#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jjz n LEU 17 N 0.00 0.00 0.09 0.99 7.94 -1.26 -2.87 117.00 121.89 2jjz n LEU 17 Ca 0.00 0.44 -0.04 0.00 -1.11 0.00 0.00 56.01 55.29 2jjz n LEU 17 Cb 0.00 -0.44 -0.01 0.00 0.53 0.00 0.00 43.42 43.50 2jjz n LEU 17 CO 0.00 -0.02 0.28 0.25 -1.11 0.00 0.00 177.39 176.79 2jjz h LEU 18 N 0.00 0.00 0.00 -1.96 5.85 -2.05 -2.69 115.31 114.46 2jjz h LEU 18 Ca 0.00 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 2jjz h LEU 18 Cb 0.41 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2jjz h LEU 18 CO 0.00 0.84 -0.84 0.11 -0.34 0.00 0.00 178.44 178.21 2jjz h LYS 19 N 0.00 0.00 0.00 1.25 1.57 -1.95 -1.50 116.57 115.94 2jjz h LYS 19 Ca -0.01 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.61 2jjz h LYS 19 Cb 1.52 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.80 2jjz h LYS 19 CO 0.11 0.29 -0.77 0.00 -0.57 0.00 0.00 179.45 178.51 2jjz h ALA 20 N 1.61 0.73 -0.08 3.86 0.00 -1.58 -1.90 119.26 121.90 2jjz h ALA 20 Ca -0.06 -0.70 -0.12 0.00 0.00 0.00 0.00 54.91 54.04 2jjz h ALA 20 Cb 1.35 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 19.02 2jjz h ALA 20 CO 0.04 0.96 -0.42 0.00 0.00 0.00 0.00 179.25 179.83 2jjz h ARG 21 N 0.00 0.42 0.18 0.00 3.08 -1.40 -2.56 114.38 114.10 2jjz h ARG 21 Ca -0.01 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.70 2jjz h ARG 21 Cb 1.36 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.45 2jjz h ARG 21 CO 0.10 0.99 -0.43 0.37 -1.07 0.00 0.00 179.97 179.93 2jjz h GLN 22 N -0.03 -0.64 -0.82 0.04 4.15 -1.34 -1.17 115.11 115.29 2jjz h GLN 22 Ca -0.03 0.04 0.20 0.00 0.77 0.00 0.00 58.65 59.63 2jjz h GLN 22 Cb 1.07 0.15 -0.12 0.00 0.21 0.00 0.00 27.48 28.79 2jjz h GLN 22 CO 0.09 -0.43 0.26 1.49 -1.93 0.00 0.00 178.83 178.31 2jjz h GLU 23 N -0.67 0.29 -0.31 1.69 4.22 -1.40 -0.75 114.58 117.65 2jjz h GLU 23 Ca -0.02 -0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.38 2jjz h GLU 23 Cb 0.64 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2jjz h GLU 23 CO -0.19 0.19 0.09 -0.09 -2.18 0.00 0.00 179.01 176.83 2jjz h ARG 24 N 0.30 0.48 -0.46 1.92 2.43 -1.19 -0.20 114.38 117.66 2jjz h ARG 24 Ca 0.49 -0.11 0.01 0.00 -0.81 0.00 0.00 59.98 59.57 2jjz h ARG 24 Cb 0.91 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.37 2jjz h ARG 24 CO -0.55 0.53 0.28 -0.09 -1.51 0.00 0.00 179.97 178.63 2jjz h ARG 25 N 0.33 0.55 -0.18 0.20 9.65 -0.09 -1.27 114.38 123.57 2jjz h ARG 25 Ca 0.10 -0.03 -0.09 0.00 -1.10 0.00 0.00 59.98 58.85 2jjz h ARG 25 Cb 0.25 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 2jjz h ARG 25 CO -0.00 0.37 -0.28 -0.07 2.80 0.00 0.00 179.97 182.78 2jjz h LEU 26 N 0.57 0.35 -0.49 3.80 3.38 -0.99 -1.83 115.31 120.10 2jjz h LEU 26 Ca 0.18 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2jjz h LEU 26 Cb -0.02 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2jjz h LEU 26 CO -0.07 0.63 0.22 0.00 0.09 0.00 0.00 178.44 179.32 2jjz h ALA 27 N 1.40 0.63 -0.70 1.53 0.00 -0.78 -0.62 119.26 120.72 2jjz h ALA 27 Ca 0.04 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.89 2jjz h ALA 27 Cb 0.66 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 2jjz h ALA 27 CO 0.05 0.21 0.39 0.93 0.00 0.00 0.00 179.25 180.83 2jjz h GLU 28 N 0.64 0.70 -0.21 0.00 5.08 -0.61 -1.90 114.58 118.27 2jjz h GLU 28 Ca 0.17 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2jjz h GLU 28 Cb 0.14 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2jjz h GLU 28 CO -0.02 0.46 0.10 0.82 -1.00 0.00 0.00 179.01 179.37 2jjz h ILE 29 N 0.72 1.13 -0.86 3.13 2.04 -1.22 -2.48 117.51 119.97 2jjz h ILE 29 Ca 0.31 -0.38 0.19 0.00 1.00 0.00 0.00 64.86 65.98 2jjz h ILE 29 Cb 0.20 1.