 -0.75 3.13 2.04 -1.27 -2.87 117.51 120.17 2jjz h ILE 29 Ca 0.26 -1.26 0.12 0.00 1.00 0.00 0.00 64.86 64.98 2jjz h ILE 29 Cb 0.13 1.49 -0.08 0.00 -0.74 0.00 0.00 36.82 37.62 2jjz h ILE 29 CO -0.03 0.40 0.35 0.78 0.00 0.00 0.00 178.15 179.65 2jjz h ASN 30 N 0.37 0.40 -0.68 1.72 2.35 -0.82 -1.48 115.58 117.44 2jjz h ASN 30 Ca 0.06 0.08 0.05 0.00 -0.55 0.00 0.00 56.30 55.95 2jjz h ASN 30 Cb 0.68 0.03 -0.05 0.00 0.05 0.00 0.00 38.32 39.03 2jjz h ASN 30 CO 0.05 0.19 0.39 -0.09 -1.65 0.00 0.00 177.43 176.32 2jjz h ARG 31 N 0.54 0.70 -0.32 0.81 2.43 -1.01 -0.36 114.38 117.17 2jjz h ARG 31 Ca 0.39 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.57 2jjz h ARG 31 Cb 0.52 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 2jjz h ARG 31 CO -0.34 0.46 0.07 0.93 -1.51 0.00 0.00 179.97 179.58 2jjz h GLU 32 N 0.72 0.18 -0.40 0.20 5.08 -1.22 -2.98 114.58 116.16 2jjz h GLU 32 Ca 0.30 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.67 2jjz h GLU 32 Cb 0.16 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2jjz h GLU 32 CO -0.17 0.12 0.26 0.74 -1.00 0.00 0.00 179.01 178.96 2jjz h PHE 33 N 0.18 0.45 0.00 4.33 0.04 -0.53 -2.10 116.94 119.31 2jjz h PHE 33 Ca 0.15 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.88 2jjz h PHE 33 Cb 0.16 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 2jjz h PHE 33 CO -0.17 0.27 -0.22 -0.07 -0.60 0.00 0.00 178.31 177.51 2jjz h LEU 34 N 0.47 0.00 -2.41 1.54 3.38 -0.95 -2.95 115.31 114.39 2jjz h LEU 34 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2jjz h LEU 34 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2jjz h LEU 34 CO -0.04 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.72 2jjz s ASP 36 N -1.23 6.94 0.46 0.00 -1.08 -0.84 -4.93 116.67 115.98 2jjz s ASP 36 Ca 0.34 1.09 0.22 0.00 -0.52 0.00 0.00 52.55 53.68 2jjz s ASP 36 Cb 0.19 -2.51 1.21 0.00 -1.46 0.00 0.00 42.92 40.35 2jjz s ASP 36 CO 0.26 -0.75 1.87 1.56 0.52 0.00 0.00 175.17 178.63 2jjz h GLN 37 N 7.87 0.27 -0.25 4.34 7.50 -1.91 -1.44 115.11 131.48 2jjz h GLN 37 Ca -0.21 -0.02 0.07 0.00 0.50 0.00 0.00 58.65 59.00 2jjz h GLN 37 Cb 1.07 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 28.53 2jjz h GLN 37 CO 0.98 0.18 0.21 0.87 -1.50 0.00 0.00 178.83 179.57 2jjz h LYS 38 N 0.28 0.00 -0.28 1.46 1.57 -1.94 -2.52 116.57 115.13 2jjz h LYS 38 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 2jjz h LYS 38 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 2jjz h LYS 38 CO -0.13 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.41 2jjz n TYR 39 N -4.21 0.37 0.17 -1.35 4.01 -0.55 -4.70 117.16 110.91 2jjz n TYR 39 Ca 0.03 -0.38 0.06 0.00 -0.16 0.00 0.00 57.90 57.45 2jjz n TYR 39 Cb 0.35 -0.02 0.29 0.00 -0.31 0.00 0.00 39.34 39.65 2jjz n TYR 39 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2jjz n SER 40 N 0.57 0.25 -0.26 7.72 3.41 -0.95 -0.61 113.62 123.75 2jjz n SER 40 Ca 0.11 0.60 0.05 0.00 -0.26 0.00 0.00 58.87 59.37 2jjz n SER 40 Cb 0.40 -0.64 0.01 0.00 -0.26 0.00 0.00 64.21 63.72 2jjz n SER 40 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2jjz n ASP 41 N -1.82 1.34 -4.71 4.04 9.92 -1.26 -4.98 116.55 119.08 2jjz n ASP 41 Ca 0.00 -1.17 -0.42 0.00 -0.53 0.00 0.00 54.79 52.67 2jjz n ASP 41 Cb 0.06 0.34 -0.03 0.00 -0.64 0.00 0.00 41.12 40.85 2jjz n ASP 41 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2jjz s GLU 42 N -1.16 4.21 0.33 -1.24 2.56 0.22 -4.99 118.70 