#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 0.14 -3.98 0.00 8.00 -1.26 -4.99 116.55 114.46 2jzi n ASP 2 Ca 0.00 -1.03 -0.31 0.00 0.71 0.00 0.00 54.79 54.15 2jzi n ASP 2 Cb 0.00 -0.01 -0.11 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 -2.06 2.52 0.37 -1.24 0.74 -1.26 -5.05 119.66 113.68 2jzi s GLN 3 Ca 0.01 -3.06 0.04 0.00 0.05 0.00 0.00 55.36 52.41 2jzi s GLN 3 Cb -0.00 -3.54 -0.01 0.00 1.10 0.00 0.00 33.01 30.56 2jzi s GLN 3 CO 0.01 -1.22 0.54 -0.51 -0.55 0.00 0.00 175.29 173.55 2jzi s LEU 4 N -0.98 3.87 0.32 3.68 1.43 -1.26 -5.11 118.68 120.62 2jzi s LEU 4 Ca 0.22 -0.01 0.05 0.00 -1.03 0.00 0.00 54.13 53.36 2jzi s LEU 4 Cb -0.12 -2.90 -0.02 0.00 0.03 0.00 0.00 46.19 43.18 2jzi s LEU 4 CO -0.10 -0.51 0.46 0.42 0.23 0.00 0.00 176.35 176.85 2jzi s THR 5 N -2.30 4.58 0.20 5.49 -4.23 -1.26 -4.84 115.64 113.28 2jzi s THR 5 Ca 0.46 -0.88 -0.16 0.00 -1.18 0.00 0.00 61.69 59.93 2jzi s THR 5 Cb -0.10 -3.62 0.19 0.00 1.34 0.00 0.00 72.50 70.31 2jzi s THR 5 CO 0.33 -0.28 1.62 -0.08 -0.54 0.00 0.00 174.62 175.67 2jzi h GLU 6 N 0.91 -0.07 0.00 3.99 4.81 -1.99 0.98 114.58 123.22 2jzi h GLU 6 Ca -0.48 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.72 2jzi h GLU 6 Cb 1.24 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 2jzi h GLU 6 CO 0.57 -0.04 -0.17 0.93 -0.73 0.00 0.00 179.01 179.57 2jzi h GLU 7 N -0.07 0.00 0.05 1.92 4.39 -1.98 0.41 114.58 119.30 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 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2jzi h GLU 7 CO -0.63 0.17 -0.03 1.96 -1.16 0.00 0.00 179.01 179.32 2jzi h GLN 8 N 0.00 -0.07 0.00 2.33 1.08 0.17 -3.29 115.11 115.33 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 0.35 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.78 2jzi h GLN 8 CO 0.02 0.49 -0.58 -0.84 -0.95 0.00 0.00 178.83 176.97 2jzi h ILE 9 N -0.70 1.30 -0.64 2.54 3.07 0.82 -2.87 117.51 121.03 2jzi h ILE 9 Ca -0.01 -2.06 0.19 0.00 1.55 0.00 0.00 64.86 64.53 2jzi h ILE 9 Cb 0.59 2.15 -0.03 0.00 -0.27 0.00 0.00 36.82 39.26 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 1.42 2.47 0.00 0.16 0.00 -0.26 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 54.75 2jzi h ALA 10 Cb 1.10 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2jzi h ALA 10 CO 0.08 -0.90 -0.65 0.93 0.00 0.00 0.00 179.25 178.70 2jzi h GLU 11 N 0.00 0.00 0.03 0.00 5.08 -1.61 -2.86 114.58 115.22 2jzi h GLU 11 Ca 0.31 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2jzi h GLU 11 Cb 1.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.70 2jzi h GLU 11 CO -0.00 0.65 -0.01 0.74 -1.00 0.00 0.00 179.01 179.38 2jzi h PHE 12 N 0.00 -0.03 -0.17 4.33 -1.00 0.24 -3.20 116.94 117.11 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 1.26 0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.83 2jzi h PHE 12 CO 0.00 0.13 0.31 1.57 -1.61 0.00 0.00 178.31 178.72 2jzi h LYS 13 N -1.00 0.00 0.00 1.51 2.10 -1.19 1.33 116.57 119.31 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 0.18 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.49 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 -0.10 0.07 4.11 -1.60 -2.02 114.58 115.04 2jzi h GLU 14 Ca 0.08 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.27 2jzi h GLU 14 Cb 0.71 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.97 2jzi h GLU 14 CO -0.00 0.65 -0.87 0.00 0.07 0.00 0.00 179.01 178.86 2jzi h ALA 15 N 1.35 0.26 0.11 1.06 0.00 0.17 0.49 119.26 122.70 2jzi h ALA 15 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2jzi h ALA 15 Cb 1.32 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2jzi h ALA 15 CO 0.08 0.69 -0.11 0.74 0.00 0.00 0.00 179.25 180.65 2jzi h PHE 16 N 0.49 -0.28 0.00 0.00 0.04 -0.98 0.33 116.94 116.55 2jzi h PHE 16 Ca -0.08 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.63 2jzi h PHE 16 Cb 1.50 0.11 -0.01 0.00 2.20 0.00 0.00 35.95 39.75 2jzi h PHE 16 CO 0.09 -0.17 -0.32 0.66 -0.60 0.00 0.00 178.31 177.97 2jzi h SER 17 N -0.24 0.00 1.48 2.17 4.64 -1.38 -2.76 113.55 117.45 2jzi h SER 17 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 2jzi h SER 17 Cb 0.