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.17 2jjz h ILE 29 CO -0.19 0.13 0.37 0.78 0.00 0.00 0.00 178.15 179.24 2jjz h ASN 30 N 0.21 0.34 -0.62 1.72 2.35 -1.00 -1.18 115.58 117.41 2jjz h ASN 30 Ca 0.07 0.13 -0.05 0.00 -0.55 0.00 0.00 56.30 55.91 2jjz h ASN 30 Cb 0.11 0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.56 2jjz h ASN 30 CO -0.01 0.06 0.19 -0.09 -1.65 0.00 0.00 177.43 175.93 2jjz h ARG 31 N 0.45 0.96 -0.21 0.81 9.65 -1.03 -0.58 114.38 124.42 2jjz h ARG 31 Ca 0.51 -0.21 0.04 0.00 -1.10 0.00 0.00 59.98 59.22 2jjz h ARG 31 Cb 0.88 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 29.29 2jjz h ARG 31 CO -0.47 0.85 -0.01 0.93 2.80 0.00 0.00 179.97 184.06 2jjz h GLU 32 N 0.88 0.05 -0.74 0.20 5.08 -0.92 -1.97 114.58 117.16 2jjz h GLU 32 Ca 0.20 -0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.63 2jjz h GLU 32 Cb 0.29 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 2jjz h GLU 32 CO -0.01 0.03 0.42 0.74 -1.00 0.00 0.00 179.01 179.20 2jjz h PHE 33 N 0.05 0.78 -0.51 4.33 0.04 -0.98 -2.27 116.94 118.38 2jjz h PHE 33 Ca 0.10 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.81 2jjz h PHE 33 Cb 0.13 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.02 2jjz h PHE 33 CO -0.19 0.36 -0.02 1.25 -0.60 0.00 0.00 178.31 179.10 2jjz h LEU 34 N 0.76 0.85 -0.29 1.54 5.85 -0.84 -3.19 115.31 119.99 2jjz h LEU 34 Ca 0.34 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2jjz h LEU 34 Cb 0.23 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.04 2jjz h LEU 34 CO -0.20 0.93 -0.69 0.00 -0.34 0.00 0.00 178.44 178.14 2jjz s ASP 36 N -2.82 6.17 0.52 0.00 2.15 -0.86 -4.96 116.67 116.87 2jjz s ASP 36 Ca 0.13 1.68 0.25 0.00 0.43 0.00 0.00 52.55 55.04 2jjz s ASP 36 Cb 0.17 -2.52 1.37 0.00 -0.30 0.00 0.00 42.92 41.64 2jjz s ASP 36 CO 0.73 -0.90 1.99 -0.61 -0.17 0.00 0.00 175.17 176.20 2jjz h GLN 37 N 0.59 0.04 -0.86 4.34 -0.00 -1.91 -3.34 115.11 113.96 2jjz h GLN 37 Ca -0.47 -0.00 0.08 0.00 -0.00 0.00 0.00 58.65 58.26 2jjz h GLN 37 Cb 1.20 -0.01 -0.07 0.00 0.00 0.00 0.00 27.48 28.61 2jjz h GLN 37 CO 0.59 0.02 0.52 -0.22 0.00 0.00 0.00 178.83 179.75 2jjz h LYS 38 N 0.04 0.88 0.00 1.69 3.64 -1.93 -2.26 116.57 118.64 2jjz h LYS 38 Ca 0.27 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 2jjz h LYS 38 Cb 1.01 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 2jjz h LYS 38 CO -0.01 0.59 -0.51 0.66 -2.27 0.00 0.00 179.45 177.90 2jjz n TYR 39 N -4.66 0.00 0.32 1.91 4.01 -1.25 -4.71 117.16 112.78 2jjz n TYR 39 Ca 0.14 -1.42 0.10 0.00 -0.16 0.00 0.00 57.90 56.55 2jjz n TYR 39 Cb 0.23 -0.24 0.44 0.00 -0.31 0.00 0.00 39.34 39.46 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 -1.04 0.47 0.04 7.72 3.41 -0.85 -1.43 113.62 121.94 2jjz n SER 40 Ca 0.18 0.65 0.13 0.00 -0.26 0.00 0.00 58.87 59.57 2jjz n SER 40 Cb 0.71 -0.73 0.40 0.00 -0.26 0.00 0.00 64.21 64.33 2jjz n SER 40 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2jjz n ASP 41 N -2.05 0.44 -4.68 4.04 5.75 -1.26 -4.90 116.55 113.89 2jjz n ASP 41 Ca 0.01 0.28 -0.41 0.00 -0.01 0.00 0.00 54.79 54.66 2jjz n ASP 41 Cb 0.15 -0.28 -0.04 0.00 -1.03 0.00 0.00 41.12 39.93 2jjz n ASP 41 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 2jjz s GLU 42 N -3.06 4.34 0.52 0.11 2.56 -0.51 -5.05 118.70 117.61 2jjz s GLU 42 Ca 0.11 1.05 -0.18 0.00 0.00 0.00 0.00 54.97 55.95 2jjz s GLU 42 Cb 0.16 -3.55 -0.07 0.00 2.00 0.00 0.00 34.13 32.67 2jjz s GLU 42 CO 0.62 -0.27 1.02 -1.21 -0.56 0.00 0.00 175.26 174.86 2jjz s GLU 43 N 1.93 3.77 -1.39 4.30 0.41 -1.26 -4.05 118.70 122.40 2jjz s GLU 43 Ca 0.40 1.17 -0.06 0.00 -0.41 0.00 0.00 54.97 56.07 2jjz s GLU 43 Cb -0.17 -2.10 0.03 0.00 -1.78 0.00 0.00 34.13 30.11 2jjz s GLU 43 CO 0.14 -0.43 0.45 0.09 -0.49 0.00 0.00 175.26 175.02 2jjz n ASN 44 N -1.39 -4.84 -0.25 -0.19 3.02 -1.26 -4.88 115.26 105.47 2jjz n ASN 44 Ca 0.08 -0.25 -0.05 0.00 -0.03 0.00 0.00 54.58 54.33 2jjz n ASN 44 Cb 0.53 -3.97 