118.62 2jjz s GLU 42 Ca 0.09 2.34 -0.26 0.00 0.00 0.00 0.00 54.97 57.14 2jjz s GLU 42 Cb 0.08 -3.29 -0.10 0.00 2.00 0.00 0.00 34.13 32.82 2jjz s GLU 42 CO 0.20 -0.64 0.95 -2.00 -0.56 0.00 0.00 175.26 173.22 2jjz s GLU 43 N 1.58 4.57 -1.39 4.30 2.56 -1.26 -4.22 118.70 124.83 2jjz s GLU 43 Ca 0.71 1.34 -0.05 0.00 0.00 0.00 0.00 54.97 56.97 2jjz s GLU 43 Cb -0.42 -2.79 0.03 0.00 2.00 0.00 0.00 34.13 32.95 2jjz s GLU 43 CO 0.31 0.26 0.41 0.09 -0.56 0.00 0.00 175.26 175.78 2jjz n ASN 44 N 0.54 -4.82 -0.04 -1.70 5.03 -1.26 -4.90 115.26 108.11 2jjz n ASN 44 Ca 0.02 -0.22 -0.10 0.00 0.87 0.00 0.00 54.58 55.15 2jjz n ASN 44 Cb 0.50 -3.96 -0.04 0.00 -1.02 0.00 0.00 39.78 35.26 2jjz n ASN 44 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 2jjz h LEU 45 N -0.89 0.21 -0.79 3.41 5.85 -1.97 -0.97 115.31 120.16 2jjz h LEU 45 Ca -0.45 -0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.32 2jjz h LEU 45 Cb 1.31 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.22 2jjz h LEU 45 CO 0.52 0.18 0.46 -0.65 -0.34 0.00 0.00 178.44 178.61 2jjz h PRO 46 N 0.23 0.79 -0.33 5.25 0.11 -1.94 0.12 132.00 136.23 2jjz h PRO 46 Ca 0.07 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.13 2jjz h PRO 46 Cb -0.00 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 30.91 2jjz h PRO 46 CO -0.01 0.52 0.20 0.93 -0.21 0.00 0.00 178.00 179.43 2jjz h GLU 47 N 0.81 0.45 -0.33 1.05 3.07 -1.85 -1.83 114.58 115.95 2jjz h GLU 47 Ca 0.36 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 59.15 2jjz h GLU 47 Cb 0.26 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 2jjz h GLU 47 CO -0.21 0.34 0.07 0.87 -1.40 0.00 0.00 179.01 178.68 2jjz h LYS 48 N 0.42 0.54 -0.68 2.33 1.57 -0.61 -2.36 116.57 117.78 2jjz h LYS 48 Ca 0.12 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2jjz h LYS 48 Cb 0.01 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 2jjz h LYS 48 CO -0.02 0.61 0.41 -0.07 -0.57 0.00 0.00 179.45 179.82 2jjz h LEU 49 N 0.38 0.81 -0.51 2.94 3.38 -0.96 0.64 115.31 121.99 2jjz h LEU 49 Ca 0.10 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.07 2jjz h LEU 49 Cb 0.33 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 2jjz h LEU 49 CO 0.00 0.63 0.22 0.74 0.09 0.00 0.00 178.44 180.13 2jjz h THR 50 N 0.92 0.89 -0.57 0.22 2.02 -1.30 -0.08 112.91 115.03 2jjz h THR 50 Ca 0.24 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 2jjz h THR 50 Cb -0.04 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 66.77 2jjz h THR 50 CO -0.05 0.08 0.33 0.00 0.37 0.00 0.00 175.52 176.25 2jjz h ALA 51 N 1.31 0.72 -0.59 6.16 0.00 -1.02 -1.17 119.26 124.67 2jjz h ALA 51 Ca 0.24 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 2jjz h ALA 51 Cb 0.20 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2jjz h ALA 51 CO -0.20 0.22 0.14 0.74 0.00 0.00 0.00 179.25 180.14 2jjz h PHE 52 N 0.76 0.99 -0.39 0.00 0.04 -0.57 -0.94 116.94 116.84 2jjz h PHE 52 Ca 0.20 -0.12 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 2jjz h PHE 52 Cb 0.00 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 37.86 2jjz h PHE 52 CO -0.02 0.85 0.19 -0.22 -0.60 0.00 0.00 178.31 178.51 2jjz h LYS 53 N 0.85 0.55 -0.31 1.51 3.64 -0.83 -0.18 116.57 121.81 2jjz h LYS 53 Ca 0.18 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2jjz h LYS 53 Cb 0.36 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 2jjz h LYS 53 CO 0.00 0.48 0.13 0.93 -2.27 0.00 0.00 