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 2jzi h SER 17 CO -0.03 0.32 -0.53 0.25 -0.87 0.00 0.00 176.83 175.97 2jzi h LEU 18 N 0.00 0.00 -1.37 5.97 6.46 0.41 -3.20 115.31 123.58 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 0.35 -0.06 0.33 -0.62 0.00 0.00 178.44 178.48 2jzi n PHE 19 N -3.11 0.00 -4.10 1.25 7.35 0.11 -4.35 117.46 114.62 2jzi n PHE 19 Ca 0.01 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.35 2jzi n PHE 19 Cb 0.68 -0.01 -0.07 0.00 0.35 0.00 0.00 39.48 40.43 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 -2.08 5.81 0.09 -2.13 2.15 -1.05 -4.88 116.67 114.58 2jzi s ASP 20 Ca 0.31 0.25 -0.28 0.00 0.43 0.00 0.00 52.55 53.26 2jzi s ASP 20 Cb 0.20 -1.74 -0.15 0.00 -0.30 0.00 0.00 42.92 40.93 2jzi s ASP 20 CO 0.35 0.34 1.68 0.11 -0.17 0.00 0.00 175.17 177.47 2jzi h LYS 21 N 4.58 -0.43 -0.00 4.34 1.79 -1.86 -2.46 116.57 122.52 2jzi h LYS 21 Ca -0.51 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 2jzi h LYS 21 Cb 1.20 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 2jzi h LYS 21 CO 0.60 -0.28 -0.16 -0.40 -1.08 0.00 0.00 179.45 178.12 2jzi n ASP 22 N -5.30 0.57 -3.90 0.86 5.75 -1.26 -4.94 116.55 108.33 2jzi n ASP 22 Ca -0.09 -0.56 -0.26 0.00 -0.01 0.00 0.00 54.79 53.86 2jzi n ASP 22 Cb 0.21 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 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 1.32 -0.30 1.29 6.12 0.00 -0.93 -4.85 105.19 107.84 2jzi n GLY 23 Ca 0.13 0.15 0.05 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.96 3.72 0.00 1.61 5.68 -1.26 -4.84 116.55 118.50 2jzi n ASP 24 Ca -0.22 -2.50 0.00 0.00 -0.50 0.00 0.00 54.79 51.56 2jzi n ASP 24 Cb 0.64 -0.58 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 0.48 0.75 3.26 6.12 0.00 -1.26 -4.98 105.19 109.55 2jzi n GLY 25 Ca 0.17 0.00 -0.14 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 -2.81 0.05 -0.11 2.61 -4.23 -1.26 -4.32 115.64 105.57 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 -0.63 -0.04 0.00 1.34 0.00 0.00 72.50 73.17 2jzi s THR 26 CO 0.00 -0.21 0.12 -0.63 -0.54 0.00 0.00 174.62 173.36 2jzi s ILE 27 N -1.15 5.30 0.83 2.99 1.01 -1.26 -4.65 121.20 124.28 2jzi s ILE 27 Ca -0.12 0.10 -0.09 0.00 0.00 0.00 0.00 60.65 60.54 2jzi s ILE 27 Cb -0.05 -3.31 0.15 0.00 0.01 0.00 0.00 42.46 39.26 2jzi s ILE 27 CO 0.04 0.59 1.15 0.28 0.00 0.00 0.00 174.94 177.01 2jzi s THR 28 N -1.03 2.09 0.18 2.92 -1.32 -1.26 -2.90 115.64 114.32 2jzi s THR 28 Ca 0.16 -0.26 -0.06 0.00 -1.21 0.00 0.00 61.69 60.32 2jzi s THR 28 Cb -0.12 -2.83 -0.05 0.00 -1.51 0.00 0.00 72.50 67.99 2jzi s THR 28 CO 0.05 0.00 1.50 0.71 -2.21 0.00 0.00 174.62 174.67 2jzi h THR 29 N -1.06 1.30 -0.88 5.08 1.35 -1.72 -1.20 112.91 115.77 2jzi h THR 29 Ca -0.41 -1.68 0.01 0.00 -0.55 0.00 0.00 66.41 63.77 2jzi h THR 29 Cb 1.26 1.61 -0.04 0.00 -1.73 0.00 0.00 68.15 69.25 2jzi h THR 29 CO 0.43 0.54 0.57 0.07 -0.25 0.00 0.00 175.52 176.88 2jzi h LYS 30 N 0.55 1.17 0.18 4.72 5.09 -1.93 1.05 116.57 127.40 2jzi h LYS 30 Ca 0.03 -0.08 -0.01 0.00 0.09 0.00 0.00 60.65 60.68 2jzi h LYS 30 Cb 1.04 -0.26 0.00 0.00 0.10 0.00 0.00 32.23 33.11 2jzi h LYS 30 CO 0.10 0.79 -0.09 0.93 -2.09 0.00 0.00 179.45 179.09 2jzi h GLU 31 N 1.20 -0.24 0.35 0.07 4.39 -1.90 0.46 114.58 118.92 2jzi h GLU 31 Ca 0.32 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.03 2jzi h GLU 31 Cb -0.12 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 2jzi h GLU 31 CO -0.07 0.15 -0.25 -0.07 -1.16 0.00 0.00 179.01 177.62 2jzi h LEU 32 N -0.72 -0.63 -0.49 1.33 3.38 -1.07 0.39 115.31 117.50 2jzi h LEU 32 Ca -0.03 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.03 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 0.04 -0.38 0.25 1.23 0.09 0.00 0.00 178.44 179.68 2jzi h GLY 33 N -0.59 0.69 1.91 0.83 0.00 0.11 -1.14 103.07 104.89 2jzi h GLY 33 Ca -0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 2jzi h GLY 33 CO 0.01 0.12 -0.07 -0.84 0.00 0.00 0.00 176.54 175.76 2jzi h THR 34 N 0.50 1.10 0.44 4.70 2.02 0.20 0.88 112.91 122.75 2jzi h THR 34 Ca 0.21 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 2jzi h THR 34 Cb 0.11 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 2jzi h THR 34 CO -0.14 0.13 -0.21 0.58 0.37 0.00 0.00 175.52 176.25 2jzi h VAL 35 N 0.11 0.36 -0.14 3.16 2.07 0.24 0.32 116.25 122.37 2jzi h VAL 35 Ca 0.03 -0.56 -0.17 0.00 0.82 0.00 0.00 66.70 66.82 2jzi h VAL 35 Cb 