#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jzi n ASP 2 N 0.00 0.00 -3.90 0.00 8.00 -1.26 -5.05 116.55 114.34 2jzi n ASP 2 Ca 0.00 -0.97 -0.29 0.00 0.71 0.00 0.00 54.79 54.23 2jzi n ASP 2 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 40.97 2jzi n ASP 2 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2jzi s GLN 3 N -2.73 2.09 0.36 -1.24 0.74 -1.26 -5.05 119.66 112.56 2jzi s GLN 3 Ca 0.00 -2.85 0.05 0.00 0.05 0.00 0.00 55.36 52.61 2jzi s GLN 3 Cb 0.00 -3.23 -0.01 0.00 1.10 0.00 0.00 33.01 30.87 2jzi s GLN 3 CO 0.00 -1.19 0.52 -0.51 -0.55 0.00 0.00 175.29 173.55 2jzi s LEU 4 N -0.69 3.91 0.33 3.68 1.43 -1.26 -5.11 118.68 120.96 2jzi s LEU 4 Ca 0.21 -0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.28 2jzi s LEU 4 Cb -0.17 -2.86 -0.02 0.00 0.03 0.00 0.00 46.19 43.17 2jzi s LEU 4 CO -0.07 -0.48 0.50 0.42 0.23 0.00 0.00 176.35 176.95 2jzi s THR 5 N -2.26 4.74 0.19 5.49 -4.23 -1.26 -4.84 115.64 113.47 2jzi s THR 5 Ca 0.45 -0.72 -0.17 0.00 -1.18 0.00 0.00 61.69 60.07 2jzi s THR 5 Cb -0.10 -3.70 0.17 0.00 1.34 0.00 0.00 72.50 70.21 2jzi s THR 5 CO 0.33 -0.37 1.62 -0.08 -0.54 0.00 0.00 174.62 175.57 2jzi h GLU 6 N 0.83 -0.09 0.00 3.99 4.81 -1.99 0.99 114.58 123.12 2jzi h GLU 6 Ca -0.49 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 58.71 2jzi h GLU 6 Cb 1.24 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 2jzi h GLU 6 CO 0.59 -0.06 -0.17 0.93 -0.73 0.00 0.00 179.01 179.57 2jzi h GLU 7 N -0.09 0.00 0.06 1.92 4.39 -1.98 0.41 114.58 119.29 2jzi h GLU 7 Ca 0.25 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.95 2jzi h GLU 7 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2jzi h GLU 7 CO -0.61 0.17 -0.03 1.96 -1.16 0.00 0.00 179.01 179.34 2jzi h GLN 8 N 0.00 -0.08 0.00 2.33 1.08 0.10 -3.28 115.11 115.26 2jzi h GLN 8 Ca -0.00 0.01 -0.12 0.00 -1.45 0.00 0.00 58.65 57.08 2jzi h GLN 8 Cb 0.35 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.78 2jzi h GLN 8 CO 0.02 0.45 -0.57 -0.84 -0.95 0.00 0.00 178.83 176.94 2jzi h ILE 9 N -0.68 1.30 -0.63 2.54 3.07 0.87 -2.87 117.51 121.11 2jzi h ILE 9 Ca -0.01 -2.04 0.18 0.00 1.55 0.00 0.00 64.86 64.54 2jzi h ILE 9 Cb 0.57 2.14 -0.03 0.00 -0.27 0.00 0.00 36.82 39.23 2jzi h ILE 9 CO 0.01 0.56 0.57 0.00 -1.05 0.00 0.00 178.15 178.24 2jzi h ALA 10 N 1.43 2.45 0.00 0.16 0.00 -0.24 1.70 119.26 124.75 2jzi h ALA 10 Ca -0.01 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 2jzi h ALA 10 Cb 1.09 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2jzi h ALA 10 CO 0.07 -0.89 -0.66 0.93 0.00 0.00 0.00 179.25 178.71 2jzi h GLU 11 N 0.00 0.00 0.03 0.00 5.08 -1.60 -2.88 114.58 115.21 2jzi h GLU 11 Ca 0.30 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2jzi h GLU 11 Cb 1.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.68 2jzi h GLU 11 CO -0.00 0.66 -0.01 0.74 -1.00 0.00 0.00 179.01 179.39 2jzi h PHE 12 N 0.00 -0.04 -0.15 4.33 -1.00 0.24 -3.20 116.94 117.13 2jzi h PHE 12 Ca -0.01 -0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.82 2jzi h PHE 12 Cb 1.27 0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.84 2jzi h PHE 12 CO 0.00 0.12 0.30 1.57 -1.61 0.00 0.00 178.31 178.69 2jzi h LYS 13 N -1.01 0.00 0.00 1.51 2.10 -1.20 1.31 116.57 119.28 2jzi h LYS 13 Ca -0.00 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.51 2jzi h LYS 13 Cb 0.17 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.48 2jzi h LYS 13 CO 0.01 0.00 -0.66 1.05 -2.00 0.00 0.00 179.45 177.85 2jzi h GLU 14 N 0.00 0.00 -0.09 0.07 4.11 -1.60 -1.99 114.58 115.08 2jzi h GLU 14 Ca 0.07 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.26 2jzi h GLU 14 Cb 0.67 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.93 2jzi h GLU 14 CO -0.00 0.66 -0.88 0.00 0.07 0.00 0.00 179.01 178.85 2jzi h ALA 15 N 1.34 0.26 0.10 1.06 0.00 0.16 0.48 119.26 122.66 2jzi h ALA 15 Ca -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2jzi h ALA 15 Cb 1.33 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 2jzi h ALA 15 CO 0.09 0.69 -0.09 0.74 0.00 0.00 0.00 179.25 180.68 2jzi h PHE 16 N 0.47 -0.23 0.00 0.00 0.04 -0.97 0.40 116.94 116.64 2jzi h PHE 16 Ca -0.08 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.62 2jzi h PHE 16 Cb 1.52 0.09 -0.01 0.00 2.20 0.00 0.00 35.95 39.75 2jzi h PHE 16 CO 0.09 -0.14 -0.33 0.66 -0.60 0.00 0.00 178.31 177.98 2jzi h SER 17 N -0.21 0.00 1.32 2.17 4.64 -1.38 -2.77 113.55 117.33 2jzi h SER 17 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 2jzi h SER 17 Cb 0.