#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 -1.33 -3.99 0.00 8.00 -1.23 -4.99 116.55 113.00 2jzi n ASP 2 Ca 0.00 -0.29 -0.32 0.00 0.71 0.00 0.00 54.79 54.89 2jzi n ASP 2 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 40.98 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 -2.87 2.23 0.37 -1.24 0.74 -1.26 -5.04 119.66 112.59 2jzi s GLN 3 Ca 0.00 -2.68 0.04 0.00 0.05 0.00 0.00 55.36 52.78 2jzi s GLN 3 Cb 0.00 -3.47 -0.01 0.00 1.10 0.00 0.00 33.01 30.63 2jzi s GLN 3 CO 0.00 -1.15 0.53 -0.51 -0.55 0.00 0.00 175.29 173.62 2jzi s LEU 4 N -0.36 3.88 0.32 3.68 1.43 -1.26 -5.11 118.68 121.25 2jzi s LEU 4 Ca 0.18 -0.02 0.04 0.00 -1.03 0.00 0.00 54.13 53.30 2jzi s LEU 4 Cb -0.22 -2.89 -0.02 0.00 0.03 0.00 0.00 46.19 43.09 2jzi s LEU 4 CO -0.02 -0.51 0.47 0.42 0.23 0.00 0.00 176.35 176.93 2jzi s THR 5 N -2.29 4.66 0.20 5.49 -4.23 -1.26 -4.84 115.64 113.37 2jzi s THR 5 Ca 0.46 -0.85 -0.16 0.00 -1.18 0.00 0.00 61.69 59.96 2jzi s THR 5 Cb -0.10 -3.65 0.19 0.00 1.34 0.00 0.00 72.50 70.28 2jzi s THR 5 CO 0.33 -0.30 1.62 -0.08 -0.54 0.00 0.00 174.62 175.64 2jzi h GLU 6 N 0.91 -0.06 0.00 3.99 4.57 -1.99 1.02 114.58 123.01 2jzi h GLU 6 Ca -0.49 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.66 2jzi h GLU 6 Cb 1.24 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.84 2jzi h GLU 6 CO 0.58 -0.04 -0.17 0.93 -1.18 0.00 0.00 179.01 179.13 2jzi h GLU 7 N -0.07 0.00 0.05 1.92 4.39 -1.98 0.42 114.58 119.31 2jzi h GLU 7 Ca 0.27 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.97 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 -0.64 0.17 -0.02 1.96 -1.16 0.00 0.00 179.01 179.31 2jzi h GLN 8 N 0.00 -0.07 0.00 2.33 1.08 0.28 -3.29 115.11 115.44 2jzi h GLN 8 Ca -0.00 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.08 2jzi h GLN 8 Cb 0.34 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 2jzi h GLN 8 CO 0.02 0.50 -0.59 -0.84 -0.95 0.00 0.00 178.83 176.98 2jzi h ILE 9 N -0.70 1.31 -0.63 2.54 3.07 0.87 -2.89 117.51 121.07 2jzi h ILE 9 Ca -0.01 -2.09 0.18 0.00 1.55 0.00 0.00 64.86 64.50 2jzi h ILE 9 Cb 0.60 2.16 -0.03 0.00 -0.27 0.00 0.00 36.82 39.28 2jzi h ILE 9 CO 0.01 0.57 0.57 0.00 -1.05 0.00 0.00 178.15 178.25 2jzi h ALA 10 N 1.41 2.45 0.00 0.16 0.00 -0.23 1.67 119.26 124.72 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 1.12 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2jzi h ALA 10 CO 0.08 -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 -1.61 -2.88 114.58 115.20 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 -0.17 4.33 -1.00 0.23 -3.20 116.94 117.09 2jzi h PHE 12 Ca -0.01 -0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.82 2jzi h PHE 12 Cb 1.28 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 -1.22 1.28 116.57 119.24 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 -0.65 1.05 -2.00 0.00 0.00 179.45 177.86 2jzi h GLU 14 N 0.00 0.00 -0.12 0.07 4.11 -1.60 -1.80 114.58 115.24 2jzi h GLU 14 Ca 0.08 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.28 2jzi h GLU 14 Cb 0.68 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.95 2jzi h GLU 14 CO -0.00 0.65 -0.84 0.00 0.07 0.00 0.00 179.01 178.89 2jzi h ALA 15 N 1.35 0.27 0.14 1.06 0.00 0.16 0.46 119.26 122.70 2jzi h ALA 15 Ca -0.01 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.28 2jzi h ALA 15 Cb 1.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2jzi h ALA 15 CO 0.08 0.68 -0.10 0.74 0.00 0.00 0.00 179.25 180.65 2jzi h PHE 16 N 0.52 -0.27 0.00 0.00 0.04 -0.95 0.40 116.94 116.67 2jzi h PHE 16 Ca -0.07 -0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.63 2jzi h PHE 16 Cb 1.47 0.10 -0.01 0.00 2.20 0.00 0.00 35.95 39.71 2jzi h PHE 16 CO 0.09 -0.16 -0.34 0.77 -0.60 0.00 0.00 178.31 178.07 2jzi h SER 17 N -0.25 0.00 1.17 2.17 0.02 -1.35 -2.61 113.55 112.70 2jzi h SER 17 Ca -0.01 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 2jzi h SER 17 Cb 0.22 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 2jzi h SER 17 CO -0.00 0.34 -0.86 0.25 -1.14 0.00 0.00 176.83 175.42 2jzi h LEU 18 N 0.00 0.00 0.00 5.07 6.46 0.29 -3.25 115.31 123.89 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 0.98 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.91 2jzi h LEU 18 CO 0.04 0.69 -0.52 0.33 -0.62 0.00 0.00 178.44 178.37 2jzi n PHE 19 N -3.20 0.54 -3.39 1.25 7.35 0.14 -4.44 117.46 115.71 2jzi n PHE 19 Ca -0.01 0.16 -0.35 0.00 -0.76 0.00 0.00 57.45 56.48 2jzi n PHE 19 Cb 0.83 -0.65 -0.06 0.00 0.35 0.00 0.00 39.48 39.95 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 -4.12 6.79 0.05 -2.13 2.15 -0.99 -4.94 116.67 113.48 2jzi s ASP 20 Ca 0.07 1.03 -0.27 0.00 0.43 0.00 0.00 52.55 53.82 2jzi s ASP 20 Cb 0.14 -2.27 -0.17 0.00 -0.30 0.00 0.00 42.92 40.32 2jzi s ASP 20 CO 0.70 0.10 1.49 0.11 -0.17 0.00 0.00 175.17 177.39 2jzi h LYS 21 N 3.51 -0.37 -0.00 4.34 1.79 -1.86 -2.85 116.57 121.13 2jzi h LYS 21 Ca -0.49 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 2jzi h LYS 21 Cb 1.19 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 2jzi h LYS 21 CO 0.66 -0.14 -0.11 -0.40 -1.08 0.00 0.00 179.45 178.38 2jzi n ASP 22 N -5.19 0.25 -3.83 0.86 5.75 -1.26 -4.94 116.55 108.19 2jzi n ASP 22 Ca -0.10 -0.15 -0.25 0.00 -0.01 0.00 0.00 54.79 54.28 2jzi n ASP 22 Cb 0.22 -0.19 0.02 0.00 -1.03 0.00 0.00 41.12 40.14 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 1.37 -0.34 1.25 6.12 0.00 -1.08 -4.85 105.19 107.66 2jzi n GLY 23 Ca 0.11 0.15 0.05 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.97 3.60 0.00 1.61 5.68 -1.26 -4.84 116.55 118.38 2jzi n ASP 24 Ca -0.20 -2.47 0.00 0.00 -0.50 0.00 0.00 54.79 51.62 2jzi n ASP 24 Cb 0.63 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 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 0.75 3.26 6.12 0.00 -1.26 -4.99 105.19 109.55 2jzi n GLY 25 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.82 0.06 -0.10 2.61 -4.23 -1.26 -4.31 115.64 105.60 2jzi s THR 26 Ca 0.00 -0.53 -0.04 0.00 -1.18 0.00 0.00 61.69 59.93 2jzi s THR 26 Cb 0.00 -0.77 -0.04 0.00 1.34 0.00 0.00 72.50 73.04 2jzi s THR 26 CO 0.00 -0.29 0.08 -0.63 -0.54 0.00 0.00 174.62 173.24 2jzi s ILE 27 N -1.84 4.98 0.83 2.99 1.01 -1.26 -4.60 121.20 123.31 2jzi s ILE 27 Ca -0.10 -0.02 -0.09 0.00 0.00 0.00 0.00 60.65 60.44 2jzi s ILE 27 Cb -0.03 -3.15 0.15 0.00 0.01 0.00 0.00 42.46 39.43 2jzi s ILE 27 CO 0.01 0.59 1.16 0.28 0.00 0.00 0.00 174.94 176.98 2jzi s THR 28 N -0.99 2.09 0.16 2.92 -1.32 -1.26 -2.95 115.64 114.29 2jzi s THR 28 Ca 0.15 -0.24 -0.08 0.00 -1.21 0.00 0.00 61.69 60.32 2jzi s THR 28 Cb -0.12 -2.86 -0.05 0.00 -1.51 0.00 0.00 72.50 67.97 2jzi s THR 28 CO 0.04 0.00 1.49 0.71 -2.21 0.00 0.00 174.62 174.65 2jzi h THR 29 N -1.08 1.29 -0.92 5.08 1.35 -1.74 -1.25 112.91 115.64 2jzi h THR 29 Ca -0.42 -1.65 0.02 0.00 -0.55 0.00 0.00 66.41 63.81 2jzi h THR 29 Cb 1.26 1.55 -0.05 0.00 -1.73 0.00 0.00 68.15 69.18 2jzi h THR 29 CO 0.44 0.54 0.60 0.07 -0.25 0.00 0.00 175.52 176.92 2jzi h LYS 30 N 0.62 1.18 0.21 4.72 5.09 -1.93 1.08 116.57 127.53 2jzi h LYS 30 Ca 0.04 -0.07 -0.01 0.00 0.09 0.00 0.00 60.65 60.69 2jzi h LYS 30 Cb 1.03 -0.27 0.00 0.00 0.10 0.00 0.00 32.23 33.10 2jzi h LYS 30 CO 0.10 0.78 -0.10 0.93 -2.09 0.00 0.00 179.45 179.07 2jzi h GLU 31 N 1.21 -0.27 0.38 0.07 4.39 -1.90 0.47 114.58 118.94 2jzi h GLU 31 Ca 0.35 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.06 2jzi h GLU 31 Cb -0.09 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 2jzi h GLU 31 CO -0.09 0.11 -0.25 -0.07 -1.16 0.00 0.00 179.01 177.54 2jzi h LEU 32 N -0.73 -0.65 -0.48 1.33 3.38 -1.05 0.03 115.31 117.14 2jzi h LEU 32 Ca -0.03 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.02 2jzi h LEU 32 Cb 0.50 0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 2jzi h LEU 32 CO 0.05 -0.40 0.24 1.23 0.09 0.00 0.00 178.44 179.65 2jzi h GLY 33 N -0.62 0.66 1.89 0.83 0.00 0.11 -1.22 103.07 104.72 2jzi h GLY 33 Ca -0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 2jzi h GLY 33 CO 0.03 0.11 -0.04 -0.84 0.00 0.00 0.00 176.54 175.79 2jzi h THR 34 N 0.48 1.10 0.44 4.70 2.02 0.19 0.87 112.91 122.69 2jzi h THR 34 Ca 0.21 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 2jzi h THR 34 Cb 0.11 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 2jzi h THR 34 CO -0.15 0.13 -0.21 0.58 0.37 0.00 0.00 175.52 176.24 2jzi h VAL 35 N 0.14 0.37 -0.14 3.16 2.07 0.12 0.34 116.25 122.31 2jzi h VAL 35 Ca 0.03 -0.56 -0.17 0.00 0.82 0.00 0.00 66.70 66.83 2jzi h VAL 35 Cb 0.18 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2jzi h VAL 35 CO 0.01 0.07 -0.61 -0.03 0.02 0.00 0.00 177.57 177.03 2jzi h MET 36 N -0.99 0.48 -0.37 1.57 -1.53 -1.15 -1.57 114.93 111.37 2jzi h MET 36 Ca -0.06 -0.33 -0.10 0.00 -3.44 0.00 0.00 59.70 55.77 2jzi h MET 36 Cb 0.56 0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 31.65 2jzi h MET 36 CO 0.10 0.94 -0.15 -0.09 0.14 0.00 0.00 176.91 177.84 2jzi h ARG 37 N 0.36 0.76 0.00 0.39 1.12 0.69 -0.15 114.38 117.55 2jzi h ARG 37 Ca -0.01 -0.32 0.00 0.00 -1.11 0.00 0.00 59.98 58.54 2jzi h ARG 37 Cb 1.15 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 31.08 2jzi h ARG 37 CO 0.11 0.94 0.00 0.45 -3.11 0.00 0.00 179.97 178.36 2jzi n SER 38 N -4.31 0.00 -0.09 -3.80 2.88 0.11 -3.03 113.62 105.38 2jzi n SER 38 Ca -0.02 0.13 -0.15 0.00 -1.33 0.00 0.00 58.87 57.50 2jzi n SER 38 Cb 0.40 -0.37 -0.07 0.00 -0.75 0.00 0.00 64.21 63.41 2jzi n SER 38 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2jzi n LEU 39 N -1.37 1.85 -1.11 2.46 0.00 -0.59 -4.92 117.00 113.31 2jzi n LEU 39 Ca 0.11 0.50 -0.01 0.00 0.00 0.00 0.00 56.01 56.61 2jzi n LEU 39 Cb 0.27 -0.91 0.00 0.00 0.00 0.00 0.00 43.42 42.78 2jzi n LEU 39 CO 0.23 -0.03 0.18 0.61 0.00 0.00 0.00 177.39 