0.20 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 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 -1.00 0.49 -0.36 1.57 -1.53 -1.15 -1.53 114.93 111.43 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 0.95 -0.15 -0.09 0.14 0.00 0.00 176.91 177.86 2jzi h ARG 37 N 0.36 0.74 0.00 0.39 2.43 0.71 0.33 114.38 119.35 2jzi h ARG 37 Ca -0.01 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 2jzi h ARG 37 Cb 1.16 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 2jzi h ARG 37 CO 0.11 0.92 0.00 0.45 -1.51 0.00 0.00 179.97 179.94 2jzi n SER 38 N -4.33 0.00 -0.09 -3.80 2.88 0.10 -3.08 113.62 105.31 2jzi n SER 38 Ca -0.02 0.23 -0.14 0.00 -1.33 0.00 0.00 58.87 57.61 2jzi n SER 38 Cb 0.39 -0.41 -0.07 0.00 -0.75 0.00 0.00 64.21 63.38 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 -1.41 1.84 -1.17 2.46 0.00 -0.58 -4.92 117.00 113.23 2jzi n LEU 39 Ca 0.10 0.51 -0.01 0.00 0.00 0.00 0.00 56.01 56.61 2jzi n LEU 39 Cb 0.28 -0.91 0.01 0.00 0.00 0.00 0.00 43.42 42.80 2jzi n LEU 39 CO 0.24 -0.06 0.20 0.61 0.00 0.00 0.00 177.39 178.38 2jzi n GLY 40 N 1.51 -0.33 3.00 -3.96 0.00 -0.30 -5.08 105.19 100.02 2jzi n GLY 40 Ca -0.22 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.16 0.43 -2.72 1.61 -0.06 -0.05 -4.97 117.38 111.47 2jzi n GLN 41 Ca -0.05 -3.11 -0.08 0.00 -2.00 0.00 0.00 57.00 51.76 2jzi n GLN 41 Cb 0.46 2.32 0.10 0.00 -4.06 0.00 0.00 30.24 29.06 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 -1.73 -2.14 -3.12 1.69 6.94 -1.26 -4.36 115.26 111.28 2jzi n ASN 42 Ca 0.04 -3.26 -0.17 0.00 -0.02 0.00 0.00 54.58 51.17 2jzi n ASN 42 Cb 0.56 1.57 0.12 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 0.02 -0.73 -4.29 -0.53 -0.04 -1.26 -5.10 135.00 123.08 2jzi n PRO 43 Ca 0.03 -1.21 -0.28 0.00 -0.04 0.00 0.00 63.50 62.00 2jzi n PRO 43 Cb 0.75 -0.79 -0.10 0.00 -0.04 0.00 0.00 33.50 33.33 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 -2.66 3.08 0.12 0.52 2.01 -1.26 -5.03 115.64 112.42 2jzi s THR 44 Ca 0.44 -1.57 -0.20 0.00 0.31 0.00 0.00 61.69 60.66 2jzi s THR 44 Cb -0.01 -2.48 -0.05 0.00 0.01 0.00 0.00 72.50 69.96 2jzi s THR 44 CO 0.31 -0.02 1.72 -0.33 -0.69 0.00 0.00 174.62 175.61 2jzi h GLU 45 N 3.26 0.05 -0.21 4.92 4.39 -1.99 -0.83 114.58 124.18 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 29.81 2jzi h GLU 45 CO 0.51 0.03 -0.24 0.00 -1.16 0.00 0.00 179.01 178.15 2jzi h ALA 46 N 1.15 1.21 0.34 3.43 0.00 -1.98 -1.55 119.26 121.86 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 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2jzi h ALA 46 CO -0.14 0.52 -0.16 0.93 0.00 0.00 0.00 179.25 180.39 2jzi h GLU 47 N 0.34 -0.44 -0.30 0.00 4.39 -1.84 0.06 114.58 116.79 2jzi h GLU 47 Ca 0.05 0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.71 2jzi h GLU 47 Cb 0.61 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 2jzi h GLU 47 CO 0.04 -0.17 -0.14 1.37 -1.16 0.00 0.00 179.01 178.96 2jzi h LEU 48 N -0.69 0.51 -0.53 1.33 -0.00 -1.14 -1.69 115.31 113.11 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 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 40.98 2jzi h LEU 48 CO 0.08 0.68 0.14 1.56 -0.00 0.00 0.00 178.44 180.90 2jzi h GLN 49 N 0.48 0.85 -0.40 0.17 4.20 -1.20 0.85 115.11 120.06 2jzi h GLN 49 Ca 0.09 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 2jzi h GLN 49 Cb 0.52 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 2jzi h GLN 49 CO 0.03 0.79 0.21 0.22 -0.67 0.00 0.00 178.83 179.42 2jzi h ASP 50 N 0.75 0.51 0.67 1.46 1.82 -0.62 -2.71 116.42 118.30 2jzi h ASP 50 Ca 0.17 -0.10 -0.16 0.00 -0.39 0.00 0.00 57.03 56.55 2jzi h ASP 50 Cb 0.32 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.18 2jzi h ASP 50 CO -0.00 0.46 -0.74 0.24 -1.61 0.00 0.00 179.24 177.59 2jzi h MET 51 N 0.52 0.05 -0.94 0.28 2.86 -1.10 -3.24 114.93 113.36 2jzi h MET 51 Ca 0.14 -0.05 0.15 0.00 -2.06 0.00 0.00 59.70 57.88 2jzi h MET 51 Cb 0.07 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.66 2jzi h MET 51 CO -0.02 0.77 0.60 0.82 1.06 0.00 0.00 176.91 180.14 2jzi h ILE 52 N 0.03 0.83 -1.31 -1.22 1.08 0.11 -1.16 117.51 115.87 2jzi h ILE 52 Ca -0.01 -0.27 0.38 0.00 -0.39 0.00 0.00 64.86 64.57 2jzi h ILE 52 Cb 1.31 -0.01 -0.05 0.00 -3.07 0.00 0.00 36.82 34.99 2jzi h ILE 