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 2jzi h SER 17 CO -0.02 0.33 -0.70 0.25 -0.87 0.00 0.00 176.83 175.82 2jzi h LEU 18 N 0.00 0.00 -1.13 5.97 6.46 0.40 -3.20 115.31 123.81 2jzi h LEU 18 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2jzi h LEU 18 Cb 0.97 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.90 2jzi h LEU 18 CO 0.04 0.54 -0.05 0.33 -0.62 0.00 0.00 178.44 178.68 2jzi n PHE 19 N -3.17 0.00 -4.12 1.25 7.35 0.14 -4.40 117.46 114.51 2jzi n PHE 19 Ca -0.00 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.35 2jzi n PHE 19 Cb 0.76 -0.01 -0.07 0.00 0.35 0.00 0.00 39.48 40.51 2jzi n PHE 19 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2jzi s ASP 20 N -2.07 5.69 0.08 -2.13 2.15 -1.06 -4.87 116.67 114.46 2jzi s ASP 20 Ca 0.34 0.18 -0.28 0.00 0.43 0.00 0.00 52.55 53.22 2jzi s ASP 20 Cb 0.20 -1.66 -0.17 0.00 -0.30 0.00 0.00 42.92 41.00 2jzi s ASP 20 CO 0.36 0.30 1.68 0.11 -0.17 0.00 0.00 175.17 177.45 2jzi h LYS 21 N 4.34 -0.45 -0.01 4.34 1.79 -1.86 -2.58 116.57 122.14 2jzi h LYS 21 Ca -0.50 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 2jzi h LYS 21 Cb 1.19 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 2jzi h LYS 21 CO 0.61 -0.30 -0.13 -0.40 -1.08 0.00 0.00 179.45 178.15 2jzi n ASP 22 N -5.29 0.73 -3.96 0.86 5.75 -1.26 -4.94 116.55 108.43 2jzi n ASP 22 Ca -0.10 -0.80 -0.27 0.00 -0.01 0.00 0.00 54.79 53.61 2jzi n ASP 22 Cb 0.20 -0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.28 2jzi n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jzi n GLY 23 N 1.27 -0.30 1.23 6.12 0.00 -0.97 -4.84 105.19 107.69 2jzi n GLY 23 Ca 0.15 0.15 0.04 0.00 0.00 0.00 0.00 46.02 46.36 2jzi n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jzi n ASP 24 N -2.92 3.53 0.00 1.61 5.68 -1.26 -4.84 116.55 118.34 2jzi n ASP 24 Ca -0.20 -2.46 0.00 0.00 -0.50 0.00 0.00 54.79 51.64 2jzi n ASP 24 Cb 0.63 -0.56 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 2jzi n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jzi n GLY 25 N 0.49 0.74 3.26 6.12 0.00 -1.26 -4.97 105.19 109.57 2jzi n GLY 25 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 2jzi n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jzi s THR 26 N -2.77 0.05 -0.10 2.61 -4.23 -1.26 -4.33 115.64 105.61 2jzi s THR 26 Ca 0.00 -0.39 -0.06 0.00 -1.18 0.00 0.00 61.69 60.06 2jzi s THR 26 Cb 0.00 -0.62 -0.04 0.00 1.34 0.00 0.00 72.50 73.18 2jzi s THR 26 CO 0.00 -0.21 0.11 -0.63 -0.54 0.00 0.00 174.62 173.35 2jzi s ILE 27 N -1.14 5.26 0.83 2.99 1.01 -1.26 -4.65 121.20 124.25 2jzi s ILE 27 Ca -0.12 0.09 -0.08 0.00 0.00 0.00 0.00 60.65 60.54 2jzi s ILE 27 Cb -0.05 -3.29 0.16 0.00 0.01 0.00 0.00 42.46 39.29 2jzi s ILE 27 CO 0.04 0.60 1.15 0.28 0.00 0.00 0.00 174.94 177.00 2jzi s THR 28 N -1.02 2.07 0.16 2.92 -1.32 -1.26 -2.95 115.64 114.24 2jzi s THR 28 Ca 0.16 -0.31 -0.08 0.00 -1.21 0.00 0.00 61.69 60.24 2jzi s THR 28 Cb -0.12 -2.77 -0.05 0.00 -1.51 0.00 0.00 72.50 68.05 2jzi s THR 28 CO 0.05 0.00 1.48 0.71 -2.21 0.00 0.00 174.62 174.65 2jzi h THR 29 N -1.05 1.28 -0.88 5.08 1.35 -1.83 -1.21 112.91 115.65 2jzi h THR 29 Ca -0.40 -1.64 0.02 0.00 -0.55 0.00 0.00 66.41 63.84 2jzi h THR 29 Cb 1.25 1.53 -0.05 0.00 -1.73 0.00 0.00 68.15 69.15 2jzi h THR 29 CO 0.40 0.54 0.58 0.07 -0.25 0.00 0.00 175.52 176.85 2jzi h LYS 30 N 0.65 1.12 0.19 4.72 5.09 -1.93 1.20 116.57 127.61 2jzi h LYS 30 Ca 0.04 -0.07 -0.01 0.00 0.09 0.00 0.00 60.65 60.70 2jzi h LYS 30 Cb 1.03 -0.25 0.00 0.00 0.10 0.00 0.00 32.23 33.11 2jzi h LYS 30 CO 0.10 0.74 -0.09 0.93 -2.09 0.00 0.00 179.45 179.04 2jzi h GLU 31 N 1.15 -0.25 0.48 0.07 4.39 -1.90 0.44 114.58 118.96 2jzi h GLU 31 Ca 0.34 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 60.03 2jzi h GLU 31 Cb -0.07 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2jzi h GLU 31 CO -0.09 0.13 -0.28 -0.07 -1.16 0.00 0.00 179.01 177.54 2jzi h LEU 32 N -0.73 -0.71 -0.53 1.33 3.38 -1.06 0.12 115.31 117.11 2jzi h LEU 32 Ca -0.03 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.04 2jzi h LEU 32 Cb 0.50 0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 2jzi h LEU 32 CO 0.04 -0.46 0.25 1.23 0.09 0.00 0.00 178.44 179.60 2jzi h GLY 33 N -0.73 0.75 1.83 0.83 0.00 0.14 -0.92 103.07 104.97 2jzi h GLY 33 Ca -0.06 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 2jzi h GLY 33 CO 0.07 0.08 -0.04 -0.84 0.00 0.00 0.00 176.54 175.80 2jzi h THR 34 N 0.48 1.13 0.51 4.70 2.02 0.11 0.87 112.91 122.73 2jzi h THR 34 Ca 0.24 -0.52 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 2jzi h THR 34 Cb 0.19 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 2jzi h THR 34 CO -0.19 0.17 -0.24 0.58 0.37 0.00 0.00 175.52 176.20 2jzi h VAL 35 N 0.22 0.33 -0.18 3.16 2.07 0.33 0.62 116.25 122.80 2jzi h VAL 35 Ca 0.05 -0.44 -0.18 0.00 0.82 0.00 0.00 66.70 66.95 2jzi h VAL 35 Cb 0.23 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2jzi h VAL 35 CO 0.01 0.05 -0.62 -0.03 0.02 0.00 0.00 177.57 177.00 2jzi h MET 36 N -1.01 0.62 -0.56 1.57 -1.53 -1.16 -1.74 114.93 111.13 2jzi h MET 36 Ca -0.07 -0.43 -0.09 0.00 -3.44 0.00 0.00 59.70 55.67 2jzi h MET 36 Cb 0.61 0.07 -0.02 0.00 -0.55 0.00 0.00 31.60 31.70 2jzi h MET 36 CO 0.11 1.05 -0.00 -0.09 0.14 0.00 0.00 176.91 178.12 2jzi h ARG 37 N 0.46 0.98 0.00 0.39 2.43 0.71 0.07 114.38 119.43 2jzi h ARG 37 Ca -0.01 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 2jzi h ARG 37 Cb 1.19 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2jzi h ARG 37 CO 0.12 0.99 0.00 0.45 -1.51 0.00 0.00 179.97 180.02 2jzi n SER 38 N -4.25 0.00 -0.09 -3.80 2.88 0.21 -3.07 113.62 105.51 2jzi n SER 38 Ca 0.02 0.38 -0.15 0.00 -1.33 0.00 0.00 58.87 