0.05 0.00 -0.61 0.00 0.00 39.78 35.79 2jjz n ASN 44 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2jjz h LEU 45 N -0.96 0.80 -0.88 3.41 5.85 -1.96 -2.22 115.31 119.35 2jjz h LEU 45 Ca -0.46 -0.02 0.15 0.00 0.84 0.00 0.00 57.88 58.39 2jjz h LEU 45 Cb 1.32 -0.20 -0.09 0.00 0.37 0.00 0.00 40.66 42.05 2jjz h LEU 45 CO 0.53 0.58 0.48 -0.65 -0.34 0.00 0.00 178.44 179.03 2jjz h PRO 46 N 0.94 0.66 -0.33 5.25 0.11 -1.94 -0.01 132.00 136.69 2jjz h PRO 46 Ca 0.26 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.19 2jjz h PRO 46 Cb -0.11 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 30.85 2jjz h PRO 46 CO -0.06 0.43 -0.32 0.93 -0.21 0.00 0.00 178.00 178.78 2jjz h GLU 47 N 0.68 0.79 -0.37 1.05 3.07 -1.88 -2.11 114.58 115.81 2jjz h GLU 47 Ca 0.48 -0.42 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 2jjz h GLU 47 Cb 0.67 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.58 2jjz h GLU 47 CO -0.36 1.05 0.24 0.87 -1.40 0.00 0.00 179.01 179.41 2jjz h LYS 48 N 0.57 0.50 -0.29 2.33 1.57 -0.80 -1.78 116.57 118.66 2jjz h LYS 48 Ca 0.05 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 2jjz h LYS 48 Cb 0.90 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 2jjz h LYS 48 CO 0.08 0.35 0.02 -0.07 -0.57 0.00 0.00 179.45 179.26 2jjz h LEU 49 N 0.50 0.49 -0.65 2.94 3.38 -0.97 -0.59 115.31 120.40 2jjz h LEU 49 Ca 0.14 -0.29 0.13 0.00 0.09 0.00 0.00 57.88 57.95 2jjz h LEU 49 Cb -0.03 -0.13 -0.10 0.00 0.09 0.00 0.00 40.66 40.49 2jjz h LEU 49 CO -0.03 0.65 0.13 0.74 0.09 0.00 0.00 178.44 180.02 2jjz h THR 50 N 0.31 0.57 -0.39 0.22 2.02 -1.31 -0.86 112.91 113.47 2jjz h THR 50 Ca 0.09 -0.08 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 2jjz h THR 50 Cb 0.39 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 2jjz h THR 50 CO 0.01 0.04 -0.06 0.00 0.37 0.00 0.00 175.52 175.89 2jjz h ALA 51 N 1.54 1.17 -0.37 6.16 0.00 -1.00 -1.17 119.26 125.58 2jjz h ALA 51 Ca 0.35 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2jjz h ALA 51 Cb 0.56 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2jjz h ALA 51 CO -0.46 0.53 0.01 0.74 0.00 0.00 0.00 179.25 180.07 2jjz h PHE 52 N 0.61 0.71 -0.12 0.00 0.04 -0.47 -0.64 116.94 117.06 2jjz h PHE 52 Ca 0.12 -0.12 0.03 0.00 2.80 0.00 0.00 57.97 60.80 2jjz h PHE 52 Cb 0.47 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.40 2jjz h PHE 52 CO 0.02 0.74 -0.09 -0.22 -0.60 0.00 0.00 178.31 178.16 2jjz h LYS 53 N 0.48 -0.10 -0.01 1.51 3.64 -1.02 -0.06 116.57 121.01 2jjz h LYS 53 Ca 0.11 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.51 2jjz h LYS 53 Cb 0.45 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 2jjz h LYS 53 CO 0.02 -0.06 -0.08 0.93 -2.27 0.00 0.00 179.45 177.98 2jjz h GLU 54 N -0.10 -0.13 -0.32 1.90 5.08 -1.16 -1.69 114.58 118.15 2jjz h GLU 54 Ca 0.08 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.52 2jjz h GLU 54 Cb 0.22 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.42 2jjz h GLU 54 CO -0.19 -0.09 -0.20 0.87 -1.00 0.00 0.00 179.01 178.41 2jjz h LYS 55 N -0.14 -0.16 -0.79 2.33 1.79 -1.02 -2.77 116.57 115.82 2jjz h LYS 55 Ca 0.04 0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.55 2jjz h LYS 55 Cb 0.18 0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 30.82 2jjz h LYS 55 CO -0.09 -0.10 0.50 -0.92 -1.08 0.00 0.00 179.45 177.75 2jjz h TYR 56 N -0.16 0.94 0.00 -1.35 3.20 -0.88 -2.40 116.97 116.31 2jjz h TYR 56 Ca 0.17 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.06 2jjz h TYR 56 Cb 0.42 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.38 2jjz h TYR 56 CO -0.40 0.54 0.00 -1.33 -1.64 0.00 0.00 178.16 175.33 2jjz n MET 57 N -4.60 0.07 0.21 1.82 2.81 -0.65 -1.93 117.12 114.85 2jjz n MET 57 Ca 0.09 0.46 0.11 0.00 -1.81 0.00 0.00 57.70 56.55 2jjz n MET 57 Cb 0.08 -1.68 0.18 0.00 -0.71 0.00 0.00 33.22 31.10 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 -7.01 0.03 5.08 -1.33 -3.45 114.58 107.90 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 0.12 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.43 2jjz h GLU 58 CO 0.00 0.06 0.46 -0.06 -1.00 0.00 0.00 179.01 178.47 2jjz s PHE 59 N -3.21 2.95 -0.51 4.33 0.40 -0.81 -4.99 117.98 116.13 2jjz s PHE 59 Ca 0.06 1.56 -0.26 0.00 -0.60 0.00 0.00 56.93 57.70 2jjz s PHE 59 Cb 0.05 -3.30 0.03 0.00 0.51 0.00 0.00 43.02 40.32 2jjz s PHE 59 CO 0.67 -1.29 1.00 -0.51 0.70 0.00 0.00 175.22 175.79 2jjz s ASP 60 N -1.48 6.45 0.54 1.36 1.01 -1.26 -5.03 116.67 118.25 2jjz s ASP 60 Ca 0.63 -0.01 -0.05 0.00 0.71 0.00 0.00 52.55 53.84 2jjz s ASP 60 Cb -0.26 -2.47 -0.01 0.00 1.01 0.00 0.00 42.92 41.19 2jjz s ASP 60 CO 0.32 -1.20 0.83 -0.76 0.21 0.00 0.00 175.17 174.57 2jjz s LEU 61 N 4.09 3.42 1.03 1.23 1.43 -1.26 -4.07 118.68 124.56 2jjz s LEU 61 Ca 0.37 0.75 -0.17 0.00 -1.03 0.00 0.00 54.13 54.05 2jjz s LEU 61 Cb -0.10 -3.63 0.24 0.00 0.03 0.00 0.00 46.19 42.72 2jjz s LEU 61 CO 0.24 -0.84 1.33 0.54 0.23 0.00 0.00 176.35 177.85 2jjz s ASN 62 N -4.22 2.50 0.00 2.29 2.20 0.34 -4.87 114.94 113.18 2jjz s ASN 62 Ca 0.51 0.19 0.12 0.00 -0.94 0.00 0.00 52.86 52.74 2jjz s ASN 62 Cb -0.10 -0.14 0.60 0.00 -2.00 0.00 0.00 41.25 39.61 2jjz s ASN 62 CO 0.44 -3.11 1.31 -0.46 -2.94 0.00 0.00 177.10 172.34 2jjz n ASN 63 N -4.00 0.00 -1.49 3.54 0.23 -1.26 -1.06 115.26 111.22 2jjz n ASN 63 Ca 0.17 0.15 0.11 0.00 -0.53 0.00 0.00 54.58 54.48 2jjz n ASN 63 Cb 0.59 -0.31 0.35 0.00 -2.08 0.00 0.00 39.78 38.33 2jjz n ASN 63 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2jjz n GLU 64 N -1.31 3.17 -1.79 -3.83 1.02 -1.26 -4.96 120.64 111.69 2jjz n GLU 64 Ca 0.05 -2.79 -0.12 0.00 -0.02 0.00 0.00 57.16 54.28 2jjz n GLU 64 Cb 0.10 -1.72 -0.03 0.00 -0.02 0.00 0.00 31.44 29.77 2jjz n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jjz n GLY 65 N 1.48 0.60 3.65 0.62 0.00 -0.23 -5.04 105.19 106.28 2jjz n GLY 65 Ca 0.26 -0.41 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.82 2.20 -0.25 1.61 2.02 -1.25 -4.67 118.70 114.55 2jjz s GLU 66 Ca 0.00 -1.60 -0.22 0.00 0.02 0.00 0.00 54.97 53.17 2jjz s GLU 66 Cb 0.00 -2.06 -0.01 0.00 0.10 0.00 0.00 34.13 32.16 2jjz s GLU 66 CO 0.00 0.21 0.71 0.42 0.02 0.00 0.00 175.26 176.62 2jjz s ILE 67 N -2.43 4.93 0.19 -1.63 1.01 -0.43 -0.51 121.20 122.33 2jjz s ILE 67 Ca 0.34 1.31 0.01 0.00 0.00 0.00 0.00 60.65 62.31 2jjz s ILE 67 Cb -0.03 -4.01 0.01 0.00 0.01 0.00 0.00 42.46 38.44 2jjz s ILE 67 CO 0.20 -0.01 0.05 -0.90 0.00 0.00 0.00 174.94 174.29 2jjz n ASP 68 N 5.79 2.17 -0.27 3.58 5.75 -1.26 -1.40 116.55 130.90 2jjz n ASP 68 Ca 0.02 -1.74 -0.03 0.00 -0.01 0.00 0.00 54.79 53.02 2jjz n ASP 68 Cb 0.48 0.07 0.08 0.00 -1.03 0.00 0.00 41.12 40.73 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 0.82 -0.61 -2.12 5.85 -1.96 -1.34 115.31 115.94 2jjz h LEU 69 Ca -0.14 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.63 2jjz h LEU 69 Cb 0.45 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 2jjz h LEU 69 CO 0.23 0.57 0.33 -0.03 -0.34 0.00 0.00 178.44 179.19 2jjz h MET 70 N 0.96 0.59 -0.62 1.25 4.05 -1.96 0.35 114.93 119.56 2jjz h MET 70 Ca 0.30 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.67 2jjz h MET 70 Cb -0.02 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 30.62 2jjz h MET 70 CO -0.10 0.39 0.34 0.77 0.23 0.00 0.00 176.91 178.54 2jjz h SER 71 N 0.61 0.78 -0.38 1.39 0.02 -1.60 -1.61 113.55 112.77 2jjz h SER 71 Ca 0.27 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 61.08 2jjz h SER 71 Cb 0.18 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 2jjz h SER 71 CO -0.18 0.65 0.05 0.25 -1.14 0.00 0.00 176.83 176.46 2jjz h LEU 72 N 0.84 0.62 -0.20 5.07 5.85 -0.79 -2.14 