52 CO 0.10 0.14 1.04 -1.13 -0.69 0.00 0.00 178.15 177.62 2jzi h ASN 53 N 0.78 0.00 0.20 1.72 -0.73 -1.56 1.02 115.58 117.01 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 0.70 0.00 0.02 0.00 0.27 0.00 0.00 38.32 39.32 2jzi h ASN 53 CO -0.25 0.00 -1.19 -0.33 -0.37 0.00 0.00 177.43 175.29 2jzi h GLU 54 N 0.00 0.57 0.00 6.67 3.07 -1.45 -3.21 114.58 120.23 2jzi h GLU 54 Ca 0.62 -0.73 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 2jzi h GLU 54 Cb 2.70 0.24 0.00 0.00 -0.84 0.00 0.00 28.75 30.85 2jzi h GLU 54 CO -0.01 1.32 -0.06 1.33 -1.40 0.00 0.00 179.01 180.19 2jzi n VAL 55 N -3.76 0.16 -4.04 3.13 0.24 0.32 -4.83 118.33 109.55 2jzi n VAL 55 Ca -0.12 -0.08 -0.25 0.00 -2.04 0.00 0.00 64.34 61.84 2jzi n VAL 55 Cb 0.96 -0.45 -0.04 0.00 -1.47 0.00 0.00 33.84 32.84 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 -3.43 5.80 0.07 -1.34 2.15 0.83 -4.57 116.67 116.18 2jzi s ASP 56 Ca 0.13 -0.04 0.11 0.00 0.43 0.00 0.00 52.55 53.17 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 1.03 0.00 -0.17 0.00 0.00 175.17 176.65 2jzi h ALA 57 N 2.18 0.56 -0.00 3.66 0.00 -1.84 -3.36 119.26 120.46 2jzi h ALA 57 Ca -0.48 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 53.37 2jzi h ALA 57 Cb 1.20 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2jzi h ALA 57 CO 0.64 1.28 -0.17 -0.40 0.00 0.00 0.00 179.25 180.60 2jzi n ASP 58 N -3.19 0.22 -3.25 0.00 5.68 -1.26 -5.05 116.55 109.71 2jzi n ASP 58 Ca -0.07 -0.61 -0.12 0.00 -0.50 0.00 0.00 54.79 53.49 2jzi n ASP 58 Cb 0.95 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 1.06 -1.18 0.74 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 3.51 0.00 1.61 6.94 -1.26 -4.81 115.26 118.57 2jzi n ASN 60 Ca -0.06 -2.84 0.00 0.00 -0.02 0.00 0.00 54.58 51.66 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 -0.45 0.59 3.46 4.83 0.00 -1.26 -4.99 105.19 107.36 2jzi n GLY 61 Ca 0.19 -0.73 -0.14 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.72 115.64 108.98 2jzi s THR 62 Ca 0.00 -1.64 0.03 0.00 -1.18 0.00 0.00 61.69 58.90 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 -3.34 2.79 0.69 2.99 1.01 -1.14 -4.19 121.20 120.01 2jzi s ILE 63 Ca 0.31 -0.80 -0.06 0.00 0.00 0.00 0.00 60.65 60.10 2jzi s ILE 63 Cb 0.01 -2.09 0.15 0.00 0.01 0.00 0.00 42.46 40.53 2jzi s ILE 63 CO 0.18 0.57 0.94 0.47 0.00 0.00 0.00 174.94 177.10 2jzi n ASP 64 N 2.75 0.69 0.18 3.58 8.00 -1.26 -4.06 116.55 126.44 2jzi n ASP 64 Ca -0.17 -1.72 -0.13 0.00 0.71 0.00 0.00 54.79 53.48 2jzi n ASP 64 Cb 0.52 -0.66 -0.07 0.00 -0.02 0.00 0.00 41.12 40.89 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 -1.01 -0.46 -0.31 1.24 -1.00 -2.00 -0.89 116.94 112.50 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 40.69 2jzi h PHE 65 CO 0.00 -0.13 -0.12 -1.00 -1.61 0.00 0.00 178.31 175.45 2jzi h PRO 66 N -0.90 0.53 0.20 1.51 0.13 -1.98 -1.61 132.00 129.88 2jzi h PRO 66 Ca -0.05 -0.16 -0.01 0.00 -0.87 0.00 0.00 66.00 64.91 2jzi h PRO 66 Cb 0.54 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.62 2jzi h PRO 66 CO 0.08 0.65 -0.10 0.93 -0.23 0.00 0.00 178.00 179.33 2jzi h GLU 67 N 0.49 -0.26 0.42 0.86 4.39 -1.88 0.23 114.58 118.83 2jzi h GLU 67 Ca 0.09 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 2jzi h GLU 67 Cb 0.50 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 2jzi h GLU 67 CO 0.03 -0.07 -0.35 0.35 -1.16 0.00 0.00 179.01 177.82 2jzi h PHE 68 N -0.42 -0.93 -0.47 4.33 3.04 -0.98 0.25 116.94 121.76 2jzi h PHE 68 Ca -0.03 0.00 0.04 0.00 3.98 0.00 0.00 57.97 61.96 2jzi h PHE 68 Cb 0.32 0.35 -0.04 0.00 2.56 0.00 0.00 35.95 39.14 2jzi h PHE 68 CO -0.02 -0.50 0.23 -0.07 -2.02 0.00 0.00 178.31 175.93 2jzi h LEU 69 N -0.77 0.34 -1.88 0.59 3.38 -1.30 -0.10 115.31 115.56 2jzi h LEU 69 Ca -0.04 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2jzi h LEU 69 Cb 0.67 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2jzi h LEU 69 CO -0.02 0.24 0.07 0.74 0.09 0.00 0.00 178.44 179.57 2jzi h THR 70 N 0.46 1.03 0.65 0.22 2.02 -0.30 0.45 112.91 117.45 2jzi h THR 70 Ca 0.20 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.29 2jzi h THR 70 Cb 0.11 0.86 0.01 0.00 -1.74 0.00 0.00 68.15 67.39 2jzi h THR 70 CO -0.14 0.03 -0.31 -0.03 0.37 0.00 0.00 175.52 175.44 2jzi h MET 71 N 0.16 -0.84 