179.45 178.72 2jjz h GLU 54 N 0.49 0.45 -0.70 1.90 5.08 -1.05 -2.66 114.58 118.09 2jjz h GLU 54 Ca 0.13 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2jjz h GLU 54 Cb 0.10 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 2jjz h GLU 54 CO -0.02 0.45 0.45 -0.22 -1.00 0.00 0.00 179.01 178.68 2jjz h LYS 55 N 0.35 0.87 -0.86 2.33 1.63 -1.05 -2.89 116.57 116.95 2jjz h LYS 55 Ca 0.10 -0.05 0.03 0.00 -0.85 0.00 0.00 60.65 59.88 2jjz h LYS 55 Cb 0.16 -0.20 -0.05 0.00 -0.60 0.00 0.00 32.23 31.55 2jjz h LYS 55 CO -0.01 0.58 0.57 -0.92 -3.45 0.00 0.00 179.45 176.21 2jjz h TYR 56 N 0.90 1.04 0.00 1.91 3.20 -0.92 -1.39 116.97 121.72 2jjz h TYR 56 Ca 0.27 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.17 2jjz h TYR 56 Cb -0.03 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 37.89 2jjz h TYR 56 CO -0.03 0.61 0.00 -1.33 -1.64 0.00 0.00 178.16 175.77 2jjz n MET 57 N -4.44 0.17 0.23 1.82 2.81 -1.01 -2.31 117.12 114.39 2jjz n MET 57 Ca 0.11 0.05 0.13 0.00 -1.81 0.00 0.00 57.70 56.18 2jjz n MET 57 Cb 0.09 -1.50 0.31 0.00 -0.71 0.00 0.00 33.22 31.42 2jjz n MET 57 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2jjz h GLU 58 N 0.00 0.00 -7.23 0.03 5.08 -1.08 -3.46 114.58 107.92 2jjz h GLU 58 Ca 0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 2jjz h GLU 58 Cb 0.35 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.68 2jjz h GLU 58 CO 0.00 0.00 0.37 -0.06 -1.00 0.00 0.00 179.01 178.32 2jjz s PHE 59 N -3.32 3.00 -0.77 4.33 0.40 -0.98 -4.97 117.98 115.67 2jjz s PHE 59 Ca 0.06 1.49 -0.24 0.00 -0.60 0.00 0.00 56.93 57.64 2jjz s PHE 59 Cb 0.06 -2.98 0.05 0.00 0.51 0.00 0.00 43.02 40.66 2jjz s PHE 59 CO 0.63 -1.16 1.20 0.34 0.70 0.00 0.00 175.22 176.93 2jjz s ASP 60 N -3.01 6.25 0.44 1.36 2.15 -1.26 -5.02 116.67 117.58 2jjz s ASP 60 Ca 0.62 -0.90 -0.14 0.00 0.43 0.00 0.00 52.55 52.56 2jjz s ASP 60 Cb -0.16 -2.51 -0.08 0.00 -0.30 0.00 0.00 42.92 39.88 2jjz s ASP 60 CO 0.41 -1.61 0.87 -0.76 -0.17 0.00 0.00 175.17 173.92 2jjz s LEU 61 N 4.86 3.78 0.00 -1.34 1.43 -1.26 -3.77 118.68 122.39 2jjz s LEU 61 Ca 0.32 1.37 -0.03 0.00 -1.03 0.00 0.00 54.13 54.77 2jjz s LEU 61 Cb -0.09 -4.27 0.04 0.00 0.03 0.00 0.00 46.19 41.90 2jjz s LEU 61 CO 0.08 -0.45 0.24 -0.46 0.23 0.00 0.00 176.35 175.99 2jjz n ASN 62 N -1.25 0.02 -0.24 2.29 6.94 -0.06 -4.79 115.26 118.17 2jjz n ASN 62 Ca 0.05 -1.09 0.24 0.00 -0.02 0.00 0.00 54.58 53.75 2jjz n ASN 62 Cb 0.54 -0.18 0.59 0.00 -2.36 0.00 0.00 39.78 38.37 2jjz n ASN 62 CO 0.00 0.00 0.00 0.78 -1.03 0.00 0.00 177.26 177.01 2jjz h ASN 63 N -0.31 0.26 -0.64 0.53 2.35 -1.98 -1.35 115.58 114.44 2jjz h ASN 63 Ca -0.08 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2jjz h ASN 63 Cb 0.21 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.57 2jjz h ASN 63 CO 0.06 0.09 0.00 -0.62 -1.65 0.00 0.00 177.43 175.30 2jjz n GLU 64 N -4.44 3.31 -2.59 0.81 -0.58 -1.26 -4.95 120.64 110.94 2jjz n GLU 64 Ca 0.20 -2.75 -0.06 0.00 -0.42 0.00 0.00 57.16 54.14 2jjz n GLU 64 Cb 0.84 -1.73 0.01 0.00 -0.57 0.00 0.00 31.44 29.99 2jjz n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jjz n GLY 65 N 1.20 0.47 3.32 0.62 0.00 -0.51 -5.05 105.19 105.24 2jjz n GLY 65 Ca 0.24 -0.51 -0.17 0.00 0.00 0.00 0.00 46.02 45.58 2jjz n GLY 65 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jjz s GLU 66 N -5.03 1.31 -0.31 1.61 2.02 -1.26 -4.79 118.70 112.24 2jjz s GLU 66 Ca 0.11 -1.65 -0.23 0.00 0.02 