115.31 124.56 2jjz h LEU 72 Ca 0.22 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.69 2jjz h LEU 72 Cb 0.05 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 2jjz h LEU 72 CO -0.03 0.73 0.05 0.50 -0.34 0.00 0.00 178.44 179.35 2jjz h LYS 73 N 0.48 0.13 -0.58 1.25 3.64 0.10 -0.64 116.57 120.95 2jjz h LYS 73 Ca 0.11 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 2jjz h LYS 73 Cb 0.39 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 2jjz h LYS 73 CO 0.01 0.09 0.12 0.00 -2.27 0.00 0.00 179.45 177.40 2jjz h ARG 74 N 0.13 0.92 -0.16 1.90 3.08 -1.27 -1.63 114.38 117.35 2jjz h ARG 74 Ca 0.09 -0.21 -0.06 0.00 0.07 0.00 0.00 59.98 59.87 2jjz h ARG 74 Cb 0.07 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 2jjz h ARG 74 CO -0.11 0.83 -0.13 1.98 -1.07 0.00 0.00 179.97 181.48 2jjz h MET 75 N 0.87 0.37 -0.88 0.04 4.05 -1.08 -0.86 114.93 117.44 2jjz h MET 75 Ca 0.19 -0.18 0.09 0.00 -0.28 0.00 0.00 59.70 59.51 2jjz h MET 75 Cb 0.34 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.08 2jjz h MET 75 CO 0.00 0.73 0.54 0.52 0.23 0.00 0.00 176.91 178.93 2jjz h MET 76 N 0.01 0.89 -0.25 0.39 2.86 -0.98 0.79 114.93 118.65 2jjz h MET 76 Ca 0.03 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 2jjz h MET 76 Cb 0.65 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 2jjz h MET 76 CO 0.03 0.59 0.01 1.49 1.06 0.00 0.00 176.91 180.10 2jjz h GLU 77 N 0.92 0.43 -0.81 1.72 4.81 -1.18 0.15 114.58 120.63 2jjz h GLU 77 Ca 0.41 -0.13 0.13 0.00 -0.13 0.00 0.00 59.36 59.63 2jjz h GLU 77 Cb 0.30 -0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.56 2jjz h GLU 77 CO -0.22 0.59 0.42 -0.22 -0.73 0.00 0.00 179.01 178.85 2jjz h LYS 78 N 0.22 0.62 -0.00 1.92 3.64 -0.25 -1.38 116.57 121.33 2jjz h LYS 78 Ca 0.07 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2jjz h LYS 78 Cb 0.39 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2jjz h LYS 78 CO 0.01 0.41 -0.04 1.28 -2.27 0.00 0.00 179.45 178.85 2jjz n LEU 79 N -4.85 0.18 -2.04 5.20 4.77 0.19 -4.93 117.00 115.51 2jjz n LEU 79 Ca 0.15 0.14 -0.16 0.00 -0.03 0.00 0.00 56.01 56.11 2jjz n LEU 79 Cb 0.37 -0.20 0.01 0.00 -2.33 0.00 0.00 43.42 41.27 2jjz n LEU 79 CO 0.23 0.03 -0.09 0.61 -1.33 0.00 0.00 177.39 176.84 2jjz n GLY 80 N 1.24 -0.24 3.24 -0.72 0.00 -0.52 -5.02 105.19 103.17 2jjz n GLY 80 Ca 0.16 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.90 3.78 0.17 1.61 1.01 -0.06 -5.02 120.40 118.99 2jjz s VAL 81 Ca 0.12 -1.35 -0.31 0.00 0.00 0.00 0.00 61.98 60.44 2jjz s VAL 81 Cb -0.05 -3.25 -0.10 0.00 0.00 0.00 0.00 36.38 32.98 2jjz s VAL 81 CO 0.15 -0.33 1.52 -2.84 0.00 0.00 0.00 175.10 173.59 2jjz s PRO 82 N 1.36 4.24 -0.04 2.72 0.02 -1.26 -4.45 135.00 137.59 2jjz s PRO 82 Ca 0.01 2.30 -0.01 0.00 0.02 0.00 0.00 61.00 63.32 2jjz s PRO 82 Cb -0.21 -3.16 0.03 0.00 0.02 0.00 0.00 34.50 31.18 2jjz s PRO 82 CO 0.01 -0.55 0.08 0.15 -0.33 0.00 0.00 177.00 176.36 2jjz s LYS 83 N 0.93 -0.01 1.03 5.54 -0.14 -1.26 -5.12 119.74 120.71 2jjz s LYS 83 Ca 0.68 0.31 -0.14 0.00 -1.36 0.00 0.00 55.97 55.46 2jjz s LYS 83 Cb -0.42 -0.29 0.20 0.00 -1.68 0.00 0.00 37.83 35.64 2jjz s LYS 83 CO 0.33 -0.22 1.11 0.95 -0.76 0.00 0.00 175.35 176.75 2jjz s THR 84 N 1.47 1.93 0.15 2.17 -4.23 -1.26 -4.80 115.64 111.08 2jjz s THR 84 Ca -0.05 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.28 2jjz s THR 84 Cb -0.12 -2.53 0.04 0.00 1.34 0.00 0.00 72.50 71.23 2jjz s THR 84 CO -0.04 0.00 1.68 -0.74 -0.54 0.00 0.00 174.62 174.98 2jjz h HIS 85 N -1.99 -0.22 -0.51 3.99 -0.00 -2.01 -1.12 115.15 113.29 2jjz h HIS 85 Ca -0.53 0.03 -0.11 0.00 -0.00 0.00 0.00 60.37 59.76 2jjz h HIS 85 Cb 1.33 0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 28.86 2jjz h HIS 85 CO -0.14 -0.16 -0.11 1.25 -0.00 0.00 0.00 177.93 178.77 2jjz h LEU 86 N -0.03 0.95 -0.77 0.26 