0.00 6.66 -1.53 0.13 -3.12 114.93 116.40 2jzi h MET 71 Ca 0.04 0.06 -0.06 0.00 -3.44 0.00 0.00 59.70 56.30 2jzi h MET 71 Cb -0.01 0.19 -0.01 0.00 -0.55 0.00 0.00 31.60 31.22 2jzi h MET 71 CO -0.01 -0.56 -0.28 0.52 0.14 0.00 0.00 176.91 176.73 2jzi h MET 72 N -1.05 0.00 -0.03 0.39 2.86 -1.14 -2.36 114.93 113.59 2jzi h MET 72 Ca -0.09 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2jzi h MET 72 Cb 0.67 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.32 2jzi h MET 72 CO 0.15 0.28 0.12 0.00 1.06 0.00 0.00 176.91 178.51 2jzi h ALA 73 N 1.72 1.28 -0.58 6.32 0.00 -0.07 -3.41 119.26 124.53 2jzi h ALA 73 Ca -0.00 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 2jzi h ALA 73 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2jzi h ALA 73 CO 0.04 -0.14 1.35 -2.13 0.00 0.00 0.00 179.25 178.37 2jzi n ARG 74 N -3.24 0.45 0.29 0.00 3.00 -0.89 -4.53 116.66 111.74 2jzi n ARG 74 Ca -0.02 -0.21 0.19 0.00 -0.00 0.00 0.00 57.85 57.81 2jzi n ARG 74 Cb 0.19 -2.54 0.97 0.00 0.00 0.00 0.00 32.46 31.09 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 14.33 0.00 0.00 -0.14 1.63 -1.91 -1.51 116.57 128.97 2jzi h LYS 75 Ca -0.08 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.62 2jzi h LYS 75 Cb 1.19 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.80 2jzi h LYS 75 CO 1.27 0.00 -0.50 1.98 -3.45 0.00 0.00 179.45 178.75 2jzi h MET 76 N 0.00 0.00 -4.74 1.90 4.05 -1.95 -3.35 114.93 110.83 2jzi h MET 76 Ca 0.00 0.00 -0.74 0.00 -0.28 0.00 0.00 59.70 58.68 2jzi h MET 76 Cb 0.12 0.00 -0.17 0.00 -0.80 0.00 0.00 31.60 30.75 2jzi h MET 76 CO 0.00 0.50 1.47 1.63 0.23 0.00 0.00 176.91 180.74 2jzi n LYS 77 N -3.89 3.37 -0.97 0.39 5.02 -0.57 -4.96 118.16 116.55 2jzi n LYS 77 Ca -0.01 -3.79 0.00 0.00 -2.02 0.00 0.00 58.31 52.49 2jzi n LYS 77 Cb 0.52 -3.07 0.00 0.00 -0.02 0.00 0.00 35.03 32.47 2jzi n LYS 77 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2jzi n ASP 78 N 5.71 0.67 -0.62 4.39 2.03 -1.26 -4.97 116.55 122.50 2jzi n ASP 78 Ca 0.38 -0.73 0.00 0.00 0.52 0.00 0.00 54.79 54.96 2jzi n ASP 78 Cb 0.42 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.82 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 -0.49 0.00 -2.38 5.18 -1.04 -1.26 -4.91 114.28 109.39 2jzi n THR 79 Ca 0.00 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.84 2jzi n THR 79 Cb 0.00 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 -2.38 -5.03 0.08 8.00 8.00 -1.26 -4.89 116.55 119.08 2jzi n ASP 80 Ca 0.00 -0.04 -0.05 0.00 0.71 0.00 0.00 54.79 55.41 2jzi n ASP 80 Cb 0.00 -4.10 -0.03 0.00 -0.02 0.00 0.00 41.12 36.97 2jzi n ASP 80 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 2jzi h SER 81 N -0.11 0.02 1.06 -2.24 4.64 -2.02 -3.24 113.55 111.65 2jzi h SER 81 Ca -0.41 -0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 60.70 2jzi h SER 81 Cb 1.30 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.36 2jzi h SER 81 CO 0.47 0.89 -0.96 -0.33 -0.87 0.00 0.00 176.83 176.04 2jzi h GLU 82 N 0.01 0.00 0.01 4.77 4.39 -2.02 -3.35 114.58 118.39 2jzi h GLU 82 Ca -0.01 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.72 2jzi h GLU 82 Cb 1.56 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 30.16 2jzi h GLU 82 CO 0.12 0.88 -0.28 0.93 -1.16 0.00 0.00 179.01 179.50 2jzi h GLU 83 N 0.00 -0.41 -0.68 2.33 4.39 -1.96 -0.91 114.58 117.34 2jzi h GLU 83 Ca -0.02 0.03 0.20 0.00 0.34 0.00 0.00 59.36 59.90 2jzi h GLU 83 Cb 1.71 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 30.43 2jzi h GLU 83 CO 0.12 -0.27 0.51 1.05 -1.16 0.00 0.00 179.01 179.25 2jzi h GLU 84 N -0.43 0.00 0.10 2.33 -0.00 -1.69 0.58 114.58 115.47 2jzi h GLU 84 Ca 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.42 2jzi h GLU 84 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.26 2jzi h GLU 84 CO -0.23 0.00 -0.05 0.82 -0.00 0.00 0.00 179.01 179.55 2jzi h ILE 85 N 0.00 1.04 0.01 -1.06 2.04 -1.32 -0.02 117.51 118.21 2jzi h ILE 85 Ca 0.32 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 2jzi h ILE 85 Cb 1.34 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.80 2jzi h ILE 85 CO -0.00 0.13 -0.01 0.03 0.00 0.00 0.00 178.15 178.30 2jzi h ARG 86 N -0.37 -0.02 -0.65 2.37 -0.00 -1.00 -3.06 114.38 111.65 2jzi h ARG 86 Ca -0.01 0.00 0.18 0.00 -0.50 0.00 0.00 