0.00 0.00 54.97 53.21 2jjz s GLU 66 Cb -0.05 -0.65 -0.00 0.00 0.10 0.00 0.00 34.13 33.54 2jjz s GLU 66 CO 0.13 -0.07 0.75 0.42 0.02 0.00 0.00 175.26 176.52 2jjz s ILE 67 N -3.39 4.81 0.01 -1.63 1.01 -0.82 -0.89 121.20 120.31 2jjz s ILE 67 Ca 0.27 1.07 0.00 0.00 0.00 0.00 0.00 60.65 61.99 2jjz s ILE 67 Cb 0.05 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.40 2jjz s ILE 67 CO 0.08 -0.25 0.00 -0.90 0.00 0.00 0.00 174.94 173.87 2jjz n ASP 68 N 6.17 1.45 -0.12 3.58 5.75 -1.26 -0.80 116.55 131.31 2jjz n ASP 68 Ca 0.03 -1.02 -0.06 0.00 -0.01 0.00 0.00 54.79 53.73 2jjz n ASP 68 Cb 0.48 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.60 2jjz n ASP 68 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 2jjz h LEU 69 N 0.00 0.19 -1.01 -2.12 5.85 -1.94 -1.88 115.31 114.40 2jjz h LEU 69 Ca -0.00 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.82 2jjz h LEU 69 Cb 0.01 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 40.99 2jjz h LEU 69 CO 0.01 0.15 0.65 -0.03 -0.34 0.00 0.00 178.44 178.87 2jjz h MET 70 N 0.33 1.13 -0.71 1.25 4.05 -1.96 0.17 114.93 119.21 2jjz h MET 70 Ca 0.18 -0.07 0.03 0.00 -0.28 0.00 0.00 59.70 59.57 2jjz h MET 70 Cb 0.15 -0.26 -0.05 0.00 -0.80 0.00 0.00 31.60 30.64 2jjz h MET 70 CO -0.17 0.75 0.44 0.77 0.23 0.00 0.00 176.91 178.93 2jjz h SER 71 N 1.17 0.71 -0.07 1.39 0.02 -1.46 -1.92 113.55 113.39 2jjz h SER 71 Ca 0.44 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.34 2jjz h SER 71 Cb 0.18 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2jjz h SER 71 CO -0.18 0.49 -0.13 -0.07 -1.14 0.00 0.00 176.83 175.80 2jjz h LEU 72 N 0.85 0.24 -0.45 5.07 3.38 -0.52 -2.25 115.31 121.63 2jjz h LEU 72 Ca 0.29 -0.55 0.07 0.00 0.09 0.00 0.00 57.88 57.78 2jjz h LEU 72 Cb 0.05 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 40.63 2jjz h LEU 72 CO -0.12 0.75 -0.43 0.50 0.09 0.00 0.00 178.44 179.23 2jjz h LYS 73 N -0.25 -0.29 -0.96 1.13 3.64 -0.62 0.88 116.57 120.09 2jjz h LYS 73 Ca 0.00 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.47 2jjz h LYS 73 Cb 0.71 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.53 2jjz h LYS 73 CO 0.03 -0.19 0.62 0.00 -2.27 0.00 0.00 179.45 177.64 2jjz h ARG 74 N -0.30 1.09 -0.05 1.90 3.08 -1.33 -1.12 114.38 117.64 2jjz h ARG 74 Ca 0.15 -0.07 -0.19 0.00 0.07 0.00 0.00 59.98 59.94 2jjz h ARG 74 Cb 0.58 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 2jjz h ARG 74 CO -0.60 0.72 -0.79 1.98 -1.07 0.00 0.00 179.97 180.20 2jjz h MET 75 N 1.12 0.38 -0.41 0.04 4.05 -0.71 -1.51 114.93 117.89 2jjz h MET 75 Ca 0.41 -0.34 -0.15 0.00 -0.28 0.00 0.00 59.70 59.34 2jjz h MET 75 Cb 0.17 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.04 2jjz h MET 75 CO -0.16 1.00 -0.33 0.52 0.23 0.00 0.00 176.91 178.18 2jjz h MET 76 N 0.25 0.93 -0.42 0.39 2.86 -0.48 -0.46 114.93 118.00 2jjz h MET 76 Ca -0.04 -0.46 -0.03 0.00 -2.06 0.00 0.00 59.70 57.11 2jjz h MET 76 Cb 1.39 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.03 2jjz h MET 76 CO 0.13 1.11 0.13 0.93 1.06 0.00 0.00 176.91 180.28 2jjz h GLU 77 N 0.78 0.65 -0.69 1.72 5.08 -1.16 -0.99 114.58 119.96 2jjz h GLU 77 Ca 0.08 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 2jjz h GLU 77 Cb 0.91 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 2jjz h GLU 77 CO 0.08 0.64 0.22 -0.22 -1.00 0.00 0.00 179.01 178.73 2jjz h LYS 78 N 0.53 1.08 -0.52 2.33 3.64 -1.17 -3.08 116.57 119.38 2jjz h