5.85 -1.98 -0.05 115.31 119.54 2jjz h LEU 86 Ca 0.15 -0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.61 2jjz h LEU 86 Cb 0.26 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 2jjz h LEU 86 CO -0.33 1.07 0.47 -0.33 -0.34 0.00 0.00 178.44 178.98 2jjz h GLU 87 N 0.85 0.87 -0.33 1.25 5.08 -1.85 0.41 114.58 120.86 2jjz h GLU 87 Ca 0.13 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 2jjz h GLU 87 Cb 0.66 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2jjz h GLU 87 CO 0.05 0.57 -0.24 0.52 -1.00 0.00 0.00 179.01 178.91 2jjz h MET 88 N 0.89 0.75 -0.46 2.33 2.86 -0.48 -1.13 114.93 119.69 2jjz h MET 88 Ca 0.32 -0.36 0.09 0.00 -2.06 0.00 0.00 59.70 57.69 2jjz h MET 88 Cb 0.10 -0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.66 2jjz h MET 88 CO -0.14 0.98 -0.34 0.87 1.06 0.00 0.00 176.91 179.34 2jjz h LYS 89 N 0.52 -0.22 -0.36 1.72 1.57 -0.88 -1.97 116.57 116.95 2jjz h LYS 89 Ca 0.06 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2jjz h LYS 89 Cb 0.80 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 2jjz h LYS 89 CO 0.06 -0.15 0.17 0.87 -0.57 0.00 0.00 179.45 179.84 2jjz h LYS 90 N -0.23 0.50 -0.75 3.15 1.57 -0.79 -1.63 116.57 118.40 2jjz h LYS 90 Ca 0.19 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 2jjz h LYS 90 Cb 0.54 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 2jjz h LYS 90 CO -0.58 0.39 0.35 0.52 -0.57 0.00 0.00 179.45 179.56 2jjz h MET 91 N 0.50 1.07 -0.02 3.15 2.86 -0.48 -0.40 114.93 121.62 2jjz h MET 91 Ca 0.13 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.57 2jjz h MET 91 Cb 0.06 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.53 2jjz h MET 91 CO -0.02 0.83 -0.15 0.82 1.06 0.00 0.00 176.91 179.45 2jjz h ILE 92 N 1.06 1.53 0.00 -1.22 2.04 -1.13 -3.18 117.51 116.60 2jjz h ILE 92 Ca 0.26 -1.76 0.00 0.00 1.00 0.00 0.00 64.86 64.35 2jjz h ILE 92 Cb 0.12 2.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 2jjz h ILE 92 CO -0.03 0.48 0.00 0.77 0.00 0.00 0.00 178.15 179.37 2jjz h SER 93 N -0.52 0.00 0.13 1.72 4.64 -1.24 0.75 113.55 119.03 2jjz h SER 93 Ca -0.01 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.20 2jjz h SER 93 Cb 0.86 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.94 2jjz h SER 93 CO 0.03 0.00 -0.37 -0.08 -0.87 0.00 0.00 176.83 175.54 2jjz h GLU 94 N 0.00 0.33 0.03 4.77 4.81 -1.12 0.48 114.58 123.87 2jjz h GLU 94 Ca 0.00 -0.15 -0.25 0.00 -0.13 0.00 0.00 59.36 58.83 2jjz h GLU 94 Cb 0.47 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 2jjz h GLU 94 CO 0.00 0.66 -1.28 0.28 -0.73 0.00 0.00 179.01 177.94 2jjz h VAL 95 N 0.28 1.39 -0.02 0.32 2.07 -0.88 -3.36 116.25 116.05 2jjz h VAL 95 Ca 0.03 -3.12 0.00 0.00 0.82 0.00 0.00 66.70 64.43 2jjz h VAL 95 Cb 0.78 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 33.28 2jjz h VAL 95 CO 0.06 0.82 -0.03 0.35 0.02 0.00 0.00 177.57 178.80 2jjz n THR 96 N -3.30 0.00 -1.51 2.57 -2.24 -0.52 -4.96 114.28 104.32 2jjz n THR 96 Ca -0.07 -0.49 -0.15 0.00 -2.27 0.00 0.00 64.05 61.07 2jjz n THR 96 Cb 0.99 1.35 -0.06 0.00 -2.10 0.00 0.00 70.33 70.52 2jjz n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jjz n GLY 97 N 1.00 1.36 1.58 3.38 0.00 0.05 -2.69 105.19 109.87 2jjz n GLY 97 Ca 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.15 0.75 0.78 -0.02 0.00 -0.57 -4.93 105.19 100.05 2jjz n GLY 98 Ca -0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.99 2jjz n GLY 98 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2jjz n VAL 99 N -2.33 0.00 -3.73 1.61 0.24 -1.09 -4.90 118.33 108.13 2jjz n VAL 99 Ca 0.00 -0.41 -0.14 0.00 -2.04 0.00 0.00 64.34 61.75 2jjz n VAL 99 Cb 0.00 1.37 -0.09 0.00 -1.47 0.00 0.00 33.84 33.65 2jjz n VAL 99 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2jjz s SER 100 N -2.16 -0.29 0.00 -1.34 0.15 -1.26 -5.05 