59.98 59.64 2jzi h ARG 86 Cb 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.25 2jzi h ARG 86 CO 0.02 0.72 0.46 0.93 0.00 0.00 0.00 179.97 182.11 2jzi h GLU 87 N -0.80 0.08 -0.26 0.04 5.08 0.02 0.14 114.58 118.88 2jzi h GLU 87 Ca -0.00 -0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 2jzi h GLU 87 Cb 0.75 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 2jzi h GLU 87 CO 0.00 0.05 -0.53 0.00 -1.00 0.00 0.00 179.01 177.53 2jzi h ALA 88 N 1.68 0.57 0.40 3.43 0.00 -1.01 -2.54 119.26 121.78 2jzi h ALA 88 Ca 0.31 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2jzi h ALA 88 Cb 1.14 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2jzi h ALA 88 CO -0.03 0.68 -0.19 0.35 0.00 0.00 0.00 179.25 180.06 2jzi h PHE 89 N 0.59 -0.50 -0.66 0.00 3.57 -0.66 0.62 116.94 119.91 2jzi h PHE 89 Ca 0.02 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.69 2jzi h PHE 89 Cb 1.11 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.99 2jzi h PHE 89 CO 0.06 -0.17 0.47 0.07 -2.23 0.00 0.00 178.31 176.51 2jzi h ARG 90 N -0.89 0.06 0.00 1.11 0.11 -1.34 0.45 114.38 113.89 2jzi h ARG 90 Ca -0.05 -0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.94 2jzi h ARG 90 Cb 0.55 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.60 2jzi h ARG 90 CO 0.09 0.04 -1.06 0.28 0.10 0.00 0.00 179.97 179.42 2jzi h VAL 91 N 0.06 0.29 -0.59 0.08 2.07 -1.32 -3.34 116.25 113.51 2jzi h VAL 91 Ca 0.32 -1.53 0.13 0.00 0.82 0.00 0.00 66.70 66.44 2jzi h VAL 91 Cb 1.18 1.85 -0.03 0.00 -1.52 0.00 0.00 31.29 32.76 2jzi h VAL 91 CO -0.02 0.17 0.41 0.15 0.02 0.00 0.00 177.57 178.29 2jzi h PHE 92 N 0.00 0.24 -3.00 1.57 3.57 0.51 -3.41 116.94 116.42 2jzi h PHE 92 Ca -0.07 0.01 -0.63 0.00 3.53 0.00 0.00 57.97 60.80 2jzi h PHE 92 Cb 1.28 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.88 2jzi h PHE 92 CO 0.00 0.10 -0.54 0.34 -2.23 0.00 0.00 178.31 175.98 2jzi s ASP 93 N -6.18 6.03 0.19 0.41 -1.08 -1.16 -4.68 116.67 110.20 2jzi s ASP 93 Ca -0.06 0.18 -0.06 0.00 -0.52 0.00 0.00 52.55 52.09 2jzi s ASP 93 Cb 0.20 -1.78 0.10 0.00 -1.46 0.00 0.00 42.92 39.97 2jzi s ASP 93 CO 0.74 0.20 1.54 0.11 0.52 0.00 0.00 175.17 178.28 2jzi h LYS 94 N 3.38 0.74 -0.00 4.34 1.57 -1.88 -3.30 116.57 121.42 2jzi h LYS 94 Ca -0.47 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 57.93 2jzi h LYS 94 Cb 1.17 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2jzi h LYS 94 CO 0.70 1.00 -0.38 -0.40 -0.57 0.00 0.00 179.45 179.80 2jzi n ASP 95 N -4.04 0.42 -0.02 0.86 5.68 -1.26 -5.01 116.55 113.17 2jzi n ASP 95 Ca -0.02 -0.71 0.00 0.00 -0.50 0.00 0.00 54.79 53.56 2jzi n ASP 95 Cb 0.53 0.98 0.00 0.00 -1.14 0.00 0.00 41.12 41.49 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 0.61 0.11 6.12 0.00 -1.24 -4.93 105.19 107.03 2jzi n GLY 96 Ca 0.02 -0.76 0.10 0.00 0.00 0.00 0.00 46.02 45.38 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 1.71 0.51 0.00 1.61 5.03 -1.26 -4.83 115.26 118.03 2jzi n ASN 97 Ca 0.00 0.65 0.00 0.00 0.87 0.00 0.00 54.58 56.10 2jzi n ASN 97 Cb 0.43 -0.75 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 -0.34 1.30 3.20 7.41 0.00 -1.26 -5.06 105.19 110.44 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 -2.29 1.54 -0.26 1.61 2.02 -1.26 -3.48 117.35 115.24 2jzi s TYR 99 Ca 0.00 -0.36 0.03 0.00 -0.37 0.00 0.00 57.07 56.36 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 0.07 -0.10 0.96 -1.57 0.00 0.00 175.55 174.91 2jzi s ILE 100 N -0.83 2.05 0.88 2.71 -4.36 -1.25 -4.73 121.20 115.66 2jzi s ILE 100 Ca 0.05 -1.56 -0.11 0.00 -0.26 0.00 0.00 60.65 58.76 2jzi s ILE 100 Cb -0.08 -2.19 0.17 0.00 1.25 0.00 0.00 42.46 41.61 2jzi s ILE 100 CO 0.02 -0.05 1.22 -0.94 0.24 0.00 0.00 174.94 175.43 2jzi s SER 101 N 1.16 3.56 0.46 4.36 1.04 -1.26 -4.25 113.70 118.76 2jzi s SER 101 Ca -0.08 0.12 0.17 0.00 0.48 0.00 0.00 55.95 56.64 2jzi s SER 101 Cb -0.20 -0.29 1.07 0.00 0.10 0.00 0.00 66.02 66.70 2jzi s SER 101 CO -0.05 -2.43 1.99 0.00 0.98 0.00 0.00 173.24 173.73 2jzi h ALA 102 N -1.29 1.59 0.65 5.32 0.00 -1.89 0.43 119.26 124.07 2jzi h ALA 102 Ca -0.42 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.29 2jzi h ALA 102 Cb 1.25 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.02 2jzi h ALA 102 CO 0.40 0.23 -0.31 0.00 0.00 0.00 