57.79 2jzi n SER 38 Cb 0.34 -0.46 -0.07 0.00 -0.75 0.00 0.00 64.21 63.26 2jzi n SER 38 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2jzi h LEU 39 N 0.00 0.00 -1.95 2.46 6.46 -0.63 -3.47 115.31 118.19 2jzi h LEU 39 Ca 0.00 -0.31 -0.02 0.00 -0.12 0.00 0.00 57.88 57.44 2jzi h LEU 39 Cb 0.43 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.35 2jzi h LEU 39 CO 0.00 1.19 -0.03 0.61 -0.62 0.00 0.00 178.44 179.59 2jzi n GLY 40 N 1.51 -0.51 3.45 3.75 0.00 -0.16 -5.09 105.19 108.15 2jzi n GLY 40 Ca -0.22 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 2jzi n GLY 40 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jzi s GLN 41 N 0.01 1.90 -0.44 1.61 2.00 -0.21 -4.97 119.66 119.56 2jzi s GLN 41 Ca 0.00 -2.15 0.07 0.00 -2.00 0.00 0.00 55.36 51.29 2jzi s GLN 41 Cb 0.02 -0.33 0.35 0.00 0.80 0.00 0.00 33.01 33.84 2jzi s GLN 41 CO -0.01 -0.54 1.21 0.27 -0.50 0.00 0.00 175.29 175.72 2jzi n ASN 42 N -1.41 -2.15 -2.05 6.67 6.94 -1.26 -4.37 115.26 117.63 2jzi n ASN 42 Ca -0.02 -3.21 -0.01 0.00 -0.02 0.00 0.00 54.58 51.31 2jzi n ASN 42 Cb 0.64 1.56 0.01 0.00 -2.36 0.00 0.00 39.78 39.63 2jzi n ASN 42 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 2jzi n PRO 43 N -0.02 -0.00 -4.38 -0.53 -0.04 -1.26 -5.10 135.00 123.67 2jzi n PRO 43 Ca 0.03 -0.05 -0.28 0.00 -0.04 0.00 0.00 63.50 63.15 2jzi n PRO 43 Cb 0.76 -0.03 -0.12 0.00 -0.04 0.00 0.00 33.50 34.07 2jzi n PRO 43 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2jzi s THR 44 N -1.01 2.53 0.12 0.52 2.01 -1.26 -5.04 115.64 113.52 2jzi s THR 44 Ca 0.02 -1.83 -0.21 0.00 0.31 0.00 0.00 61.69 59.98 2jzi s THR 44 Cb -0.00 -2.19 -0.05 0.00 0.01 0.00 0.00 72.50 70.27 2jzi s THR 44 CO 0.01 -0.03 1.71 -0.33 -0.69 0.00 0.00 174.62 175.29 2jzi h GLU 45 N 3.40 -0.01 -0.15 4.92 4.39 -1.99 -0.66 114.58 124.48 2jzi h GLU 45 Ca -0.48 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.14 2jzi h GLU 45 Cb 1.19 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 2jzi h GLU 45 CO 0.46 -0.00 -0.27 0.00 -1.16 0.00 0.00 179.01 178.04 2jzi h ALA 46 N 1.16 1.27 0.34 3.43 0.00 -1.98 -1.87 119.26 121.61 2jzi h ALA 46 Ca 0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2jzi h ALA 46 Cb 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2jzi h ALA 46 CO -0.17 0.49 -0.17 0.93 0.00 0.00 0.00 179.25 180.33 2jzi h GLU 47 N 0.25 -0.45 -0.47 0.00 4.39 -1.81 0.15 114.58 116.64 2jzi h GLU 47 Ca 0.04 0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 2jzi h GLU 47 Cb 0.61 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.34 2jzi h GLU 47 CO 0.04 -0.15 0.24 1.37 -1.16 0.00 0.00 179.01 179.35 2jzi h LEU 48 N -0.73 0.60 -0.19 1.33 -0.00 -1.12 -1.79 115.31 113.42 2jzi h LEU 48 Ca -0.05 -0.11 0.02 0.00 -0.00 0.00 0.00 57.88 57.74 2jzi h LEU 48 Cb 0.50 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 40.98 2jzi h LEU 48 CO 0.08 0.55 0.04 -0.61 -0.00 0.00 0.00 178.44 178.50 2jzi h GLN 49 N 0.61 0.12 -0.50 0.17 4.15 -1.33 0.87 115.11 119.21 2jzi h GLN 49 Ca 0.16 -0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.66 2jzi h GLN 49 Cb 0.09 -0.03 -0.07 0.00 0.21 0.00 0.00 27.48 27.69 2jzi h GLN 49 CO -0.02 0.08 0.09 0.22 -1.93 0.00 0.00 178.83 177.26 2jzi h ASP 50 N 0.12 -0.03 0.69 -0.69 1.82 -0.44 -1.43 116.42 116.47 2jzi h ASP 50 Ca 0.08 0.09 -0.16 0.00 -0.39 0.00 0.00 57.03 56.66 2jzi h ASP 50 Cb 0.07 0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.20 2jzi h ASP 50 CO -0.10 0.01 -0.75 0.24 -1.61 0.00 0.00 179.24 177.03 2jzi h MET 51 N 0.22 0.04 -0.82 0.28 2.86 -0.87 -3.24 114.93 113.41 2jzi h MET 51 Ca 0.25 -0.04 0.16 0.00 -2.06 0.00 0.00 59.70 58.01 2jzi h MET 51 Cb 0.34 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.95 2jzi h MET 51 CO -0.34 0.77 0.54 0.82 1.06 0.00 0.00 176.91 179.76 2jzi h ILE 52 N 0.03 0.78 -1.30 -1.22 2.04 0.19 -1.25 117.51 116.78 2jzi h ILE 52 Ca -0.01 -0.16 0.38 0.00 1.00 0.00 0.00 64.86 66.06 2jzi h ILE 52 Cb 1.32 0.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.61 2jzi h ILE 52 CO 0.10 0.09 1.03 -1.13 0.00 0.00 0.00 178.15 178.24 2jzi h ASN 53 N 0.47 0.00 0.21 1.72 -0.73 -1.53 1.00 115.58 116.72 2jzi h ASN 53 Ca 0.41 0.00 -0.30 0.00 1.87 0.00 0.00 56.30 58.28 2jzi h ASN 53 Cb 0.89 0.00 0.03 0.00 0.27 0.00 0.00 38.32 39.51 2jzi h ASN 53 CO -0.15 0.00 -1.25 -0.33 -0.37 0.00 0.00 177.43 175.33 2jzi h GLU 54 N 0.00 0.57 0.00 6.67 3.07 -1.48 -3.21 114.58 120.20 2jzi h GLU 54 Ca 0.62 -0.78 0.00 0.00 -0.50 0.00 0.00 59.36 58.69 2jzi h GLU 54 Cb 2.67 0.26 0.00 0.00 -0.84 0.00 0.00 28.75 30.85 2jzi h GLU 54 CO -0.01 1.35 -0.01 1.33 -1.40 0.00 0.00 179.01 180.27 2jzi n VAL 55 N -3.75 0.13 -4.04 3.13 0.24 0.31 -4.82 118.33 109.53 2jzi n VAL 55 Ca -0.13 -0.06 -0.25 0.00 -2.04 0.00 0.00 64.34 61.85 2jzi n VAL 55 Cb 0.99 -0.50 -0.04 0.00 -1.47 0.00 0.00 33.84 32.82 2jzi n VAL 55 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2jzi s ASP 56 N -3.33 5.81 0.07 -1.34 2.15 0.87 -4.56 116.67 116.34 2jzi s ASP 56 Ca 0.13 -0.04 0.10 0.00 0.43 0.00 0.00 52.55 53.18 2jzi s ASP 56 Cb 0.18 -1.60 -0.19 0.00 -0.30 0.00 0.00 42.92 41.00 