LYS 78 Ca 0.13 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2jjz h LYS 78 Cb 0.26 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2jjz h LYS 78 CO -0.00 0.93 0.00 1.28 -2.27 0.00 0.00 179.45 179.39 2jjz n LEU 79 N -4.31 2.77 0.00 5.20 4.77 -0.19 -4.93 117.00 120.31 2jjz n LEU 79 Ca 0.05 -1.39 0.00 0.00 -0.03 0.00 0.00 56.01 54.64 2jjz n LEU 79 Cb 0.22 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 2jjz n LEU 79 CO 0.41 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 2jjz n GLY 80 N 1.10 0.27 3.51 -0.72 0.00 -0.78 -4.91 105.19 103.67 2jjz n GLY 80 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 2jjz n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jjz s VAL 81 N -1.59 4.90 0.06 1.61 1.01 -0.45 -5.01 120.40 120.92 2jjz s VAL 81 Ca 0.00 0.03 -0.31 0.00 0.00 0.00 0.00 61.98 61.70 2jjz s VAL 81 Cb 0.00 -4.15 -0.06 0.00 0.00 0.00 0.00 36.38 32.16 2jjz s VAL 81 CO 0.00 -0.53 1.36 -2.16 0.00 0.00 0.00 175.10 173.77 2jjz s PRO 82 N 2.64 4.33 0.04 2.72 0.04 -1.26 -4.48 135.00 139.02 2jjz s PRO 82 Ca 0.20 1.97 0.01 0.00 0.04 0.00 0.00 61.00 63.22 2jjz s PRO 82 Cb -0.15 -3.40 -0.02 0.00 0.04 0.00 0.00 34.50 30.96 2jjz s PRO 82 CO 0.17 -0.46 -0.06 0.15 0.04 0.00 0.00 177.00 176.84 2jjz s LYS 83 N 1.64 0.49 0.54 4.56 -0.14 -1.26 -5.14 119.74 120.42 2jjz s LYS 83 Ca 0.63 -0.77 0.03 0.00 -1.36 0.00 0.00 55.97 54.50 2jjz s LYS 83 Cb -0.33 -0.16 0.04 0.00 -1.68 0.00 0.00 37.83 35.70 2jjz s LYS 83 CO 0.28 0.01 0.75 0.95 -0.76 0.00 0.00 175.35 176.59 2jjz s THR 84 N -1.63 2.68 0.26 2.17 -4.23 -1.26 -4.93 115.64 108.70 2jjz s THR 84 Ca -0.10 -0.73 -0.01 0.00 -1.18 0.00 0.00 61.69 59.67 2jjz s THR 84 Cb -0.08 -2.95 0.25 0.00 1.34 0.00 0.00 72.50 71.06 2jjz s THR 84 CO -0.01 0.00 1.81 -0.74 -0.54 0.00 0.00 174.62 175.15 2jjz h HIS 85 N 0.14 0.98 -0.26 3.99 2.76 -2.02 -1.61 115.15 119.13 2jjz h HIS 85 Ca -0.41 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 57.70 2jjz h HIS 85 Cb 1.29 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 29.94 2jjz h HIS 85 CO 0.34 0.37 -0.19 1.25 -1.30 0.00 0.00 177.93 178.41 2jjz h LEU 86 N 0.86 0.62 -0.51 0.26 5.85 -1.99 -2.10 115.31 118.31 2jjz h LEU 86 Ca 0.45 -0.44 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2jjz h LEU 86 Cb 0.46 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 2jjz h LEU 86 CO -0.27 0.93 0.25 -0.33 -0.34 0.00 0.00 178.44 178.68 2jjz h GLU 87 N 0.31 0.73 -0.49 1.25 5.08 -1.88 -1.81 114.58 117.77 2jjz h GLU 87 Ca 0.05 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 2jjz h GLU 87 Cb 0.73 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2jjz h GLU 87 CO 0.05 0.61 -0.01 0.52 -1.00 0.00 0.00 179.01 179.17 2jjz h MET 88 N 0.68 0.88 -0.60 2.33 2.86 -1.31 0.11 114.93 119.88 2jjz h MET 88 Ca 0.18 -0.29 0.10 0.00 -2.06 0.00 0.00 59.70 57.63 2jjz h MET 88 Cb 0.11 -0.08 -0.08 0.00 0.06 0.00 0.00 31.60 31.62 2jjz h MET 88 CO -0.02 0.92 0.18 -0.22 1.06 0.00 0.00 176.91 178.83 2jjz h LYS 89 N 0.74 0.33 -0.00 1.72 3.64 -1.34 -1.82 116.57 119.84 2jjz h LYS 89 Ca 0.14 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.40 2jjz h LYS 89 Cb 0.53 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 2jjz h LYS 89 CO 0.03 0.22 -0.47 0.87 -2.27 0.00 0.00 179.45 177.83 2jjz h LYS 90 N 0.34 0.01 -0.97 1.90 1.57 -0.75 -2.69 116.57 115.98 2jjz h LYS 90 Ca 0.31 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.15 2jjz h LYS 