113.70 103.75 2jjz s SER 100 Ca 0.25 0.29 0.24 0.00 0.70 0.00 0.00 55.95 57.43 2jjz s SER 100 Cb 0.19 0.43 0.56 0.00 -1.71 0.00 0.00 66.02 65.49 2jjz s SER 100 CO 0.39 -0.41 1.46 0.47 1.20 0.00 0.00 173.24 176.35 2jjz n ASP 101 N 1.51 2.49 -4.22 5.45 8.00 -1.26 -4.66 116.55 123.86 2jjz n ASP 101 Ca -0.20 -1.82 -0.13 0.00 0.71 0.00 0.00 54.79 53.35 2jjz n ASP 101 Cb 0.56 -0.07 -0.10 0.00 -0.02 0.00 0.00 41.12 41.49 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 -1.85 0.87 -0.22 -3.53 -4.23 -1.26 -4.52 115.64 100.89 2jjz s THR 102 Ca 0.34 -1.99 -0.04 0.00 -1.18 0.00 0.00 61.69 58.82 2jjz s THR 102 Cb 0.20 -1.87 -0.01 0.00 1.34 0.00 0.00 72.50 72.17 2jjz s THR 102 CO 0.31 -0.72 -0.05 -0.63 -0.54 0.00 0.00 174.62 172.99 2jjz s ILE 103 N -3.52 3.34 0.75 2.99 1.01 -0.49 -4.93 121.20 120.35 2jjz s ILE 103 Ca 0.17 -0.51 -0.12 0.00 0.00 0.00 0.00 60.65 60.20 2jjz s ILE 103 Cb 0.05 -2.51 0.04 0.00 0.01 0.00 0.00 42.46 40.04 2jjz s ILE 103 CO -0.00 0.43 1.13 -0.94 0.00 0.00 0.00 174.94 175.55 2jjz s SER 104 N 1.43 5.03 0.21 3.58 1.04 -1.26 -1.31 113.70 122.42 2jjz s SER 104 Ca 0.05 0.96 -0.10 0.00 0.48 0.00 0.00 55.95 57.35 2jjz s SER 104 Cb -0.14 -1.63 0.28 0.00 0.10 0.00 0.00 66.02 64.63 2jjz s SER 104 CO -0.03 -1.59 1.73 0.22 0.98 0.00 0.00 173.24 174.55 2jjz h TYR 105 N -0.82 0.30 -0.50 5.02 3.20 -1.99 -0.37 116.97 121.81 2jjz h TYR 105 Ca -0.45 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.50 2jjz h TYR 105 Cb 1.29 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 39.46 2jjz h TYR 105 CO 0.42 0.04 0.22 0.00 -1.64 0.00 0.00 178.16 177.19 2jjz h ARG 106 N 0.33 0.42 -0.67 1.82 3.08 -1.99 -0.11 114.38 117.27 2jjz h ARG 106 Ca 0.31 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.36 2jjz h ARG 106 Cb 0.42 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 2jjz h ARG 106 CO -0.35 0.28 0.41 -0.44 -1.07 0.00 0.00 179.97 178.80 2jjz h ASP 107 N 0.43 0.67 -0.18 7.04 3.32 -1.80 -0.64 116.42 125.25 2jjz h ASP 107 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2jjz h ASP 107 Cb 0.18 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 2jjz h ASP 107 CO -0.19 0.46 0.12 0.15 -1.72 0.00 0.00 179.24 178.06 2jjz h PHE 108 N 0.80 0.24 -0.78 4.55 3.57 -0.00 0.27 116.94 125.58 2jjz h PHE 108 Ca 0.27 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.76 2jjz h PHE 108 Cb 0.04 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 2jjz h PHE 108 CO -0.05 0.17 0.42 0.28 -2.23 0.00 0.00 178.31 176.90 2jjz h VAL 109 N 0.24 1.24 -0.60 1.41 2.07 -0.86 -1.79 116.25 117.96 2jjz h VAL 109 Ca 0.07 -0.60 -0.09 0.00 0.82 0.00 0.00 66.70 66.89 2jjz h VAL 109 Cb -0.01 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 2jjz h VAL 109 CO -0.01 0.27 0.01 0.78 0.02 0.00 0.00 177.57 178.63 2jjz h ASN 110 N 1.09 1.03 -0.02 0.57 2.35 -0.87 -1.62 115.58 118.10 2jjz h ASN 110 Ca 0.27 -0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2jjz h ASN 110 Cb 0.05 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.14 2jjz h ASN 110 CO -0.04 1.07 0.01 -0.03 -1.65 0.00 0.00 177.43 176.79 2jjz h MET 111 N 0.96 0.02 -0.70 0.81 4.05 -0.84 -0.37 114.93 118.87 2jjz h MET 111 Ca 0.17 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.57 2jjz h MET 111 Cb 0.54 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.31 2jjz h MET 111 CO 0.03 0.01 0.36 0.52 0.23 0.00 0.00 176.91 178.06 2jjz h MET 112 N 0.02 0.97 0.00 0.39 2.86 -1.14 -3.14 114.93 114.89 2jjz h MET 112 Ca 0.01 -0.12 -0.15 0.00 -2.06 0.00 0.00 59.70 57.38 2jjz h MET 112 Cb 0.01 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.45 2jjz h MET 112 CO -0.01 0.73 -1.38 1.28 1.06 0.00 0.00 176.91 178.60 2jjz n LEU 113 N -4.35 0.85 -4.76 1.22 4.77 -0.62 -4.98 117.00 109.13 2jjz n LEU 113 Ca 0.07 0.37 -0.29 0.00 -0.03 0.00 0.00 56.01 56.13 