178.39 2jzi n GLY 40 N 1.50 -0.38 2.95 -3.96 0.00 -0.34 -5.08 105.19 99.87 2jzi n GLY 40 Ca -0.23 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.58 2jzi n GLY 40 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2jzi n GLN 41 N -0.13 0.44 -2.73 1.61 -0.06 -0.21 -4.97 117.38 111.33 2jzi n GLN 41 Ca -0.04 -3.06 -0.08 0.00 -2.00 0.00 0.00 57.00 51.81 2jzi n GLN 41 Cb 0.44 2.23 0.10 0.00 -4.06 0.00 0.00 30.24 28.95 2jzi n GLN 41 CO 0.00 0.00 0.00 0.27 -0.20 0.00 0.00 177.06 177.13 2jzi n ASN 42 N -1.74 -2.13 -3.19 1.69 6.94 -1.26 -4.39 115.26 111.18 2jzi n ASN 42 Ca 0.03 -3.26 -0.18 0.00 -0.02 0.00 0.00 54.58 51.15 2jzi n ASN 42 Cb 0.55 1.57 0.13 0.00 -2.36 0.00 0.00 39.78 39.67 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 0.03 -0.78 -4.28 -0.53 -0.04 -1.26 -5.10 135.00 123.04 2jzi n PRO 43 Ca 0.03 -1.29 -0.28 0.00 -0.04 0.00 0.00 63.50 61.92 2jzi n PRO 43 Cb 0.75 -0.84 -0.10 0.00 -0.04 0.00 0.00 33.50 33.27 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 -2.78 3.13 0.12 0.52 2.01 -1.26 -5.03 115.64 112.36 2jzi s THR 44 Ca 0.47 -1.55 -0.20 0.00 0.31 0.00 0.00 61.69 60.72 2jzi s THR 44 Cb -0.01 -2.51 -0.05 0.00 0.01 0.00 0.00 72.50 69.94 2jzi s THR 44 CO 0.33 -0.02 1.72 -0.33 -0.69 0.00 0.00 174.62 175.63 2jzi h GLU 45 N 3.25 0.04 -0.19 4.92 4.39 -1.99 -0.75 114.58 124.26 2jzi h GLU 45 Ca -0.48 -0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.13 2jzi h GLU 45 Cb 1.19 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 2jzi h GLU 45 CO 0.52 0.02 -0.26 0.00 -1.16 0.00 0.00 179.01 178.13 2jzi h ALA 46 N 1.15 1.22 0.34 3.43 0.00 -1.98 -1.53 119.26 121.89 2jzi h ALA 46 Ca 0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2jzi h ALA 46 Cb 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2jzi h ALA 46 CO -0.15 0.51 -0.16 0.93 0.00 0.00 0.00 179.25 180.38 2jzi h GLU 47 N 0.31 -0.44 -0.30 0.00 4.39 -1.83 0.22 114.58 116.93 2jzi h GLU 47 Ca 0.05 0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.70 2jzi h GLU 47 Cb 0.62 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.36 2jzi h GLU 47 CO 0.04 -0.16 -0.14 1.37 -1.16 0.00 0.00 179.01 178.97 2jzi h LEU 48 N -0.69 0.50 -0.51 1.33 -0.00 -1.13 -1.69 115.31 113.13 2jzi h LEU 48 Ca -0.05 -0.14 -0.05 0.00 -0.00 0.00 0.00 57.88 57.65 2jzi h LEU 48 Cb 0.48 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 40.99 2jzi h LEU 48 CO 0.08 0.67 0.13 1.56 -0.00 0.00 0.00 178.44 180.88 2jzi h GLN 49 N 0.47 0.82 -0.42 0.17 4.20 -1.20 0.84 115.11 119.99 2jzi h GLN 49 Ca 0.08 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 2jzi h GLN 49 Cb 0.53 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 2jzi h GLN 49 CO 0.03 0.78 0.23 0.22 -0.67 0.00 0.00 178.83 179.42 2jzi h ASP 50 N 0.71 0.52 0.67 1.46 3.58 -0.59 -2.68 116.42 120.09 2jzi h ASP 50 Ca 0.16 -0.09 -0.16 0.00 0.42 0.00 0.00 57.03 57.37 2jzi h ASP 50 Cb 0.33 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.23 2jzi h ASP 50 CO 0.00 0.45 -0.74 0.24 -2.88 0.00 0.00 179.24 176.31 2jzi h MET 51 N 0.54 0.05 -0.94 0.28 2.86 -1.10 -3.24 114.93 113.38 2jzi h MET 51 Ca 0.15 -0.05 0.15 0.00 -2.06 0.00 0.00 59.70 57.88 2jzi h MET 51 Cb 0.05 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.64 2jzi h MET 51 CO -0.02 0.77 0.60 0.82 1.06 0.00 0.00 176.91 180.13 2jzi h ILE 52 N 0.03 0.84 -1.28 -1.22 1.08 0.11 -1.16 117.51 115.91 2jzi h ILE 52 Ca -0.01 -0.27 0.37 0.00 -0.39 0.00 0.00 64.86 64.56 2jzi h ILE 52 Cb 1.31 -0.02 -0.05 0.00 -3.07 0.00 0.00 36.82 34.99 2jzi h ILE 52 CO 0.10 0.14 1.03 -1.13 -0.69 0.00 0.00 178.15 177.60 2jzi h ASN 53 N 0.78 0.00 0.23 1.72 -0.73 -1.56 1.03 115.58 117.05 2jzi h ASN 53 Ca 0.48 0.00 -0.28 0.00 1.87 0.00 0.00 56.30 58.37 2jzi h ASN 53 Cb 0.69 0.00 0.02 0.00 0.27 0.00 0.00 38.32 39.31 2jzi h ASN 53 CO -0.25 0.00 -1.20 -0.33 -0.37 0.00 0.00 177.43 175.29 2jzi h GLU 54 N 0.00 0.55 0.00 6.67 3.07 -1.45 -3.21 114.58 120.21 2jzi h GLU 54 Ca 0.61 -0.72 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 2jzi h GLU 54 Cb 2.66 0.24 0.00 0.00 -0.84 0.00 0.00 28.75 30.81 2jzi h GLU 54 CO -0.01 1.31 -0.07 1.33 -1.40 0.00 0.00 179.01 180.18 2jzi n VAL 55 N -3.75 0.15 -4.04 3.13 0.24 0.32 -4.83 118.33 109.56 2jzi n VAL 55 Ca -0.12 -0.08 -0.26 0.00 -2.04 0.00 0.00 64.34 61.85 2jzi n VAL 55 Cb 0.97 -0.44 -0.04 0.00 -1.47 0.00 0.00 33.84 32.85 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 -3.40 5.81 0.08 -1.34 2.15 0.81 -4.57 116.67 116.22 2jzi s ASP 56 Ca 0.13 -0.04 0.11 0.00 0.43 0.00 0.00 52.55 53.18 2jzi s ASP 56 Cb 0.17 -1.60 -0.18 0.00 -0.30 0.00 0.00 42.92 41.01 2jzi s ASP 56 CO 0.57 0.05 1.04 0.00 -0.17 0.00 0.00 175.17 176.65 2jzi h ALA 57 N 2.18 0.57 -0.00 3.66 0.00 -1.84 -3.36 119.26 120.48 2jzi h ALA 57 Ca -0.48 -1.04 0.00 0.00 0.00 0.00 0.00 54.91 53.39 2jzi h ALA 57 Cb 1.20 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2jzi