2jzi s ASP 56 CO 0.55 0.04 1.02 0.00 -0.17 0.00 0.00 175.17 176.62 2jzi h ALA 57 N 2.16 0.56 -0.00 3.66 0.00 -1.84 -3.36 119.26 120.45 2jzi h ALA 57 Ca -0.48 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 53.34 2jzi h ALA 57 Cb 1.20 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2jzi h ALA 57 CO 0.64 1.31 -0.17 -0.40 0.00 0.00 0.00 179.25 180.64 2jzi n ASP 58 N -3.19 0.22 -3.24 0.00 5.68 -1.26 -5.05 116.55 109.72 2jzi n ASP 58 Ca -0.07 -0.61 -0.11 0.00 -0.50 0.00 0.00 54.79 53.49 2jzi n ASP 58 Cb 0.96 0.96 0.04 0.00 -1.14 0.00 0.00 41.12 41.94 2jzi n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jzi n GLY 59 N 1.05 -1.18 0.72 6.12 0.00 -1.26 -4.94 105.19 105.70 2jzi n GLY 59 Ca 0.01 0.54 0.08 0.00 0.00 0.00 0.00 46.02 46.64 2jzi n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jzi n ASN 60 N -2.66 3.47 0.00 1.61 6.94 -1.26 -4.82 115.26 118.54 2jzi n ASN 60 Ca -0.05 -2.80 0.00 0.00 -0.02 0.00 0.00 54.58 51.70 2jzi n ASN 60 Cb 0.58 -0.45 0.00 0.00 -2.36 0.00 0.00 39.78 37.54 2jzi n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2jzi n GLY 61 N -0.43 0.60 3.48 4.83 0.00 -1.26 -5.00 105.19 107.41 2jzi n GLY 61 Ca 0.18 -0.70 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 2jzi n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jzi s THR 62 N -2.00 0.00 -0.07 2.61 -4.23 -1.26 -2.24 115.64 108.45 2jzi s THR 62 Ca 0.00 -1.61 0.03 0.00 -1.18 0.00 0.00 61.69 58.93 2jzi s THR 62 Cb 0.00 -2.56 -0.02 0.00 1.34 0.00 0.00 72.50 71.26 2jzi s THR 62 CO 0.00 0.00 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.29 2jzi s ILE 63 N -3.30 2.90 0.65 2.99 1.01 -1.15 -4.18 121.20 120.12 2jzi s ILE 63 Ca 0.30 -0.76 -0.04 0.00 0.00 0.00 0.00 60.65 60.15 2jzi s ILE 63 Cb 0.00 -2.15 0.14 0.00 0.01 0.00 0.00 42.46 40.46 2jzi s ILE 63 CO 0.18 0.57 0.89 0.47 0.00 0.00 0.00 174.94 177.05 2jzi n ASP 64 N 2.74 0.77 0.18 3.58 8.00 -1.26 -4.04 116.55 126.51 2jzi n ASP 64 Ca -0.17 -1.75 -0.13 0.00 0.71 0.00 0.00 54.79 53.45 2jzi n ASP 64 Cb 0.52 -0.62 -0.07 0.00 -0.02 0.00 0.00 41.12 40.93 2jzi n ASP 64 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2jzi h PHE 65 N -0.91 -0.45 -0.29 1.24 -1.00 -2.00 -0.94 116.94 112.59 2jzi h PHE 65 Ca -0.29 -0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.41 2jzi h PHE 65 Cb 0.98 0.15 -0.02 0.00 3.61 0.00 0.00 35.95 40.67 2jzi h PHE 65 CO 0.00 -0.12 -0.12 -1.00 -1.61 0.00 0.00 178.31 175.46 2jzi h PRO 66 N -0.88 0.49 0.20 1.51 0.13 -1.98 -1.61 132.00 129.86 2jzi h PRO 66 Ca -0.05 -0.14 -0.01 0.00 -0.87 0.00 0.00 66.00 64.93 2jzi h PRO 66 Cb 0.54 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.61 2jzi h PRO 66 CO 0.08 0.61 -0.10 0.93 -0.23 0.00 0.00 178.00 179.29 2jzi h GLU 67 N 0.46 -0.26 0.46 0.86 4.39 -1.88 0.12 114.58 118.72 2jzi h GLU 67 Ca 0.09 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 2jzi h GLU 67 Cb 0.48 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 2jzi h GLU 67 CO 0.03 -0.03 -0.36 0.35 -1.16 0.00 0.00 179.01 177.84 2jzi h PHE 68 N -0.46 -0.97 -0.45 4.33 3.04 -1.00 0.34 116.94 121.76 2jzi h PHE 68 Ca -0.03 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 61.97 2jzi h PHE 68 Cb 0.35 0.37 -0.04 0.00 2.56 0.00 0.00 35.95 39.18 2jzi h PHE 68 CO -0.01 -0.53 0.20 -0.07 -2.02 0.00 0.00 178.31 175.88 2jzi h LEU 69 N -0.81 0.26 -1.72 0.59 3.38 -1.33 -0.29 115.31 115.39 2jzi h LEU 69 Ca -0.05 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2jzi h LEU 69 Cb 0.70 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2jzi h LEU 69 CO -0.01 0.19 0.04 0.74 0.09 0.00 0.00 178.44 179.49 2jzi h THR 70 N 0.40 1.08 0.82 0.22 2.02 -0.53 0.17 112.91 117.09 2jzi h THR 70 Ca 0.20 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 67.06 2jzi h THR 70 Cb 0.15 0.93 0.01 0.00 -1.74 0.00 0.00 68.15 67.50 2jzi h THR 70 CO -0.17 0.10 -0.39 -0.03 0.37 0.00 0.00 175.52 175.39 2jzi h MET 71 N 0.22 -1.06 0.00 6.66 -1.53 0.14 -2.90 114.93 116.46 2jzi h MET 71 Ca 0.05 0.07 -0.06 0.00 -3.44 0.00 0.00 59.70 56.32 2jzi h MET 71 Cb 0.09 0.24 -0.01 0.00 -0.55 0.00 0.00 31.60 31.37 2jzi h MET 71 CO -0.00 -0.71 -0.30 0.52 0.14 0.00 0.00 176.91 176.57 2jzi h MET 72 N -1.12 0.00 0.00 0.39 2.86 -1.27 -2.50 114.93 113.29 2jzi h MET 72 Ca -0.11 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 2jzi h MET 72 Cb 0.84 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.50 2jzi h MET 72 CO 0.18 0.30 -0.00 0.00 1.06 0.00 0.00 176.91 178.45 2jzi h ALA 73 N 1.70 1.01 -1.58 6.32 0.00 -0.52 -3.43 119.26 122.78 2jzi h ALA 73 Ca -0.00 -0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.27 2jzi h ALA 73 Cb 0.60 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2jzi h ALA 73 CO 0.04 0.00 1.32 0.54 0.00 0.00 0.00 179.25 181.14 2jzi n ARG 74 N -3.10 1.59 0.24 0.00 1.74 -0.94 -4.59 116.66 111.60 2jzi n ARG 74 Ca -0.03 0.50 0.13 0.00 -0.77 0.00 0.00 57.85 57.68 2jzi n ARG 74 Cb 0.08 -2.66 0.44 0.00 -1.02 0.00 0.00 32.46 29.29 2jzi n ARG 74 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2jzi h LYS 75 N 11.78 0.00 0.00 5.56 1.63 -1.91 -3.04 116.57 