2jjz n LEU 113 Cb 0.12 0.06 0.13 0.00 -2.33 0.00 0.00 43.42 41.40 2jjz n LEU 113 CO 0.38 0.11 0.69 -0.83 -1.33 0.00 0.00 177.39 176.41 2jjz s GLY 114 N -4.75 1.60 0.11 -0.72 0.00 -0.15 -4.97 107.32 98.43 2jjz s GLY 114 Ca -0.03 -0.31 0.22 0.00 0.00 0.00 0.00 44.72 44.60 2jjz s GLY 114 CO 0.81 0.20 0.83 0.28 0.00 0.00 0.00 173.10 175.22 2jjz n LYS 115 N -3.76 0.61 -1.74 2.90 4.76 -1.26 -4.89 118.16 114.78 2jjz n LYS 115 Ca 0.06 -0.01 -0.41 0.00 -2.87 0.00 0.00 58.31 55.09 2jjz n LYS 115 Cb 0.57 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 32.07 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 -2.48 2.37 -3.03 1.97 1.74 -1.26 -4.95 116.66 111.02 2jjz n ARG 116 Ca -0.01 0.83 -0.33 0.00 -0.77 0.00 0.00 57.85 57.57 2jjz n ARG 116 Cb 0.55 -2.53 -0.06 0.00 -1.02 0.00 0.00 32.46 29.39 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 -0.28 6.89 -0.16 0.55 1.04 -1.26 -5.02 113.70 115.46 2jjz s SER 117 Ca 0.56 1.44 -0.09 0.00 0.48 0.00 0.00 55.95 58.35 2jjz s SER 117 Cb -0.50 -2.44 0.06 0.00 0.10 0.00 0.00 66.02 63.24 2jjz s SER 117 CO 0.62 -0.21 0.38 0.00 0.98 0.00 0.00 173.24 175.01 2jjz s ALA 118 N -1.96 -0.96 0.26 5.32 0.00 -1.26 -5.00 121.76 118.17 2jjz s ALA 118 Ca 0.55 1.43 -0.04 0.00 0.00 0.00 0.00 51.96 53.90 2jjz s ALA 118 Cb -0.11 -0.87 0.38 0.00 0.00 0.00 0.00 23.12 22.51 2jjz s ALA 118 CO 0.17 -0.25 1.87 0.28 0.00 0.00 0.00 175.76 177.83 2jjz h VAL 119 N 5.59 1.08 -0.96 0.00 2.07 -1.95 -2.35 116.25 119.73 2jjz h VAL 119 Ca -0.37 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 66.78 2jjz h VAL 119 Cb 1.18 -0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 2jjz h VAL 119 CO 0.31 0.20 0.63 0.25 0.02 0.00 0.00 177.57 178.99 2jjz h LEU 120 N 1.11 1.09 -0.73 2.57 5.85 -1.96 -2.37 115.31 120.87 2jjz h LEU 120 Ca 0.41 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 59.03 2jjz h LEU 120 Cb 0.16 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 2jjz h LEU 120 CO -0.17 0.78 0.09 0.50 -0.34 0.00 0.00 178.44 179.30 2jjz h LYS 121 N 1.28 1.06 0.05 1.25 3.64 -1.82 -0.15 116.57 121.89 2jjz h LYS 121 Ca 0.36 -0.28 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2jjz h LYS 121 Cb -0.12 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.57 2jjz h LYS 121 CO -0.08 0.98 -0.02 -0.07 -2.27 0.00 0.00 179.45 177.98 2jjz h LEU 122 N 0.99 -0.05 -0.68 5.20 3.38 -1.29 -1.41 115.31 121.44 2jjz h LEU 122 Ca 0.19 -0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.19 2jjz h LEU 122 Cb 0.44 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.12 2jjz h LEU 122 CO 0.01 0.06 0.23 0.58 0.09 0.00 0.00 178.44 179.42 2jjz h VAL 123 N -0.17 0.67 0.00 1.22 2.07 -1.31 0.35 116.25 119.09 2jjz h VAL 123 Ca -0.01 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 2jjz h VAL 123 Cb 0.15 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 2jjz h VAL 123 CO 0.01 0.07 -0.09 0.24 0.02 0.00 0.00 177.57 177.82 2jjz h MET 124 N 0.38 0.00 0.03 1.57 2.86 -0.79 -2.60 114.93 116.38 2jjz h MET 124 Ca 0.36 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.64 2jjz h MET 124 Cb 0.53 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.14 2jjz h MET 124 CO -0.39 0.09 -2.08 -1.33 1.06 0.00 0.00 176.91 174.27 2jjz n MET 125 N -3.39 0.64 0.00 1.72 2.00 -0.55 -4.45 117.12 113.09 2jjz n MET 125 Ca -0.01 0.32 0.13 0.00 0.00 0.00 0.00 57.70 58.14 2jjz n MET 125 Cb 0.26 -1.61 0.41 0.00 0.00 0.00 0.00 33.22 32.27 2jjz n MET 125 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 2jjz n PHE 126 N -3.90 0.00 -1.86 2.03 3.72 0.12 -5.09 117.46 112.47 2jjz n PHE 126 Ca -0.42 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 56.98 2jjz n PHE 126 Cb 0.89 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 39.23 2jjz n PHE 126 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86