h ALA 57 CO 0.65 1.26 -0.17 -0.40 0.00 0.00 0.00 179.25 180.58 2jzi n ASP 58 N -3.18 0.21 -3.25 0.00 5.68 -1.26 -5.05 116.55 109.71 2jzi n ASP 58 Ca -0.07 -0.60 -0.12 0.00 -0.50 0.00 0.00 54.79 53.50 2jzi n ASP 58 Cb 0.94 0.97 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 1.07 -1.18 0.73 6.12 0.00 -1.26 -4.94 105.19 105.73 2jzi n GLY 59 Ca 0.01 0.54 0.08 0.00 0.00 0.00 0.00 46.02 46.65 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 -2.68 3.50 0.00 1.61 6.94 -1.26 -4.81 115.26 118.56 2jzi n ASN 60 Ca -0.06 -2.84 0.00 0.00 -0.02 0.00 0.00 54.58 51.67 2jzi n ASN 60 Cb 0.58 -0.47 0.00 0.00 -2.36 0.00 0.00 39.78 37.53 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 -0.46 0.59 3.46 4.83 0.00 -1.26 -4.99 105.19 107.36 2jzi n GLY 61 Ca 0.19 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.80 115.64 108.89 2jzi s THR 62 Ca 0.00 -1.63 0.04 0.00 -1.18 0.00 0.00 61.69 58.91 2jzi s THR 62 Cb 0.00 -2.55 -0.02 0.00 1.34 0.00 0.00 72.50 71.27 2jzi s THR 62 CO 0.00 0.00 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.28 2jzi s ILE 63 N -3.32 2.76 0.69 2.99 1.01 -1.15 -4.18 121.20 120.00 2jzi s ILE 63 Ca 0.31 -0.81 -0.06 0.00 0.00 0.00 0.00 60.65 60.09 2jzi s ILE 63 Cb 0.00 -2.08 0.15 0.00 0.01 0.00 0.00 42.46 40.54 2jzi s ILE 63 CO 0.18 0.57 0.95 0.47 0.00 0.00 0.00 174.94 177.11 2jzi n ASP 64 N 2.75 0.68 0.18 3.58 8.00 -1.26 -4.05 116.55 126.43 2jzi n ASP 64 Ca -0.17 -1.71 -0.13 0.00 0.71 0.00 0.00 54.79 53.49 2jzi n ASP 64 Cb 0.52 -0.67 -0.07 0.00 -0.02 0.00 0.00 41.12 40.88 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 -1.03 -0.47 -0.28 1.24 -1.00 -2.00 -0.91 116.94 112.49 2jzi h PHE 65 Ca -0.31 -0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.39 2jzi h PHE 65 Cb 1.00 0.15 -0.02 0.00 3.61 0.00 0.00 35.95 40.70 2jzi h PHE 65 CO 0.00 -0.14 -0.14 -1.00 -1.61 0.00 0.00 178.31 175.42 2jzi h PRO 66 N -0.90 0.49 0.21 1.51 0.13 -1.98 -1.63 132.00 129.82 2jzi h PRO 66 Ca -0.05 -0.15 -0.01 0.00 -0.87 0.00 0.00 66.00 64.92 2jzi h PRO 66 Cb 0.54 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.62 2jzi h PRO 66 CO 0.08 0.63 -0.10 0.93 -0.23 0.00 0.00 178.00 179.31 2jzi h GLU 67 N 0.45 -0.27 0.45 0.86 4.39 -1.88 0.14 114.58 118.73 2jzi h GLU 67 Ca 0.08 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 2jzi h GLU 67 Cb 0.52 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 2jzi h GLU 67 CO 0.03 -0.06 -0.36 0.35 -1.16 0.00 0.00 179.01 177.81 2jzi h PHE 68 N -0.43 -0.97 -0.41 4.33 3.04 -0.98 0.22 116.94 121.74 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 0.33 0.36 -0.04 0.00 2.56 0.00 0.00 35.95 39.16 2jzi h PHE 68 CO -0.02 -0.52 0.16 -0.07 -2.02 0.00 0.00 178.31 175.83 2jzi h LEU 69 N -0.81 0.18 -1.90 0.59 3.38 -1.31 0.06 115.31 115.49 2jzi h LEU 69 Ca -0.04 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jzi h LEU 69 Cb 0.69 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 2jzi h LEU 69 CO -0.01 0.14 0.04 0.74 0.09 0.00 0.00 178.44 179.44 2jzi h THR 70 N 0.33 1.03 0.65 0.22 2.02 -0.50 0.60 112.91 117.25 2jzi h THR 70 Ca 0.19 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.27 2jzi h THR 70 Cb 0.16 0.93 0.01 0.00 -1.74 0.00 0.00 68.15 67.50 2jzi h THR 70 CO -0.18 0.03 -0.31 -0.03 0.37 0.00 0.00 175.52 175.40 2jzi h MET 71 N 0.10 -0.84 -0.05 6.66 -1.53 0.14 -0.20 114.93 119.21 2jzi h MET 71 Ca 0.03 0.06 -0.10 0.00 -3.44 0.00 0.00 59.70 56.25 2jzi h MET 71 Cb 0.01 0.19 -0.01 0.00 -0.55 0.00 0.00 31.60 31.23 2jzi h MET 71 CO -0.00 -0.56 -0.42 0.52 0.14 0.00 0.00 176.91 176.59 2jzi h MET 72 N -1.05 0.11 -0.00 0.39 2.86 -1.16 -2.40 114.93 113.68 2jzi h MET 72 Ca -0.09 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 2jzi h MET 72 Cb 0.67 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.33 2jzi h MET 72 CO 0.15 0.52 0.00 0.00 1.06 0.00 0.00 176.91 178.63 2jzi n ALA 73 N -2.46 2.66 -1.68 6.32 0.00 0.21 -4.90 120.51 120.66 2jzi n ALA 73 Ca -0.02 -0.25 -0.42 0.00 0.00 0.00 0.00 53.44 52.76 2jzi n ALA 73 Cb 0.47 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.47 2jzi n ALA 73 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2jzi n ARG 74 N -0.76 1.89 0.08 0.00 3.00 -0.09 -3.56 116.66 117.23 2jzi n ARG 74 Ca 0.23 0.67 0.12 0.00 -0.00 0.00 0.00 57.85 58.87 2jzi n ARG 74 Cb 0.16 -2.26 0.15 0.00 0.00 0.00 0.00 32.46 30.51 2jzi n ARG 74 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 2jzi h LYS 75 N 2.23 0.00 0.00 -0.14 1.63 -1.90 -3.32 116.57 115.07 2jzi h LYS 75 Ca -0.46 0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.16 2jzi h LYS 75 Cb 1.30 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.91 2jzi h LYS 75 CO 0.61 0.00 -0.84 1.98 -3.45 0.00 0.00 179.45 177.74 2jzi h MET 76 N 0.00 0.05 -5.99 1.90 4.05 -1.96 -3.44 114.93 109.54 2jzi h MET 76 Ca 0.00 -0.06 -0.66 0.00 -0.28 0.00 0.00 59.70 58.70 2jzi h MET 76 Cb 