130.59 2jzi h LYS 75 Ca -0.37 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.42 2jzi h LYS 75 Cb 1.29 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.92 2jzi h LYS 75 CO 0.98 0.11 -0.03 1.98 -3.45 0.00 0.00 179.45 179.04 2jzi h MET 76 N 0.00 0.00 -2.83 1.90 4.05 -1.96 -3.15 114.93 112.94 2jzi h MET 76 Ca -0.00 0.00 -0.66 0.00 -0.28 0.00 0.00 59.70 58.76 2jzi h MET 76 Cb 0.77 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.55 2jzi h MET 76 CO 0.01 0.03 3.20 1.63 0.23 0.00 0.00 176.91 182.02 2jzi n LYS 77 N -4.34 3.81 -0.94 0.39 4.76 -1.15 -4.93 118.16 115.76 2jzi n LYS 77 Ca -0.03 -2.44 -0.14 0.00 -2.87 0.00 0.00 58.31 52.83 2jzi n LYS 77 Cb 0.12 -2.70 0.09 0.00 -1.84 0.00 0.00 35.03 30.70 2jzi n LYS 77 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2jzi n ASP 78 N 3.01 0.09 -0.62 4.39 8.00 -1.19 -4.94 116.55 125.29 2jzi n ASP 78 Ca 0.72 -1.25 0.00 0.00 0.71 0.00 0.00 54.79 54.97 2jzi n ASP 78 Cb 0.28 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 2jzi n ASP 78 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2jzi n THR 79 N -2.80 0.00 -3.30 -3.53 -1.04 -1.26 -4.94 114.28 97.41 2jzi n THR 79 Ca 0.08 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.91 2jzi n THR 79 Cb 0.27 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 68.84 2jzi n THR 79 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2jzi n ASP 80 N -2.20 -4.89 0.03 8.00 8.00 -1.26 -4.94 116.55 119.29 2jzi n ASP 80 Ca 0.00 -0.42 -0.13 0.00 0.71 0.00 0.00 54.79 54.95 2jzi n ASP 80 Cb 0.00 -3.96 -0.09 0.00 -0.02 0.00 0.00 41.12 37.05 2jzi n ASP 80 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2jzi h SER 81 N -1.98 -0.08 1.07 -2.24 0.02 -2.00 -3.27 113.55 105.07 2jzi h SER 81 Ca -0.43 -0.39 -0.19 0.00 -0.84 0.00 0.00 61.79 59.93 2jzi h SER 81 Cb 1.28 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.81 2jzi h SER 81 CO 0.42 0.37 -0.94 -0.33 -1.14 0.00 0.00 176.83 175.20 2jzi h GLU 82 N -0.55 0.00 -0.97 3.45 3.07 -2.02 -3.29 114.58 114.28 2jzi h GLU 82 Ca -0.01 0.00 0.27 0.00 -0.50 0.00 0.00 59.36 59.12 2jzi h GLU 82 Cb 0.47 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.34 2jzi h GLU 82 CO 0.02 0.87 0.69 0.93 -1.40 0.00 0.00 179.01 180.12 2jzi h GLU 83 N 0.00 0.05 0.00 2.33 4.39 -1.96 0.69 114.58 120.08 2jzi h GLU 83 Ca -0.02 -0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.56 2jzi h GLU 83 Cb 1.70 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.33 2jzi h GLU 83 CO 0.11 0.03 -0.52 0.93 -1.16 0.00 0.00 179.01 178.40 2jzi h GLU 84 N 0.05 0.00 0.02 2.33 5.08 -1.62 -0.29 114.58 120.14 2jzi h GLU 84 Ca 0.47 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.80 2jzi h GLU 84 Cb 1.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.04 2jzi h GLU 84 CO -0.03 0.52 -0.13 0.82 -1.00 0.00 0.00 179.01 179.19 2jzi h ILE 85 N 0.00 1.72 -0.07 3.13 2.04 0.17 -3.25 117.51 121.25 2jzi h ILE 85 Ca -0.01 -2.27 -0.10 0.00 1.00 0.00 0.00 64.86 63.48 2jzi h ILE 85 Cb 0.96 3.25 0.00 0.00 -0.74 0.00 0.00 36.82 40.29 2jzi h ILE 85 CO 0.07 0.60 -0.36 0.03 0.00 0.00 0.00 178.15 178.49 2jzi h ARG 86 N -0.84 0.37 -0.38 2.37 -0.00 -1.39 -3.09 114.38 111.40 2jzi h ARG 86 Ca -0.02 -0.30 0.11 0.00 -0.50 0.00 0.00 59.98 59.27 2jzi h ARG 86 Cb 1.06 0.06 -0.02 0.00 0.00 0.00 0.00 29.97 31.07 2jzi h ARG 86 CO 0.02 0.94 0.40 1.49 0.00 0.00 0.00 179.97 182.83 2jzi h GLU 87 N -0.12 0.00 0.05 0.04 4.57 -1.22 0.41 114.58 118.31 2jzi h GLU 87 Ca -0.02 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 57.93 2jzi h GLU 87 Cb 1.01 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.59 2jzi h GLU 87 CO 0.07 0.00 -1.03 0.00 -1.18 0.00 0.00 179.01 176.88 2jzi h ALA 88 N 1.56 0.33 0.11 2.92 0.00 -1.57 -3.08 119.26 119.52 2jzi h ALA 88 Ca 0.18 -0.81 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 2jzi h ALA 88 Cb 0.98 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2jzi h ALA 88 CO -0.00 0.98 -0.05 0.35 0.00 0.00 0.00 179.25 180.52 2jzi h PHE 89 N 0.09 -0.13 -0.67 0.00 3.57 -0.15 0.62 116.94 120.27 2jzi h PHE 89 Ca -0.07 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.58 2jzi h PHE 89 Cb 1.71 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 40.46 2jzi h PHE 89 CO 0.04 0.29 0.46 0.07 -2.23 0.00 0.00 178.31 176.94 2jzi h ARG 90 N -0.61 0.22 0.00 1.11 0.11 -1.42 0.24 114.38 114.03 2jzi h ARG 90 Ca -0.01 -0.01 -0.08 0.00 0.10 0.00 0.00 59.98 59.97 2jzi h ARG 90 Cb 0.49 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.50 2jzi h ARG 90 CO 0.02 0.14 -1.09 0.28 0.10 0.00 0.00 179.97 179.42 2jzi h VAL 91 N 0.23 0.28 -0.87 0.08 2.07 -1.44 -3.35 116.25 113.24 2jzi h VAL 91 Ca 0.32 -1.52 0.17 0.00 0.82 0.00 0.00 66.70 66.49 2jzi h VAL 91 Cb 0.96 1.83 -0.07 0.00 -1.52 0.00 0.00 31.29 32.48 2jzi h VAL 91 CO -0.07 0.16 0.57 0.15 0.02 0.00 0.00 177.57 178.40 2jzi h PHE 92 N 0.00 0.68 -2.95 1.57 3.57 0.38 -3.40 116.94 116.78 2jzi h PHE 92 Ca -0.07 0.02 -0.63 0.00 3.53 0.00 0.00 57.97 60.82 2jzi h PHE 92 Cb 1.29 -0.21 -0.06 0.00 2.79 0.00 0.00 35.95 39.76 2jzi h PHE 92 CO 0.00 0.22 -0.52 0.34 -2.23 0.00 