90 Cb 0.42 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.66 2jjz h LYS 90 CO -0.34 0.48 0.63 0.52 -0.57 0.00 0.00 179.45 180.16 2jjz h MET 91 N 0.01 1.08 -0.03 3.15 2.86 0.05 -0.11 114.93 121.94 2jjz h MET 91 Ca -0.00 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 2jjz h MET 91 Cb 0.83 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 32.25 2jjz h MET 91 CO 0.06 0.71 -0.04 0.82 1.06 0.00 0.00 176.91 179.52 2jjz h ILE 92 N 1.11 1.41 0.00 -1.22 2.04 -1.33 -3.22 117.51 116.30 2jjz h ILE 92 Ca 0.42 -1.28 -0.05 0.00 1.00 0.00 0.00 64.86 64.95 2jjz h ILE 92 Cb 0.20 2.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 2jjz h ILE 92 CO -0.17 0.34 -0.24 0.77 0.00 0.00 0.00 178.15 178.86 2jjz h SER 93 N -0.41 0.00 0.70 1.72 4.64 -1.15 -1.31 113.55 117.74 2jjz h SER 93 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.26 2jjz h SER 93 Cb 0.58 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 2jjz h SER 93 CO 0.01 0.24 -0.32 1.05 -0.87 0.00 0.00 176.83 176.94 2jjz h GLU 94 N 0.00 0.00 0.16 4.77 4.11 -1.10 -1.51 114.58 121.00 2jjz h GLU 94 Ca -0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.10 2jjz h GLU 94 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2jjz h GLU 94 CO 0.03 0.32 -1.60 0.28 0.07 0.00 0.00 179.01 178.12 2jjz h VAL 95 N 0.00 1.10 0.00 -1.06 2.07 -1.28 -3.35 116.25 113.73 2jjz h VAL 95 Ca -0.00 -2.69 -0.14 0.00 0.82 0.00 0.00 66.70 64.69 2jjz h VAL 95 Cb 0.76 2.80 -0.02 0.00 -1.52 0.00 0.00 31.29 33.31 2jjz h VAL 95 CO 0.04 0.83 -1.17 0.71 0.02 0.00 0.00 177.57 178.00 2jjz h THR 96 N 0.09 0.51 0.00 2.57 1.35 -1.43 -3.48 112.91 112.52 2jjz h THR 96 Ca -0.28 -1.92 0.00 0.00 -0.55 0.00 0.00 66.41 63.67 2jjz h THR 96 Cb 2.06 2.05 0.00 0.00 -1.73 0.00 0.00 68.15 70.53 2jjz h THR 96 CO 0.18 0.29 0.00 0.61 -0.25 0.00 0.00 175.52 176.35 2jjz n GLY 97 N 1.33 0.56 3.26 5.82 0.00 -0.62 -3.28 105.19 112.27 2jjz n GLY 97 Ca -0.06 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.38 2jjz n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jjz n GLY 98 N -2.76 0.29 0.27 -0.02 0.00 -0.91 -4.87 105.19 97.19 2jjz n GLY 98 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2jjz n GLY 98 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2jjz h VAL 99 N 0.00 1.21 -4.08 1.61 2.07 -1.88 -3.45 116.25 111.72 2jjz h VAL 99 Ca 0.00 -0.85 -0.16 0.00 0.82 0.00 0.00 66.70 66.51 2jjz h VAL 99 Cb 0.24 1.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.85 2jjz h VAL 99 CO 0.00 0.29 -0.69 -0.55 0.02 0.00 0.00 177.57 176.63 2jjz s SER 100 N -6.75 0.60 0.00 0.57 0.15 -1.26 -5.03 113.70 101.98 2jjz s SER 100 Ca -0.07 -0.87 0.27 0.00 0.70 0.00 0.00 55.95 55.98 2jjz s SER 100 Cb 0.15 0.15 0.91 0.00 -1.71 0.00 0.00 66.02 65.52 2jjz s SER 100 CO 0.77 -0.48 1.68 0.47 1.20 0.00 0.00 173.24 176.88 2jjz n ASP 101 N 0.48 0.40 -4.19 5.45 8.00 -1.26 -4.77 116.55 120.65 2jjz n ASP 101 Ca -0.16 -0.18 -0.12 0.00 0.71 0.00 0.00 54.79 55.04 2jjz n ASP 101 Cb 0.59 -0.05 -0.10 0.00 -0.02 0.00 0.00 41.12 41.55 2jjz n ASP 101 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2jjz s THR 102 N -2.83 0.84 -0.46 -3.53 -4.23 -1.26 -4.75 115.64 99.43 2jjz s THR 102 Ca 0.17 -1.95 -0.19 0.00 -1.18 0.00 0.00 61.69 58.54 2jjz s THR 102 Cb 0.19 -1.71 0.04 0.00 1.34 0.00 0.00 72.50 72.36 2jjz s THR 102 CO 0.58 -0.82 0.55 -0.63 -0.54 0.00 0.00 174.62 173.76 2jjz s ILE 103 N -3.47 4.96 1.00 2.99 1.01 0.02 -4.89 