0.82 0.02 -0.10 0.00 -0.80 0.00 0.00 31.60 31.53 2jzi h MET 76 CO 0.00 0.86 -0.58 0.21 0.23 0.00 0.00 176.91 177.63 2jzi s LYS 77 N -3.14 3.07 0.00 0.39 2.47 -1.25 -5.08 119.74 116.20 2jzi s LYS 77 Ca -0.01 -0.47 0.00 0.00 -1.56 0.00 0.00 55.97 53.93 2jzi s LYS 77 Cb 0.11 -2.86 0.00 0.00 -1.46 0.00 0.00 37.83 33.62 2jzi s LYS 77 CO 0.80 0.66 0.00 -3.47 0.16 0.00 0.00 175.35 173.50 2jzi n ASP 78 N 1.30 0.00 -2.54 1.43 2.03 -1.26 -4.79 116.55 112.73 2jzi n ASP 78 Ca -0.14 -0.69 -0.01 0.00 0.52 0.00 0.00 54.79 54.47 2jzi n ASP 78 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 2jzi n ASP 78 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2jzi n THR 79 N 0.00-10.33 -2.69 5.18 -1.04 -1.26 -5.03 114.28 99.10 2jzi n THR 79 Ca 0.00 1.43 -0.06 0.00 -2.04 0.00 0.00 64.05 63.38 2jzi n THR 79 Cb 0.00 -6.52 0.08 0.00 -1.82 0.00 0.00 70.33 62.07 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 0.44 -1.74 -0.00 8.00 8.00 -1.26 -4.98 116.55 125.01 2jzi n ASP 80 Ca 0.02 -2.47 -0.06 0.00 0.71 0.00 0.00 54.79 52.98 2jzi n ASP 80 Cb 0.06 1.24 -0.05 0.00 -0.02 0.00 0.00 41.12 42.35 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 2.05 -0.09 1.01 -2.24 0.02 -2.02 -3.34 113.55 108.94 2jzi h SER 81 Ca -0.32 -0.29 -0.20 0.00 -0.84 0.00 0.00 61.79 60.14 2jzi h SER 81 Cb 1.23 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.77 2jzi h SER 81 CO -0.05 0.52 -0.94 -0.33 -1.14 0.00 0.00 176.83 174.89 2jzi h GLU 82 N -0.99 0.00 -0.96 3.45 4.39 -2.01 -3.27 114.58 115.20 2jzi h GLU 82 Ca -0.01 0.00 0.27 0.00 0.34 0.00 0.00 59.36 59.96 2jzi h GLU 82 Cb 0.38 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.99 2jzi h GLU 82 CO 0.02 0.94 0.68 0.93 -1.16 0.00 0.00 179.01 180.42 2jzi h GLU 83 N 0.00 0.04 0.00 2.33 4.39 -1.94 0.60 114.58 120.00 2jzi h GLU 83 Ca -0.01 -0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.52 2jzi h GLU 83 Cb 1.70 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.32 2jzi h GLU 83 CO 0.12 0.03 -0.80 0.93 -1.16 0.00 0.00 179.01 178.13 2jzi h GLU 84 N 0.04 0.00 0.00 2.33 5.08 -1.67 -2.35 114.58 118.01 2jzi h GLU 84 Ca 0.46 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.82 2jzi h GLU 84 Cb 1.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.03 2jzi h GLU 84 CO -0.03 0.80 -0.00 0.82 -1.00 0.00 0.00 179.01 179.60 2jzi h ILE 85 N 0.00 1.58 0.04 3.13 2.04 -0.01 -3.25 117.51 121.04 2jzi h ILE 85 Ca -0.01 -2.11 -0.00 0.00 1.00 0.00 0.00 64.86 63.74 2jzi h ILE 85 Cb 1.48 2.95 0.00 0.00 -0.74 0.00 0.00 36.82 40.51 2jzi h ILE 85 CO 0.10 0.52 -0.02 0.03 0.00 0.00 0.00 178.15 178.79 2jzi h ARG 86 N -0.96 -0.05 -0.30 2.37 -0.00 -1.31 -3.07 114.38 111.07 2jzi h ARG 86 Ca -0.00 0.00 0.09 0.00 -0.50 0.00 0.00 59.98 59.57 2jzi h ARG 86 Cb 0.86 0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.83 2jzi h ARG 86 CO 0.00 0.58 0.39 1.49 0.00 0.00 0.00 179.97 182.43 2jzi h GLU 87 N -0.73 0.00 0.10 0.04 4.81 -1.62 0.24 114.58 117.42 2jzi h GLU 87 Ca -0.00 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.96 2jzi h GLU 87 Cb 0.65 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.03 2jzi h GLU 87 CO 0.01 0.00 -1.17 0.00 -0.73 0.00 0.00 179.01 177.12 2jzi h ALA 88 N 1.50 0.15 0.14 2.92 0.00 -1.58 -2.95 119.26 119.44 2jzi h ALA 88 Ca 0.14 -0.83 -0.01 0.00 0.00 0.00 0.00 54.91 54.22 2jzi h ALA 88 Cb 0.91 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2jzi h ALA 88 CO -0.00 0.89 -0.07 0.35 0.00 0.00 0.00 179.25 180.43 2jzi h PHE 89 N 0.13 -0.17 -0.54 0.00 3.57 -0.46 0.66 116.94 120.13 2jzi h PHE 89 Ca -0.13 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.49 2jzi h PHE 89 Cb 1.87 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 40.63 2jzi h PHE 89 CO 0.07 0.24 0.37 0.07 -2.23 0.00 0.00 178.31 176.83 2jzi h ARG 90 N -0.63 0.20 0.00 1.11 0.11 -1.41 0.12 114.38 113.87 2jzi h ARG 90 Ca -0.02 -0.01 -0.08 0.00 0.10 0.00 0.00 59.98 59.97 2jzi h ARG 90 Cb 0.48 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.50 2jzi h ARG 90 CO 0.03 0.13 -1.09 0.28 0.10 0.00 0.00 179.97 179.42 2jzi h VAL 91 N 0.20 0.26 -0.65 0.08 2.07 -1.42 -3.35 116.25 113.45 2jzi h VAL 91 Ca 0.26 -1.49 0.15 0.00 0.82 0.00 0.00 66.70 66.44 2jzi h VAL 91 Cb 0.73 1.80 -0.04 0.00 -1.52 0.00 0.00 31.29 32.27 2jzi h VAL 91 CO -0.05 0.15 0.45 0.15 0.02 0.00 0.00 177.57 178.29 2jzi h PHE 92 N 0.00 0.26 -3.01 1.57 3.57 0.31 -3.40 116.94 116.23 2jzi h PHE 92 Ca -0.07 0.01 -0.64 0.00 3.53 0.00 0.00 57.97 60.80 2jzi h PHE 92 Cb 1.27 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 39.85 2jzi h PHE 92 CO 0.00 0.10 -0.55 0.34 -2.23 0.00 0.00 178.31 175.97 2jzi s ASP 93 N -6.08 5.94 0.20 0.41 -1.08 -1.18 -4.66 116.67 110.22 2jzi s ASP 93 Ca -0.07 0.18 -0.04 0.00 -0.52 0.00 0.00 52.55 52.11 2jzi s ASP 93 Cb 0.20 -1.75 0.15 0.00 -1.46 0.00 0.00 42.92 40.06 2jzi s ASP 93 CO 0.75 0.23 1.56 0.11 0.52 0.00 