0.00 179.25 179.58 2jzi h ALA 103 N 1.81 -0.87 0.02 0.00 0.00 -1.98 -1.74 119.26 116.51 2jzi h ALA 103 Ca -0.00 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.50 2jzi h ALA 103 Cb 0.35 0.34 0.02 0.00 0.00 0.00 0.00 17.79 18.50 2jzi h ALA 103 CO 0.02 -0.90 -0.78 0.93 0.00 0.00 0.00 179.25 178.53 2jzi h GLU 104 N -1.04 0.49 -0.39 0.00 4.39 -1.91 -3.12 114.58 112.99 2jzi h GLU 104 Ca -0.09 -0.55 0.09 0.00 0.34 0.00 0.00 59.36 59.15 2jzi h GLU 104 Cb 0.71 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.50 2jzi h GLU 104 CO 0.15 1.19 0.27 1.25 -1.16 0.00 0.00 179.01 180.71 2jzi h LEU 105 N 0.02 0.12 -0.02 1.33 5.85 -0.23 -0.63 115.31 121.75 2jzi h LEU 105 Ca -0.10 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 2jzi h LEU 105 Cb 1.48 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.49 2jzi h LEU 105 CO 0.15 0.07 -0.05 -0.09 -0.34 0.00 0.00 178.44 178.18 2jzi h ARG 106 N 0.13 0.06 -0.62 1.25 2.43 -1.33 -0.32 114.38 115.98 2jzi h ARG 106 Ca 0.18 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 2jzi h ARG 106 Cb 0.55 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 2jzi h ARG 106 CO -0.02 0.67 0.36 0.45 -1.51 0.00 0.00 179.97 179.92 2jzi h HIS 107 N -0.54 0.82 -0.11 2.20 3.86 -1.35 0.64 115.15 120.67 2jzi h HIS 107 Ca -0.00 -0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.08 2jzi h HIS 107 Cb 0.68 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.88 2jzi h HIS 107 CO 0.14 0.56 -0.42 0.28 0.86 0.00 0.00 177.93 179.35 2jzi h VAL 108 N 0.86 1.37 0.12 2.45 2.07 -1.15 -2.52 116.25 119.45 2jzi h VAL 108 Ca 0.22 -1.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.00 2jzi h VAL 108 Cb -0.01 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 2jzi h VAL 108 CO -0.04 0.52 -0.06 0.24 0.02 0.00 0.00 177.57 178.25 2jzi h MET 109 N 0.08 -0.16 -0.57 1.57 2.07 -0.71 -3.01 114.93 114.20 2jzi h MET 109 Ca -0.02 0.01 0.07 0.00 -2.07 0.00 0.00 59.70 57.69 2jzi h MET 109 Cb 1.05 0.04 -0.06 0.00 -1.87 0.00 0.00 31.60 30.76 2jzi h MET 109 CO 0.09 0.31 0.25 1.15 1.07 0.00 0.00 176.91 179.78 2jzi h THR 110 N -0.87 0.87 0.00 2.22 2.02 0.20 1.07 112.91 118.43 2jzi h THR 110 Ca -0.02 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 2jzi h THR 110 Cb 0.54 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 2jzi h THR 110 CO 0.03 0.09 -0.01 0.78 0.37 0.00 0.00 175.52 176.77 2jzi h ASN 111 N 0.47 0.00 -0.60 4.18 4.21 -1.56 -2.50 115.58 119.79 2jzi h ASN 111 Ca 0.27 0.00 -0.43 0.00 1.21 0.00 0.00 56.30 57.35 2jzi h ASN 111 Cb 0.25 0.00 -0.38 0.00 -1.12 0.00 0.00 38.32 37.08 2jzi h ASN 111 CO -0.23 0.01 -0.84 0.18 -1.29 0.00 0.00 177.43 175.27 2jzi n LEU 112 N -4.50 4.08 0.00 1.61 4.32 -0.17 -4.77 117.00 117.57 2jzi n LEU 112 Ca -0.03 -4.33 0.00 0.00 -0.02 0.00 0.00 56.01 51.63 2jzi n LEU 112 Cb 0.10 -0.23 0.00 0.00 -1.62 0.00 0.00 43.42 41.67 2jzi n LEU 112 CO 0.34 1.83 0.00 0.61 -1.22 0.00 0.00 177.39 178.95 2jzi n GLY 113 N -0.71 0.52 3.37 -0.72 0.00 0.35 -4.90 105.19 103.10 2jzi n GLY 113 Ca 0.35 0.48 -0.19 0.00 0.00 0.00 0.00 46.02 46.66 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 2.68 1.53 -0.69 1.61 -1.05 -1.25 -4.88 118.70 116.65 2jzi s GLU 114 Ca 0.00 -1.85 -0.27 0.00 -0.15 0.00 0.00 54.97 52.71 2jzi s GLU 114 Cb 0.00 -0.47 0.00 0.00 -0.44 0.00 0.00 34.13 33.23 2jzi s GLU 114 CO 0.00 -0.28 1.57 0.21 0.95 0.00 0.00 175.26 177.71 2jzi s LYS 115 N -3.95 2.92 -0.36 -4.83 2.20 -1.26 -3.76 119.74 110.69 2jzi s LYS 115 Ca 0.36 0.15 -0.21 0.00 -0.36 0.00 0.00 55.97 55.91 2jzi s LYS 115 Cb 0.08 -4.31 0.01 0.00 -1.51 0.00 0.00 37.83 32.09 2jzi s LYS 115 CO 0.15 -2.45 0.69 -0.48 -0.36 0.00 0.00 175.35 172.89 2jzi s LEU 116 N 7.39 4.22 1.10 5.43 2.34 -1.26 -5.03 118.68 132.88 2jzi s LEU 116 Ca 0.51 0.20 -0.17 0.00 0.06 0.00 0.00 54.13 54.73 2jzi s LEU 116 Cb -0.10 -2.86 0.24 0.00 -0.56 0.00 0.00 46.19 42.90 2jzi s LEU 116 CO 0.17 -0.65 1.14 -0.89 -1.06 0.00 0.00 176.35 175.06 2jzi s THR 117 N 2.85 1.78 0.41 5.48 2.01 -1.26 -4.34 115.64 122.57 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 -2.59 0.41 0.00 0.01 0.00 0.00 72.50 70.20 2jzi s THR 117 CO 0.16 0.00 1.76 0.44 -0.69 0.00 0.00 174.62 176.28 2jzi h ASP 118 N -2.21 0.39 0.48 3.53 3.32 -1.98 0.83 116.42 120.78 2jzi h ASP 118 