121.20 122.81 2jjz s ILE 103 Ca 0.13 -0.34 -0.12 0.00 0.00 0.00 0.00 60.65 60.32 2jjz s ILE 103 Cb 0.04 -4.18 0.19 0.00 0.01 0.00 0.00 42.46 38.52 2jjz s ILE 103 CO -0.03 -0.62 1.08 -0.94 0.00 0.00 0.00 174.94 174.44 2jjz s SER 104 N 2.23 2.55 0.25 3.58 1.04 -1.26 -1.95 113.70 120.14 2jjz s SER 104 Ca 0.15 1.34 -0.03 0.00 0.48 0.00 0.00 55.95 57.89 2jjz s SER 104 Cb -0.18 -2.02 0.31 0.00 0.10 0.00 0.00 66.02 64.24 2jjz s SER 104 CO 0.14 -3.20 1.78 0.22 0.98 0.00 0.00 173.24 173.16 2jjz h TYR 105 N -1.94 0.93 -0.11 5.02 3.20 -1.97 -1.15 116.97 120.95 2jjz h TYR 105 Ca -0.54 -0.11 0.03 0.00 3.14 0.00 0.00 58.73 61.25 2jjz h TYR 105 Cb 1.32 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 39.29 2jjz h TYR 105 CO 0.32 0.80 -0.08 0.00 -1.64 0.00 0.00 178.16 177.56 2jjz h ARG 106 N 0.85 -0.08 -0.50 1.82 3.08 -1.99 -1.04 114.38 116.53 2jjz h ARG 106 Ca 0.18 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 2jjz h ARG 106 Cb 0.36 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 2jjz h ARG 106 CO 0.01 -0.05 0.24 -0.44 -1.07 0.00 0.00 179.97 178.65 2jjz h ASP 107 N -0.08 0.62 -0.29 7.04 3.32 -1.85 -0.91 116.42 124.27 2jjz h ASP 107 Ca 0.07 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 2jjz h ASP 107 Cb 0.19 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 2jjz h ASP 107 CO -0.16 0.54 0.08 0.15 -1.72 0.00 0.00 179.24 178.12 2jjz h PHE 108 N 0.70 0.49 0.32 4.55 3.57 -0.81 -1.00 116.94 124.75 2jjz h PHE 108 Ca 0.18 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 2jjz h PHE 108 Cb 0.08 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.68 2jjz h PHE 108 CO 0.01 0.52 -0.15 0.28 -2.23 0.00 0.00 178.31 176.73 2jjz h VAL 109 N 0.31 0.71 -0.75 1.41 2.07 -0.92 -1.30 116.25 117.78 2jjz h VAL 109 Ca 0.09 -0.29 0.16 0.00 0.82 0.00 0.00 66.70 67.49 2jjz h VAL 109 Cb 0.27 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 2jjz h VAL 109 CO -0.00 0.06 0.51 0.78 0.02 0.00 0.00 177.57 178.94 2jjz h ASN 110 N -0.58 0.32 0.17 0.57 2.35 -1.21 0.15 115.58 117.34 2jjz h ASN 110 Ca -0.04 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 2jjz h ASN 110 Cb 0.43 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.76 2jjz h ASN 110 CO 0.07 0.16 -0.08 -0.03 -1.65 0.00 0.00 177.43 175.90 2jjz h MET 111 N 0.33 -0.22 -0.37 0.81 4.05 -1.05 -0.87 114.93 117.61 2jjz h MET 111 Ca 0.37 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.79 2jjz h MET 111 Cb 0.96 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.79 2jjz h MET 111 CO -0.10 0.07 0.16 0.52 0.23 0.00 0.00 176.91 177.79 2jjz h MET 112 N -0.51 0.52 -0.01 0.39 2.86 0.13 -2.77 114.93 115.55 2jjz h MET 112 Ca -0.02 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2jjz h MET 112 Cb 0.39 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.95 2jjz h MET 112 CO 0.04 0.42 -0.63 1.28 1.06 0.00 0.00 176.91 179.08 2jjz n LEU 113 N -4.40 1.34 -4.90 1.22 4.77 0.34 -5.00 117.00 110.36 2jjz n LEU 113 Ca 0.02 -0.50 -0.29 0.00 -0.03 0.00 0.00 56.01 55.21 2jjz n LEU 113 Cb 0.13 -0.05 0.07 0.00 -2.33 0.00 0.00 43.42 41.24 2jjz n LEU 113 CO 0.37 0.28 0.74 -0.83 -1.33 0.00 0.00 177.39 176.61 2jjz s GLY 114 N -2.73 1.62 0.09 -0.72 0.00 -0.33 -5.02 107.32 100.23 2jjz s GLY 114 Ca 0.15 -0.58 0.23 0.00 0.00 0.00 0.00 44.72 44.52 2jjz s GLY 114 CO 0.68 -0.16 1.00 0.28 0.00 0.00 0.00 173.10 174.90 2jjz n LYS 115 N -3.10 0.42 -1.07 2.90 4.76 -1.26 -4.89 