0.00 175.17 178.34 2jzi h LYS 94 N 3.67 0.65 -0.00 4.34 1.57 -1.88 -3.29 116.57 121.63 2jzi h LYS 94 Ca -0.48 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 57.96 2jzi h LYS 94 Cb 1.18 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2jzi h LYS 94 CO 0.67 0.94 -0.38 -0.40 -0.57 0.00 0.00 179.45 179.72 2jzi n ASP 95 N -4.03 0.44 -0.00 0.86 5.68 -1.26 -5.01 116.55 113.22 2jzi n ASP 95 Ca -0.02 -0.72 0.00 0.00 -0.50 0.00 0.00 54.79 53.55 2jzi n ASP 95 Cb 0.53 0.97 0.00 0.00 -1.14 0.00 0.00 41.12 41.47 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 1.17 0.58 0.11 6.12 0.00 -1.24 -4.93 105.19 107.00 2jzi n GLY 96 Ca 0.02 -0.77 0.10 0.00 0.00 0.00 0.00 46.02 45.37 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 1.74 0.52 0.00 1.61 5.03 -1.26 -4.83 115.26 118.07 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 0.44 -0.76 0.00 0.00 -1.02 0.00 0.00 39.78 38.44 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 -0.35 0.76 3.20 7.41 0.00 -1.26 -5.06 105.19 109.89 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 -2.14 1.53 -0.26 1.61 2.02 -1.26 -3.44 117.35 115.41 2jzi s TYR 99 Ca 0.00 -0.37 0.03 0.00 -0.37 0.00 0.00 57.07 56.36 2jzi s TYR 99 Cb 0.00 -0.90 0.06 0.00 -0.40 0.00 0.00 41.96 40.72 2jzi s TYR 99 CO 0.00 0.07 -0.10 0.96 -1.57 0.00 0.00 175.55 174.91 2jzi s ILE 100 N -0.86 2.09 0.86 2.71 -4.36 -1.25 -4.69 121.20 115.70 2jzi s ILE 100 Ca 0.04 -1.59 -0.11 0.00 -0.26 0.00 0.00 60.65 58.74 2jzi s ILE 100 Cb -0.08 -2.22 0.16 0.00 1.25 0.00 0.00 42.46 41.56 2jzi s ILE 100 CO 0.02 -0.04 1.20 -0.44 0.24 0.00 0.00 174.94 175.92 2jzi s SER 101 N 1.14 3.71 0.46 4.36 0.01 -1.26 -4.26 113.70 117.84 2jzi s SER 101 Ca -0.09 0.18 0.15 0.00 1.31 0.00 0.00 55.95 57.50 2jzi s SER 101 Cb -0.20 -0.41 1.04 0.00 0.21 0.00 0.00 66.02 66.67 2jzi s SER 101 CO -0.05 -2.34 2.01 0.00 0.41 0.00 0.00 173.24 173.27 2jzi h ALA 102 N -1.22 1.71 0.67 1.44 0.00 -1.89 0.40 119.26 120.37 2jzi h ALA 102 Ca -0.43 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 2jzi h ALA 102 Cb 1.26 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.03 2jzi h ALA 102 CO 0.43 0.20 -0.32 0.00 0.00 0.00 0.00 179.25 179.57 2jzi h ALA 103 N 1.84 -0.90 0.01 0.00 0.00 -1.98 -1.87 119.26 116.36 2jzi h ALA 103 Ca -0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 2jzi h ALA 103 Cb 0.29 0.35 0.01 0.00 0.00 0.00 0.00 17.79 18.44 2jzi h ALA 103 CO 0.02 -0.96 -0.43 0.93 0.00 0.00 0.00 179.25 178.81 2jzi h GLU 104 N -0.98 0.27 -0.72 0.00 4.39 -1.90 -3.10 114.58 112.54 2jzi h GLU 104 Ca -0.09 -0.31 0.19 0.00 0.34 0.00 0.00 59.36 59.50 2jzi h GLU 104 Cb 0.71 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.42 2jzi h GLU 104 CO 0.15 1.02 0.51 1.25 -1.16 0.00 0.00 179.01 180.78 2jzi h LEU 105 N -0.35 0.09 -0.01 1.33 5.85 -0.30 -0.98 115.31 120.94 2jzi h LEU 105 Ca -0.06 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 2jzi h LEU 105 Cb 1.18 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.20 2jzi h LEU 105 CO 0.08 0.04 -0.06 -0.09 -0.34 0.00 0.00 178.44 178.07 2jzi h ARG 106 N 0.10 0.06 -0.79 1.25 2.43 -1.37 -1.11 114.38 114.95 2jzi h ARG 106 Ca 0.35 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.51 2jzi h ARG 106 Cb 1.25 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.76 2jzi h ARG 106 CO -0.04 0.75 0.50 0.45 -1.51 0.00 0.00 179.97 180.12 2jzi h HIS 107 N -0.62 0.93 -0.18 2.20 3.86 -1.22 0.82 115.15 120.94 2jzi h HIS 107 Ca -0.01 0.03 -0.20 0.00 -1.16 0.00 0.00 60.37 59.03 2jzi h HIS 107 Cb 0.77 -0.30 0.01 0.00 1.06 0.00 0.00 27.41 28.94 2jzi h HIS 107 CO 0.17 0.52 -0.67 0.28 0.86 0.00 0.00 177.93 179.09 2jzi h VAL 108 N 0.96 1.29 0.13 2.45 2.07 -1.30 -2.11 116.25 119.74 2jzi h VAL 108 Ca 0.32 -1.88 -0.01 0.00 0.82 0.00 0.00 66.70 65.96 2jzi h VAL 108 Cb 0.05 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2jzi h VAL 108 CO -0.13 0.60 -0.06 0.24 0.02 0.00 0.00 177.57 178.24 2jzi h MET 109 N 0.50 -0.17 -0.23 1.57 2.07 -0.85 -2.86 114.93 114.97 2jzi h MET 109 Ca -0.03 0.01 0.03 0.00 -2.07 0.00 0.00 59.70 57.64 2jzi h MET 109 Cb 1.30 0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 31.04 2jzi h MET 109 CO 0.14 0.28 0.04 1.15 1.07 0.00 0.00 176.91 179.59 2jzi h THR 110 N -0.88 0.89 -0.14 2.22 2.02 0.57 1.08 112.91 118.67 2jzi h THR 110 Ca -0.02 -0.04 0.04 0.00 0.77 0.00 0.00 66.41 67.16 2jzi h THR 110 Cb 0.53 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 2jzi h THR 110 CO 0.03 0.02 0.11 -1.13 0.37 0.00 0.00 175.52 174.93 2jzi h ASN 111 N 0.13 0.00 -0.46 4.18 -0.73 -1.50 -2.15 115.58 115.06 2jzi h ASN 111 Ca 0.10 0.00 -0.34 0.00 1.87 0.00 0.00 56.30 57.94 2jzi h ASN 111 Cb 0.10 0.00 -0.31 0.00 0.27 0.00 0.00 38.32 38.39 2jzi h ASN 111 CO -0.14 0.00 -0.79 0.18 -0.37 0.00 0.00 177.43 176.31 2jzi n LEU 112 N -4.29 3.64 0.00 0.34 4.77 -0.53 -4.76 117.00 116.17 2jzi n LEU 112 Ca 