0.00 178.31 176.12 2jzi s ASP 93 N -5.75 6.16 0.19 0.41 -1.08 -1.17 -4.76 116.67 110.68 2jzi s ASP 93 Ca -0.09 0.23 -0.05 0.00 -0.52 0.00 0.00 52.55 52.12 2jzi s ASP 93 Cb 0.22 -1.86 0.12 0.00 -1.46 0.00 0.00 42.92 39.94 2jzi s ASP 93 CO 0.78 0.21 1.56 0.11 0.52 0.00 0.00 175.17 178.35 2jzi h LYS 94 N 3.42 0.74 -0.00 4.34 1.57 -1.88 -3.29 116.57 121.47 2jzi h LYS 94 Ca -0.47 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 57.95 2jzi h LYS 94 Cb 1.17 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2jzi h LYS 94 CO 0.71 0.98 -0.38 -0.40 -0.57 0.00 0.00 179.45 179.79 2jzi n ASP 95 N -4.06 0.42 0.00 0.86 5.68 -1.26 -5.01 116.55 113.19 2jzi n ASP 95 Ca -0.01 -0.71 0.00 0.00 -0.50 0.00 0.00 54.79 53.56 2jzi n ASP 95 Cb 0.51 0.98 0.00 0.00 -1.14 0.00 0.00 41.12 41.46 2jzi n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jzi n GLY 96 N 1.18 0.65 0.11 6.12 0.00 -1.24 -4.93 105.19 107.08 2jzi n GLY 96 Ca 0.02 -0.74 0.11 0.00 0.00 0.00 0.00 46.02 45.40 2jzi n GLY 96 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jzi n ASN 97 N 1.64 0.53 0.00 1.61 5.03 -1.26 -4.83 115.26 117.98 2jzi n ASN 97 Ca 0.00 0.66 0.00 0.00 0.87 0.00 0.00 54.58 56.11 2jzi n ASN 97 Cb 0.39 -0.76 0.00 0.00 -1.02 0.00 0.00 39.78 38.39 2jzi n ASN 97 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jzi n GLY 98 N -0.34 1.09 3.21 7.41 0.00 -1.26 -5.06 105.19 110.24 2jzi n GLY 98 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 2jzi n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jzi s TYR 99 N -2.24 1.55 -0.26 1.61 2.02 -1.26 -3.55 117.35 115.22 2jzi s TYR 99 Ca 0.00 -0.37 0.03 0.00 -0.37 0.00 0.00 57.07 56.35 2jzi s TYR 99 Cb 0.00 -0.91 0.06 0.00 -0.40 0.00 0.00 41.96 40.71 2jzi s TYR 99 CO 0.00 0.08 -0.10 0.96 -1.57 0.00 0.00 175.55 174.92 2jzi s ILE 100 N -0.87 2.04 0.95 2.71 -4.36 -1.25 -4.72 121.20 115.70 2jzi s ILE 100 Ca 0.05 -1.56 -0.15 0.00 -0.26 0.00 0.00 60.65 58.73 2jzi s ILE 100 Cb -0.09 -2.19 0.20 0.00 1.25 0.00 0.00 42.46 41.64 2jzi s ILE 100 CO 0.02 -0.05 1.30 -0.44 0.24 0.00 0.00 174.94 176.01 2jzi s SER 101 N 1.16 3.17 0.43 4.36 0.01 -1.26 -4.24 113.70 117.32 2jzi s SER 101 Ca -0.08 0.19 0.15 0.00 1.31 0.00 0.00 55.95 57.52 2jzi s SER 101 Cb -0.20 -0.24 0.95 0.00 0.21 0.00 0.00 66.02 66.74 2jzi s SER 101 CO -0.05 -2.69 1.95 0.00 0.41 0.00 0.00 173.24 172.85 2jzi h ALA 102 N -1.57 1.58 0.75 1.44 0.00 -1.88 0.44 119.26 120.01 2jzi h ALA 102 Ca -0.44 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.23 2jzi h ALA 102 Cb 1.23 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.99 2jzi h ALA 102 CO 0.37 0.29 -0.36 0.00 0.00 0.00 0.00 179.25 179.55 2jzi h ALA 103 N 1.77 -1.01 0.04 0.00 0.00 -1.98 -1.30 119.26 116.79 2jzi h ALA 103 Ca -0.00 -0.23 -0.28 0.00 0.00 0.00 0.00 54.91 54.41 2jzi h ALA 103 Cb 0.42 0.39 0.02 0.00 0.00 0.00 0.00 17.79 18.62 2jzi h ALA 103 CO 0.03 -1.03 -1.10 0.93 0.00 0.00 0.00 179.25 178.07 2jzi h GLU 104 N -1.07 0.66 -0.91 0.00 4.39 -1.91 -3.16 114.58 112.58 2jzi h GLU 104 Ca -0.10 -0.76 0.10 0.00 0.34 0.00 0.00 59.36 58.93 2jzi h GLU 104 Cb 0.78 0.23 -0.08 0.00 -0.10 0.00 0.00 28.75 29.59 2jzi h GLU 104 CO 0.17 1.33 0.55 1.25 -1.16 0.00 0.00 179.01 181.15 2jzi h LEU 105 N 0.35 0.82 -0.03 1.33 6.46 -0.17 0.12 115.31 124.19 2jzi h LEU 105 Ca -0.14 0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.65 2jzi h LEU 105 Cb 1.76 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 41.57 2jzi h LEU 105 CO 0.21 0.47 0.00 -0.09 -0.62 0.00 0.00 178.44 178.42 2jzi h ARG 106 N 0.92 0.06 -0.91 1.25 2.43 -1.29 0.76 114.38 117.60 2jzi h ARG 106 Ca 0.43 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 2jzi h ARG 106 Cb 0.36 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.86 2jzi h ARG 106 CO -0.24 0.30 0.58 0.45 -1.51 0.00 0.00 179.97 179.55 2jzi h HIS 107 N -0.20 1.18 -0.13 2.20 3.86 -1.40 0.87 115.15 121.52 2jzi h HIS 107 Ca 0.01 0.01 -0.17 0.00 -1.16 0.00 0.00 60.37 59.06 2jzi h HIS 107 Cb 0.27 -0.39 0.01 0.00 1.06 0.00 0.00 27.41 28.36 2jzi h HIS 107 CO 0.02 0.76 -0.59 0.28 0.86 0.00 0.00 177.93 179.26 2jzi h VAL 108 N 1.25 1.33 0.13 2.45 2.07 -0.62 -2.59 116.25 120.27 2jzi h VAL 108 Ca 0.33 -1.86 -0.01 0.00 0.82 0.00 0.00 66.70 65.99 2jzi h VAL 108 Cb -0.10 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2jzi h VAL 108 CO -0.07 0.57 -0.06 0.24 0.02 0.00 0.00 177.57 178.27 2jzi h MET 109 N 0.30 -0.17 -0.70 1.57 2.07 0.91 -3.07 114.93 115.84 2jzi h MET 109 Ca -0.04 0.01 0.08 0.00 -2.07 0.00 0.00 59.70 57.69 2jzi h MET 109 Cb 1.23 0.04 -0.07 0.00 -1.87 0.00 0.00 31.60 30.93 2jzi h MET 109 CO 0.12 0.29 0.37 1.15 1.07 0.00 0.00 176.91 179.91 2jzi h THR 110 N -0.88 0.89 -0.14 2.22 2.02 0.66 1.06 112.91 118.74 2jzi h THR 110 Ca -0.02 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 2jzi h THR 110 Cb 0.53 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 2jzi h THR 110 CO 0.03 0.12 0.06 0.78 0.37 0.00 0.00 175.52 176.88 2jzi h ASN 111 N 0.64 0.16 -0.51 4.18 -0.26 -1.57 -2.61 115.58 115.62 2jzi h ASN 111 Ca 0.33 -0.01 -0.37 0.00 -0.56 0.00 0.00 56.30 55.69 2jzi