118.16 115.92 2jjz n LYS 115 Ca 0.07 0.02 -0.34 0.00 -2.87 0.00 0.00 58.31 55.19 2jjz n LYS 115 Cb 0.59 -1.66 0.11 0.00 -1.84 0.00 0.00 35.03 32.23 2jjz n LYS 115 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2jjz n ARG 116 N -2.21 0.10 -4.60 1.97 1.74 -1.26 -5.04 116.66 107.35 2jjz n ARG 116 Ca 0.01 0.09 -0.34 0.00 -0.77 0.00 0.00 57.85 56.85 2jjz n ARG 116 Cb 0.48 -2.13 -0.11 0.00 -1.02 0.00 0.00 32.46 29.69 2jjz n ARG 116 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2jjz s SER 117 N -1.92 4.65 0.10 0.55 1.04 -1.26 -5.05 113.70 111.81 2jjz s SER 117 Ca 0.67 -0.04 0.10 0.00 0.48 0.00 0.00 55.95 57.16 2jjz s SER 117 Cb -0.29 -1.16 -0.04 0.00 0.10 0.00 0.00 66.02 64.64 2jjz s SER 117 CO 0.57 0.35 -0.25 0.00 0.98 0.00 0.00 173.24 174.89 2jjz s ALA 118 N -0.84 2.41 0.24 5.32 0.00 -1.26 -5.02 121.76 122.60 2jjz s ALA 118 Ca 0.13 -1.37 -0.07 0.00 0.00 0.00 0.00 51.96 50.65 2jjz s ALA 118 Cb -0.11 -0.48 0.42 0.00 0.00 0.00 0.00 23.12 22.95 2jjz s ALA 118 CO 0.02 0.55 1.66 0.28 0.00 0.00 0.00 175.76 178.28 2jjz h VAL 119 N 3.94 0.46 -0.81 0.00 2.07 -1.97 -1.80 116.25 118.14 2jjz h VAL 119 Ca -0.49 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 2jjz h VAL 119 Cb 1.16 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 2jjz h VAL 119 CO 0.42 0.03 0.37 0.25 0.02 0.00 0.00 177.57 178.66 2jjz h LEU 120 N 0.18 1.07 -1.32 2.57 5.85 -1.96 -2.41 115.31 119.30 2jjz h LEU 120 Ca 0.39 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 2jjz h LEU 120 Cb 0.68 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 2jjz h LEU 120 CO -0.56 0.92 0.27 0.50 -0.34 0.00 0.00 178.44 179.23 2jjz h LYS 121 N 1.16 0.74 -0.44 1.25 3.64 -1.76 -0.99 116.57 120.17 2jjz h LYS 121 Ca 0.28 -0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.47 2jjz h LYS 121 Cb 0.15 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2jjz h LYS 121 CO -0.03 0.56 -0.12 -0.07 -2.27 0.00 0.00 179.45 177.52 2jjz h LEU 122 N 0.74 0.87 -0.77 5.20 3.38 -0.89 -2.38 115.31 121.47 2jjz h LEU 122 Ca 0.19 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 2jjz h LEU 122 Cb 0.05 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2jjz h LEU 122 CO -0.03 1.04 0.18 0.58 0.09 0.00 0.00 178.44 180.30 2jjz h VAL 123 N 0.70 1.26 0.00 1.22 2.07 -1.33 -2.89 116.25 117.28 2jjz h VAL 123 Ca 0.11 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.68 2jjz h VAL 123 Cb 0.66 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2jjz h VAL 123 CO 0.05 0.37 0.00 0.24 0.02 0.00 0.00 177.57 178.24 2jjz h MET 124 N 1.06 0.00 -0.02 1.57 2.86 -0.90 -1.88 114.93 117.62 2jjz h MET 124 Ca 0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 2jjz h MET 124 Cb 0.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 2jjz h MET 124 CO -0.00 0.00 -0.34 -1.33 1.06 0.00 0.00 176.91 176.29 2jjz n MET 125 N -2.38 1.47 0.00 1.72 2.00 -0.92 -4.89 117.12 114.12 2jjz n MET 125 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 57.70 56.50 2jjz n MET 125 Cb 0.15 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 31.90 2jjz n MET 125 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2jjz n PHE 126 N 0.29 0.00 1.06 2.03 -0.00 -0.72 -5.10 117.46 115.02 2jjz n PHE 126 Ca 0.11 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.68 2jjz n PHE 126 Cb 0.49 0.00 0.15 0.00 -0.00 0.00 0.00 39.48 40.12 2jjz n PHE 126 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15