0.00 -4.12 0.00 0.00 -0.03 0.00 0.00 56.01 51.87 2jzi n LEU 112 Cb 0.23 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2jzi n LEU 112 CO 0.33 1.68 0.00 0.61 -1.33 0.00 0.00 177.39 178.67 2jzi n GLY 113 N -0.73 0.25 3.29 -0.72 0.00 0.36 -4.90 105.19 102.75 2jzi n GLY 113 Ca 0.30 0.50 -0.16 0.00 0.00 0.00 0.00 46.02 46.67 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 2.35 1.27 -0.66 1.61 -1.05 -1.24 -4.89 118.70 116.09 2jzi s GLU 114 Ca 0.00 -1.65 -0.27 0.00 -0.15 0.00 0.00 54.97 52.91 2jzi s GLU 114 Cb 0.00 -0.40 -0.00 0.00 -0.44 0.00 0.00 34.13 33.28 2jzi s GLU 114 CO 0.00 -0.16 1.67 0.21 0.95 0.00 0.00 175.26 177.94 2jzi s LYS 115 N -3.92 2.81 -0.36 -4.83 2.20 -1.26 -3.72 119.74 110.65 2jzi s LYS 115 Ca 0.29 0.32 -0.22 0.00 -0.36 0.00 0.00 55.97 56.01 2jzi s LYS 115 Cb 0.06 -4.33 0.01 0.00 -1.51 0.00 0.00 37.83 32.06 2jzi s LYS 115 CO 0.08 -2.55 0.70 -0.48 -0.36 0.00 0.00 175.35 172.74 2jzi s LEU 116 N 8.00 4.21 1.09 5.43 2.34 -1.26 -5.03 118.68 133.46 2jzi s LEU 116 Ca 0.57 0.23 -0.16 0.00 0.06 0.00 0.00 54.13 54.82 2jzi s LEU 116 Cb -0.11 -2.88 0.24 0.00 -0.56 0.00 0.00 46.19 42.87 2jzi s LEU 116 CO 0.19 -0.65 1.13 -0.89 -1.06 0.00 0.00 176.35 175.07 2jzi s THR 117 N 2.87 1.79 0.41 5.48 2.01 -1.26 -4.34 115.64 122.60 2jzi s THR 117 Ca 0.27 0.00 0.21 0.00 0.31 0.00 0.00 61.69 62.48 2jzi s THR 117 Cb -0.14 -2.58 0.41 0.00 0.01 0.00 0.00 72.50 70.20 2jzi s THR 117 CO 0.16 0.00 1.75 0.44 -0.69 0.00 0.00 174.62 176.28 2jzi h ASP 118 N -2.19 0.40 0.54 3.53 3.32 -1.98 0.87 116.42 120.91 2jzi h ASP 118 Ca -0.48 0.09 -0.23 0.00 0.02 0.00 0.00 57.03 56.43 2jzi h ASP 118 Cb 1.30 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.88 2jzi h ASP 118 CO 0.44 0.05 -1.01 -0.33 -1.72 0.00 0.00 179.24 176.66 2jzi h GLU 119 N 0.33 0.28 -0.05 3.56 4.39 -1.98 -0.78 114.58 120.32 2jzi h GLU 119 Ca 0.62 -0.35 -0.17 0.00 0.34 0.00 0.00 59.36 59.80 2jzi h GLU 119 Cb 1.68 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 30.43 2jzi h GLU 119 CO -0.30 1.09 -0.71 0.93 -1.16 0.00 0.00 179.01 178.85 2jzi h GLU 120 N 0.13 0.28 -0.00 2.33 4.39 -0.16 -0.39 114.58 121.16 2jzi h GLU 120 Ca -0.08 -0.23 -0.02 0.00 0.34 0.00 0.00 59.36 59.37 2jzi h GLU 120 Cb 1.68 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.38 2jzi h GLU 120 CO 0.16 0.88 -0.07 0.28 -1.16 0.00 0.00 179.01 179.11 2jzi h VAL 121 N 0.19 1.58 0.17 3.13 2.07 0.42 -2.70 116.25 121.12 2jzi h VAL 121 Ca -0.02 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.69 2jzi h VAL 121 Cb 1.27 2.78 -0.01 0.00 -1.52 0.00 0.00 31.29 33.81 2jzi h VAL 121 CO 0.11 0.48 -0.16 0.44 0.02 0.00 0.00 177.57 178.46 2jzi h ASP 122 N -0.67 -0.41 -0.23 0.57 3.32 -1.18 -0.15 116.42 117.66 2jzi h ASP 122 Ca -0.01 0.04 0.07 0.00 0.02 0.00 0.00 57.03 57.15 2jzi h ASP 122 Cb 0.82 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 2jzi h ASP 122 CO 0.01 -0.24 0.18 1.05 -1.72 0.00 0.00 179.24 178.53 2jzi h GLU 123 N -0.35 0.00 -0.03 3.56 -0.00 -1.17 0.10 114.58 116.69 2jzi h GLU 123 Ca -0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 59.36 59.11 2jzi h GLU 123 Cb 0.33 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.09 2jzi h GLU 123 CO -0.03 0.00 -0.96 1.98 -0.00 0.00 0.00 179.01 180.00 2jzi h MET 124 N 0.00 0.61 -0.36 1.06 4.05 -0.94 -2.63 114.93 116.73 2jzi h MET 124 Ca 0.11 -0.62 -0.12 0.00 -0.28 0.00 0.00 59.70 58.79 2jzi h MET 124 Cb 0.48 0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.44 2jzi h MET 124 CO -0.00 1.23 -0.24 0.82 0.23 0.00 0.00 176.91 178.95 2jzi h ILE 125 N 0.36 1.29 -0.61 1.77 2.04 0.62 0.40 117.51 123.37 2jzi h ILE 125 Ca -0.10 -1.39 -0.09 0.00 1.00 0.00 0.00 64.86 64.28 2jzi h ILE 125 Cb 1.60 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 39.06 2jzi h ILE 125 CO 0.18 0.46 0.02 0.03 0.00 0.00 0.00 178.15 178.84 2jzi h ARG 126 N 0.58 1.06 0.15 2.37 3.08 -1.12 0.95 114.38 121.44 2jzi h ARG 126 Ca 0.07 -0.32 -0.30 0.00 0.07 0.00 0.00 59.98 59.50 2jzi h ARG 126 Cb 0.81 -0.10 0.01 0.00 0.08 0.00 0.00 29.97 30.76 2jzi h ARG 126 CO 0.07 1.02 -1.43 1.05 -1.07 0.00 0.00 179.97 179.60 2jzi h GLU 127 N 0.97 0.32 -0.40 0.04 4.11 -1.45 -3.31 114.58 114.85 2jzi h GLU 127 Ca 0.18 -0.54 -0.11 0.00 0.07 0.00 0.00 59.36 58.96 2jzi h GLU 127 Cb 0.53 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 2jzi h GLU 127 CO 0.03 1.22 -0.19 0.00 0.07 0.00 0.00 179.01 180.13 2jzi h ALA 128 N 0.45 0.90 -2.86 1.06 0.00 -0.15 -3.43 119.26 115.22 2jzi h ALA 128 Ca -0.21 -0.36 -0.63 0.00 0.00 0.00 0.00 54.91 53.70 2jzi h ALA 128 Cb 2.03 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 19.61 2jzi h ALA 128 CO 0.20 0.63 -0.50 0.34 0.00 0.00 0.00 179.25 179.91 2jzi s ASP 129 N -6.74 6.31 -0.05 0.00 2.15 0.32 -4.24 116.67 114.43 2jzi s ASP 129 Ca -0.09 0.31 -0.13 0.00 0.43 0.00 0.00 52.55 53.07 2jzi s ASP 129 Cb 0.13 -1.96 -0.31 0.00 -0.30 