h ASN 111 Cb 0.30 -0.04 -0.32 0.00 -1.06 0.00 0.00 38.32 37.20 2jzi h ASN 111 CO -0.24 0.15 -0.78 0.18 -1.06 0.00 0.00 177.43 175.67 2jzi n LEU 112 N -4.49 3.89 0.00 1.61 4.32 -0.23 -4.64 117.00 117.47 2jzi n LEU 112 Ca -0.01 -4.26 0.00 0.00 -0.02 0.00 0.00 56.01 51.72 2jzi n LEU 112 Cb 0.10 -0.29 0.00 0.00 -1.62 0.00 0.00 43.42 41.62 2jzi n LEU 112 CO 0.35 1.77 0.00 0.61 -1.22 0.00 0.00 177.39 178.89 2jzi n GLY 113 N -0.75 1.06 3.42 -0.72 0.00 0.35 -4.92 105.19 103.63 2jzi n GLY 113 Ca 0.33 0.40 -0.23 0.00 0.00 0.00 0.00 46.02 46.52 2jzi n GLY 113 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2jzi s GLU 114 N 2.74 1.83 -0.78 1.61 -1.05 -1.25 -4.89 118.70 116.90 2jzi s GLU 114 Ca 0.00 -2.09 -0.26 0.00 -0.15 0.00 0.00 54.97 52.47 2jzi s GLU 114 Cb 0.00 -0.26 0.02 0.00 -0.44 0.00 0.00 34.13 33.46 2jzi s GLU 114 CO 0.00 -0.53 1.41 0.21 0.95 0.00 0.00 175.26 177.31 2jzi s LYS 115 N -3.65 3.17 -0.35 -4.83 2.47 -1.26 -3.79 119.74 111.49 2jzi s LYS 115 Ca 0.30 -0.30 -0.21 0.00 -1.56 0.00 0.00 55.97 54.20 2jzi s LYS 115 Cb 0.03 -4.47 0.00 0.00 -1.46 0.00 0.00 37.83 31.93 2jzi s LYS 115 CO 0.19 -2.29 0.68 -0.48 0.16 0.00 0.00 175.35 173.61 2jzi s LEU 116 N 6.20 4.21 1.09 5.43 2.34 -1.26 -5.03 118.68 131.66 2jzi s LEU 116 Ca 0.43 0.23 -0.16 0.00 0.06 0.00 0.00 54.13 54.68 2jzi s LEU 116 Cb -0.07 -2.85 0.24 0.00 -0.56 0.00 0.00 46.19 42.94 2jzi s LEU 116 CO 0.10 -0.62 1.14 -0.89 -1.06 0.00 0.00 176.35 175.02 2jzi s THR 117 N 2.80 1.79 0.42 5.48 2.01 -1.26 -4.35 115.64 122.53 2jzi s THR 117 Ca 0.26 0.00 0.21 0.00 0.31 0.00 0.00 61.69 62.48 2jzi s THR 117 Cb -0.14 -2.59 0.42 0.00 0.01 0.00 0.00 72.50 70.20 2jzi s THR 117 CO 0.15 0.00 1.76 0.44 -0.69 0.00 0.00 174.62 176.28 2jzi h ASP 118 N -2.18 0.38 0.38 3.53 3.32 -1.98 0.81 116.42 120.68 2jzi h ASP 118 Ca -0.48 0.08 -0.25 0.00 0.02 0.00 0.00 57.03 56.40 2jzi h ASP 118 Cb 1.30 0.03 0.01 0.00 0.22 0.00 0.00 39.33 40.88 2jzi h ASP 118 CO 0.44 0.04 -1.07 -0.08 -1.72 0.00 0.00 179.24 176.85 2jzi h GLU 119 N 0.32 0.41 -0.12 3.56 4.81 -1.98 -0.95 114.58 120.62 2jzi h GLU 119 Ca 0.62 -0.51 -0.14 0.00 -0.13 0.00 0.00 59.36 59.19 2jzi h GLU 119 Cb 1.71 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 31.24 2jzi h GLU 119 CO -0.29 1.18 -0.54 0.93 -0.73 0.00 0.00 179.01 179.56 2jzi h GLU 120 N 0.19 0.35 0.03 1.92 4.39 -0.32 0.20 114.58 121.34 2jzi h GLU 120 Ca -0.11 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.37 2jzi h GLU 120 Cb 1.74 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.41 2jzi h GLU 120 CO 0.19 0.80 -0.01 0.28 -1.16 0.00 0.00 179.01 179.11 2jzi h VAL 121 N 0.27 1.42 0.22 3.13 2.07 0.31 -2.38 116.25 121.29 2jzi h VAL 121 Ca 0.00 -1.55 -0.00 0.00 0.82 0.00 0.00 66.70 65.97 2jzi h VAL 121 Cb 1.04 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 33.23 2jzi h VAL 121 CO 0.09 0.39 -0.15 0.44 0.02 0.00 0.00 177.57 178.36 2jzi h ASP 122 N -0.73 -0.38 -0.18 0.57 3.32 -1.17 -0.23 116.42 117.61 2jzi h ASP 122 Ca -0.00 0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.13 2jzi h ASP 122 Cb 0.66 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 2jzi h ASP 122 CO 0.01 -0.24 0.15 1.05 -1.72 0.00 0.00 179.24 178.48 2jzi h GLU 123 N -0.37 0.00 0.01 3.56 -0.00 -0.71 0.20 114.58 117.28 2jzi h GLU 123 Ca -0.02 0.00 -0.25 0.00 -0.00 0.00 0.00 59.36 59.09 2jzi h GLU 123 Cb 0.32 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.08 2jzi h GLU 123 CO 0.01 0.00 -1.01 1.98 -0.00 0.00 0.00 179.01 179.98 2jzi h MET 124 N 0.00 0.53 -0.38 1.06 4.05 -0.79 -2.22 114.93 117.19 2jzi h MET 124 Ca 0.09 -0.59 -0.16 0.00 -0.28 0.00 0.00 59.70 58.76 2jzi h MET 124 Cb 0.38 0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.35 2jzi h MET 124 CO -0.00 1.21 -0.40 0.82 0.23 0.00 0.00 176.91 178.77 2jzi h ILE 125 N 0.29 1.27 -0.15 1.77 2.04 0.47 0.34 117.51 123.54 2jzi h ILE 125 Ca -0.11 -1.58 -0.14 0.00 1.00 0.00 0.00 64.86 64.03 2jzi h ILE 125 Cb 1.66 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 39.14 2jzi h ILE 125 CO 0.19 0.53 -0.51 0.03 0.00 0.00 0.00 178.15 178.39 2jzi h ARG 126 N 0.76 0.42 0.22 2.37 3.08 -1.08 -0.33 114.38 119.81 2jzi h ARG 126 Ca 0.06 -0.24 -0.34 0.00 0.07 0.00 0.00 59.98 59.52 2jzi h ARG 126 Cb 1.00 0.02 0.02 0.00 0.08 0.00 0.00 29.97 31.10 2jzi h ARG 126 CO 0.10 0.83 -1.63 1.05 -1.07 0.00 0.00 179.97 179.25 2jzi h GLU 127 N 0.33 0.46 -0.49 0.04 4.11 -1.35 -3.34 114.58 114.34 2jzi h GLU 127 Ca 0.01 -0.79 -0.09 0.00 0.07 0.00 0.00 59.36 58.57 2jzi h GLU 127 Cb 1.00 0.29 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 2jzi h GLU 127 CO 0.09 1.37 -0.04 0.00 0.07 0.00 0.00 179.01 180.51 2jzi h ALA 128 N 0.15 0.66 -2.59 1.06 0.00 -0.33 -3.43 119.26 114.77 2jzi h ALA 128 Ca -0.30 -0.30 -0.56 0.00 0.00 0.00 0.00 54.91 53.75 2jzi h ALA 128 Cb 2.13 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.71 2jzi h ALA 128 CO 0.22 0.50 -0.14 0.34 0.00 0.00 0.00 179.25 180.17 2jzi s ASP 129 N -6.42 6.70 -0.04 0.00 2.15 -0.14 -4.07 116.67 114.86 2jzi s ASP 129 Ca -0.12 0.94 -0.13 0.00 0.43 0.00 0.00 52.55 53.66 2jzi s ASP 129 Cb 0.12 -2.23 -0.32 0.00 -0.30 0.00 0.00 42.92 40.19 2jzi s ASP 129 CO 0.83 0.05 0.74 0.16 -0.17 0.00 0.00 175.17 176.77 2jzi h ILE 130 N 2.46 1.05 0.00 4.11 3.07 -1.84 -3.29 117.51 123.07 2jzi h ILE 130 Ca -0.48 -2.54 0.00 0.00 1.55 0.00 0.00 64.86 63.39 2jzi h ILE 130 Cb 1.18 2.84 0.00 0.00 -0.27 0.00 0.00 36.82 40.58 2jzi h ILE 130 CO 0.68 0.82 0.00 0.47 -1.05 0.00 0.00 178.15 179.07 2jzi n ASP 131 N -3.69 0.14 -3.09 2.16 9.92 -1.26 -4.83 116.55 115.91 2jzi n ASP 131 Ca -0.23 0.54 -0.14 0.00 -0.53 0.00 0.00 54.79 54.43 2jzi n ASP 131 Cb 1.05 -0.57 -0.02 0.00 -0.64 0.00 0.00 41.12 40.94 2jzi n ASP 131 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jzi n GLY 132 N -0.16 -0.47 0.01 0.44 0.00 -1.24 -4.73 105.19 99.04 2jzi n GLY 132 Ca 0.03 0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.18 2jzi n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jzi n ASP 133 N -1.84 0.69 0.00 1.61 5.75 -1.26 -4.96 116.55 116.53 2jzi n ASP 133 Ca 0.02 -0.51 0.00 0.00 -0.01 0.00 0.00 54.79 54.29 2jzi n ASP 133 Cb 0.50 0.90 0.00 0.00 -1.03 0.00 0.00 41.12 41.49 2jzi n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jzi n GLY 134 N 1.43 1.25 3.14 6.12 0.00 -1.26 -5.10 105.19 110.77 2jzi n GLY 134 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 2jzi n GLY 134 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2jzi s GLN 135 N -0.01 0.46 -0.24 1.61 -2.07 -1.26 -4.38 119.66 113.77 2jzi s GLN 135 Ca 0.00 -0.12 -0.01 0.00 -1.82 0.00 0.00 55.36 53.41 2jzi s GLN 135 Cb 0.00 0.20 0.07 0.00 -1.09 0.00 0.00 33.01 32.19 2jzi s GLN 135 CO 0.00 -0.11 0.02 0.08 -1.32 0.00 0.00 175.29 173.97 2jzi s VAL 136 N -0.89 0.98 0.95 3.63 1.01 -1.26 -4.65 120.40 120.17 2jzi s VAL 136 Ca -0.10 -1.03 -0.15 0.00 0.00 0.00 0.00 61.98 60.70 2jzi s VAL 136 Cb -0.05 -1.48 0.18 0.00 0.00 0.00 0.00 36.38 35.03 2jzi s VAL 136 CO 0.02 -0.30 1.25 0.21 0.00 0.00 0.00 175.10 176.27 2jzi s ASN 137 N 1.63 3.21 0.04 3.32 2.47 -1.23 -3.88 114.94 120.49 2jzi s ASN 137 Ca 0.00 0.49 -0.10 0.00 0.42 0.00 0.00 52.86 53.68 2jzi s ASN 137 Cb -0.18 -0.71 -0.03 0.00 -1.45 0.00 0.00 41.25 38.88 2jzi s ASN 137 CO -0.12 -2.69 1.16 0.22 -3.72 0.00 0.00 177.10 171.95 2jzi h TYR 138 N -1.61 -0.50 0.00 0.43 3.20 -1.96 -1.74 116.97 114.80 2jzi h TYR 138 Ca -0.45 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.41 2jzi h TYR 138 Cb 1.27 0.23 -0.00 0.00 1.54 0.00 0.00 36.73 39.77 2jzi h TYR 138 CO -0.80 -0.14 -0.14 0.93 -1.64 0.00 0.00 178.16 176.37 2jzi h GLU 139 N -0.12 0.00 -0.33 1.82 5.08 -1.98 -2.40 114.58 116.65 2jzi h GLU 139 Ca 0.02 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 2jzi h GLU 139 Cb 0.17 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 2jzi h GLU 139 CO -0.17 0.14 0.04 1.49 -1.00 0.00 0.00 179.01 179.51 2jzi h GLU 140 N 0.00 0.14 0.02 2.33 4.81 -1.66 -0.96 114.58 119.27 2jzi h GLU 140 Ca -0.00 -0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 59.01 2jzi h GLU 140 Cb 0.37 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 2jzi h GLU 140 CO 0.02 0.09 -1.00 0.27 -0.73 0.00 0.00 179.01 177.66 2jzi h PHE 141 N 0.15 0.13 -0.72 0.92 -5.15 -1.37 -3.28 116.94 107.62 2jzi h PHE 141 Ca 0.16 -0.09 0.12 0.00 -0.20 0.00 0.00 57.97 57.95 2jzi h PHE 141 Cb 0.19 -0.01 -0.08 0.00 0.22 0.00 0.00 35.95 36.27 2jzi h PHE 141 CO -0.20 1.02 0.32 0.28 -2.00 0.00 0.00 178.31 177.73 2jzi h VAL 142 N 0.03 0.75 -0.52 0.88 2.07 -0.85 0.96 116.25 119.57 2jzi h VAL 142 Ca -0.04 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2jzi h VAL 142 Cb 1.72 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 2jzi h VAL 142 CO 0.14 0.09 0.28 1.56 0.02 0.00 0.00 177.57 179.67 2jzi h GLN 143 N 0.51 0.71 -0.11 1.57 1.08 -1.26 -2.09 115.11 115.51 2jzi h GLN 143 Ca 0.38 -0.07 -0.18 0.00 -1.45 0.00 0.00 58.65 57.33 2jzi h GLN 143 Cb 0.49 -0.15 0.01 0.00 -0.05 0.00 0.00 27.48 27.79 2jzi h GLN 143 CO -0.34 0.52 -0.61 0.52 -0.95 0.00 0.00 178.83 177.97 2jzi h MET 144 N 0.72 0.62 -0.51 1.46 2.86 -0.55 -2.08 114.93 117.44 2jzi h MET 144 Ca 0.19 -0.51 0.10 0.00 -2.06 0.00 0.00 59.70 57.42 2jzi h MET 144 Cb 0.02 0.11 -0.09 0.00 0.06 0.00 0.00 31.60 31.70 2jzi h MET 144 CO -0.03 1.13 -0.01 1.98 1.06 0.00 0.00 176.91 181.04 2jzi h MET 145 N 0.26 0.10 -0.01 1.72 1.85 0.14 -0.88 114.93 118.11 2jzi h MET 145 Ca -0.04 -0.01 -0.16 0.00 -0.61 0.00 0.00 59.70 58.88 2jzi h MET 145 Cb 1.26 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 33.25 2jzi h MET 145 CO 0.13 0.07 -0.74 0.00 -0.40 0.00 0.00 176.91 175.97 2jzi h THR 146 N 0.11 1.49 -4.03 -0.77 1.03 -1.46 -3.45 112.91 105.82 2jzi h THR 146 Ca 0.26 -2.42 -0.55 0.00 -0.01 0.00 0.00 66.41 63.69 2jzi h THR 146 Cb 0.40 2.30 0.14 0.00 -1.07 0.00 0.00 68.15 69.92 2jzi h THR 146 CO -0.44 0.70 0.59 0.00 -0.01 0.00 0.00 175.52 176.36 2jzi n ALA 147 N -2.43 1.53 -1.77 0.00 0.00 -0.34 -5.12 120.51 112.37 2jzi n ALA 147 Ca -0.02 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2jzi n ALA 147 Cb 0.71 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.81 2jzi n ALA 147 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86