0.00 0.00 42.92 40.48 2jzi s ASP 129 CO 0.83 0.24 0.69 0.16 -0.17 0.00 0.00 175.17 176.92 2jzi h ILE 130 N 2.63 1.00 0.00 4.11 3.07 -1.84 -3.30 117.51 123.18 2jzi h ILE 130 Ca -0.48 -2.51 0.00 0.00 1.55 0.00 0.00 64.86 63.42 2jzi h ILE 130 Cb 1.18 2.80 0.00 0.00 -0.27 0.00 0.00 36.82 40.53 2jzi h ILE 130 CO 0.71 0.83 0.00 0.47 -1.05 0.00 0.00 178.15 179.10 2jzi n ASP 131 N -3.67 0.13 -3.00 2.16 9.92 -1.26 -4.82 116.55 116.00 2jzi n ASP 131 Ca -0.24 0.54 -0.12 0.00 -0.53 0.00 0.00 54.79 54.43 2jzi n ASP 131 Cb 1.05 -0.56 -0.02 0.00 -0.64 0.00 0.00 41.12 40.95 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 -0.15 -0.48 0.01 0.44 0.00 -1.24 -4.73 105.19 99.05 2jzi n GLY 132 Ca 0.03 0.02 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 -1.80 0.67 0.00 1.61 5.75 -1.26 -4.96 116.55 116.55 2jzi n ASP 133 Ca 0.01 -0.47 0.00 0.00 -0.01 0.00 0.00 54.79 54.32 2jzi n ASP 133 Cb 0.50 0.91 0.00 0.00 -1.03 0.00 0.00 41.12 41.50 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 1.42 1.26 3.16 6.12 0.00 -1.26 -5.10 105.19 110.79 2jzi n GLY 134 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.02 0.48 -0.24 1.61 -2.07 -1.26 -4.43 119.66 113.74 2jzi s GLN 135 Ca 0.00 -0.08 -0.01 0.00 -1.82 0.00 0.00 55.36 53.45 2jzi s GLN 135 Cb 0.00 0.21 0.07 0.00 -1.09 0.00 0.00 33.01 32.20 2jzi s GLN 135 CO 0.00 -0.11 0.02 0.08 -1.32 0.00 0.00 175.29 173.96 2jzi s VAL 136 N -0.86 0.97 0.89 3.63 1.01 -1.26 -4.66 120.40 120.12 2jzi s VAL 136 Ca -0.09 -1.01 -0.14 0.00 0.00 0.00 0.00 61.98 60.73 2jzi s VAL 136 Cb -0.05 -1.47 0.15 0.00 0.00 0.00 0.00 36.38 35.01 2jzi s VAL 136 CO 0.02 -0.29 1.26 0.21 0.00 0.00 0.00 175.10 176.29 2jzi s ASN 137 N 1.63 3.72 0.04 3.32 2.47 -1.22 -3.85 114.94 121.05 2jzi s ASN 137 Ca 0.00 0.48 -0.10 0.00 0.42 0.00 0.00 52.86 53.66 2jzi s ASN 137 Cb -0.18 -0.72 -0.03 0.00 -1.45 0.00 0.00 41.25 38.87 2jzi s ASN 137 CO -0.11 -2.37 1.17 0.22 -3.72 0.00 0.00 177.10 172.28 2jzi h TYR 138 N -1.38 -0.52 -0.40 0.43 3.20 -1.95 -1.03 116.97 115.33 2jzi h TYR 138 Ca -0.45 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.45 2jzi h TYR 138 Cb 1.28 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.77 2jzi h TYR 138 CO -0.52 -0.15 0.27 0.93 -1.64 0.00 0.00 178.16 177.05 2jzi h GLU 139 N -0.12 0.51 -1.00 1.82 5.08 -1.97 0.43 114.58 119.32 2jzi h GLU 139 Ca 0.02 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.44 2jzi h GLU 139 Cb 0.18 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.24 2jzi h GLU 139 CO -0.18 0.34 0.64 1.49 -1.00 0.00 0.00 179.01 180.29 2jzi h GLU 140 N 0.52 1.06 0.08 2.33 4.81 -1.63 -0.32 114.58 121.45 2jzi h GLU 140 Ca 0.15 -0.06 -0.25 0.00 -0.13 0.00 0.00 59.36 59.06 2jzi h GLU 140 Cb -0.03 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.11 2jzi h GLU 140 CO -0.03 0.70 -1.13 0.35 -0.73 0.00 0.00 179.01 178.17 2jzi h PHE 141 N 1.09 0.48 -0.57 0.92 3.57 -0.03 -3.30 116.94 119.10 2jzi h PHE 141 Ca 0.46 -0.32 0.08 0.00 3.53 0.00 0.00 57.97 61.72 2jzi h PHE 141 Cb 0.30 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 38.94 2jzi h PHE 141 CO -0.00 1.21 0.21 0.28 -2.23 0.00 0.00 178.31 177.78 2jzi h VAL 142 N 0.11 0.79 -0.41 1.41 2.07 0.65 0.83 116.25 121.69 2jzi h VAL 142 Ca -0.11 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.32 2jzi h VAL 142 Cb 1.83 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 2jzi h VAL 142 CO 0.19 0.07 0.19 1.56 0.02 0.00 0.00 177.57 179.59 2jzi h GLN 143 N 0.39 0.37 -0.03 1.57 4.20 -1.27 -1.53 115.11 118.81 2jzi h GLN 143 Ca 0.28 -0.02 -0.15 0.00 0.06 0.00 0.00 58.65 58.82 2jzi h GLN 143 Cb 0.34 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 2jzi h GLN 143 CO -0.29 0.24 -0.67 1.98 -0.67 0.00 0.00 178.83 179.43 2jzi h MET 144 N 0.38 0.13 -0.76 1.46 4.05 -1.43 -2.35 114.93 116.40 2jzi h MET 144 Ca 0.18 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 2jzi h MET 144 Cb 0.11 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 30.89 2jzi h MET 144 CO -0.14 0.75 0.49 1.98 0.23 0.00 0.00 176.91 180.21 2jzi h MET 145 N 0.09 1.01 0.01 0.39 -1.53 0.13 -2.54 114.93 112.50 2jzi h MET 145 Ca -0.01 -0.07 -0.20 0.00 -3.44 0.00 0.00 59.70 55.98 2jzi h MET 145 Cb 1.19 -0.22 -0.02 0.00 -0.55 0.00 0.00 31.60 32.00 2jzi h MET 145 CO 0.10 0.68 -0.94 0.00 0.14 0.00 0.00 176.91 176.89 2jzi h THR 146 N 1.03 1.62 -4.05 -0.77 1.03 -1.28 -3.46 112.91 107.03 2jzi h THR 146 Ca 0.28 -3.04 -0.56 0.00 -0.01 0.00 0.00 66.41 63.07 2jzi h THR 146 Cb -0.09 2.68 0.16 0.00 -1.07 0.00 0.00 68.15 69.82 2jzi h THR 146 CO -0.06 0.87 0.52 0.00 -0.01 0.00 0.00 175.52 176.84 2jzi n ALA 147 N -2.40 1.22 1.39 0.00 0.00 -0.89 -5.12 120.51 114.71 2jzi n ALA 147 Ca -0.02 0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.59 2jzi n ALA 147 Cb 0.87 -2.32 0.43 0.00 0.00 0.00 0.00 19.45 18.43 2jzi n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13