Ca -0.48 0.08 -0.24 0.00 0.02 0.00 0.00 57.03 56.42 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 0.43 0.05 -1.04 -0.33 -1.72 0.00 0.00 179.24 176.62 2jzi h GLU 119 N 0.33 0.33 -0.08 3.56 4.39 -1.98 -0.94 114.58 120.19 2jzi h GLU 119 Ca 0.62 -0.42 -0.16 0.00 0.34 0.00 0.00 59.36 59.74 2jzi h GLU 119 Cb 1.68 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 30.46 2jzi h GLU 119 CO -0.29 1.13 -0.65 0.93 -1.16 0.00 0.00 179.01 178.96 2jzi h GLU 120 N 0.16 0.31 -0.01 2.33 4.39 -0.28 -0.03 114.58 121.45 2jzi h GLU 120 Ca -0.09 -0.23 -0.03 0.00 0.34 0.00 0.00 59.36 59.35 2jzi h GLU 120 Cb 1.71 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.40 2jzi h GLU 120 CO 0.17 0.85 -0.11 0.28 -1.16 0.00 0.00 179.01 179.05 2jzi h VAL 121 N 0.22 1.55 0.24 3.13 2.07 0.35 -2.74 116.25 121.08 2jzi h VAL 121 Ca -0.01 -1.77 -0.01 0.00 0.82 0.00 0.00 66.70 65.73 2jzi h VAL 121 Cb 1.19 2.69 -0.00 0.00 -1.52 0.00 0.00 31.29 33.65 2jzi h VAL 121 CO 0.11 0.47 -0.15 0.44 0.02 0.00 0.00 177.57 178.46 2jzi h ASP 122 N -0.59 -0.37 -0.27 0.57 5.19 -1.19 -0.27 116.42 119.49 2jzi h ASP 122 Ca -0.01 0.02 0.08 0.00 -0.62 0.00 0.00 57.03 56.50 2jzi h ASP 122 Cb 0.83 0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.44 2jzi h ASP 122 CO 0.02 -0.24 0.21 1.05 -3.12 0.00 0.00 179.24 177.16 2jzi h GLU 123 N -0.38 0.00 0.02 3.56 -0.00 -1.10 -0.04 114.58 116.64 2jzi h GLU 123 Ca -0.02 0.00 -0.26 0.00 -0.00 0.00 0.00 59.36 59.07 2jzi h GLU 123 Cb 0.31 0.00 0.02 0.00 -0.00 0.00 0.00 28.75 29.08 2jzi h GLU 123 CO 0.02 0.00 -1.06 1.98 -0.00 0.00 0.00 179.01 179.96 2jzi h MET 124 N 0.00 0.60 -0.09 1.06 4.05 -1.04 -2.88 114.93 116.64 2jzi h MET 124 Ca 0.13 -0.68 -0.02 0.00 -0.28 0.00 0.00 59.70 58.85 2jzi h MET 124 Cb 0.55 0.20 -0.00 0.00 -0.80 0.00 0.00 31.60 31.54 2jzi h MET 124 CO -0.00 1.27 -0.01 0.82 0.23 0.00 0.00 176.91 179.22 2jzi h ILE 125 N 0.32 1.27 -0.97 1.77 2.04 0.62 0.38 117.51 122.95 2jzi h ILE 125 Ca -0.13 -0.88 0.01 0.00 1.00 0.00 0.00 64.86 64.86 2jzi h ILE 125 Cb 1.71 1.68 -0.05 0.00 -0.74 0.00 0.00 36.82 39.42 2jzi h ILE 125 CO 0.20 0.25 0.63 0.03 0.00 0.00 0.00 178.15 179.25 2jzi h ARG 126 N -0.14 1.29 0.18 2.37 3.08 -1.18 0.29 114.38 120.27 2jzi h ARG 126 Ca 0.02 -0.09 -0.31 0.00 0.07 0.00 0.00 59.98 59.68 2jzi h ARG 126 Cb 0.39 -0.28 0.02 0.00 0.08 0.00 0.00 29.97 30.17 2jzi h ARG 126 CO 0.01 0.86 -1.40 1.05 -1.07 0.00 0.00 179.97 179.42 2jzi h GLU 127 N 1.32 0.37 -0.35 0.04 4.11 -1.49 -3.30 114.58 115.28 2jzi h GLU 127 Ca 0.35 -0.64 -0.10 0.00 0.07 0.00 0.00 59.36 59.05 2jzi h GLU 127 Cb -0.13 0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2jzi h GLU 127 CO -0.07 1.29 -0.18 0.00 0.07 0.00 0.00 179.01 180.12 2jzi h ALA 128 N 0.39 1.03 -2.93 1.06 0.00 0.01 -3.43 119.26 115.39 2jzi h ALA 128 Ca -0.20 -0.33 -0.64 0.00 0.00 0.00 0.00 54.91 53.74 2jzi h ALA 128 Cb 2.06 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 19.64 2jzi h ALA 128 CO 0.22 0.58 -0.52 0.34 0.00 0.00 0.00 179.25 179.88 2jzi s ASP 129 N -6.75 6.15 -0.05 0.00 2.15 0.10 -4.25 116.67 114.02 2jzi s ASP 129 Ca -0.08 0.25 -0.13 0.00 0.43 0.00 0.00 52.55 53.02 2jzi s ASP 129 Cb 0.14 -1.87 -0.31 0.00 -0.30 0.00 0.00 42.92 40.58 2jzi s ASP 129 CO 0.81 0.23 0.69 0.16 -0.17 0.00 0.00 175.17 176.89 2jzi h ILE 130 N 2.64 1.00 0.00 4.11 3.07 -1.84 -3.30 117.51 123.19 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 40.52 2jzi h ILE 130 CO 0.70 0.83 0.00 0.47 -1.05 0.00 0.00 178.15 179.10 2jzi n ASP 131 N -3.67 0.14 -3.02 2.16 9.92 -1.26 -4.83 116.55 116.00 2jzi n ASP 131 Ca -0.24 0.54 -0.13 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 -0.15 -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 -1.81 0.67 0.00 1.61 5.75 -1.26 -4.97 116.55 116.54 2jzi n ASP 133 Ca 0.01 -0.48 0.00 0.00 -0.01 0.00 0.00 54.79 54.31 2jzi n ASP 133 Cb 0.50 0.92 0.00 0.00 -1.03 0.00 0.00 41.12 41.52 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 1.25 3.15 6.12 0.00 -1.26 -5.10 105.19 110.78 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 -0.01 0.47 -0.24 1.61 -2.07 -1.26 -4.37 119.66 113.80 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 -0.85 0.98 0.90 3.63 1.01 -1.26 -4.67 120.40 120.15 2jzi s VAL 136 Ca -0.09 -1.02 -0.14 0.00 0.00 0.00 0.00 61.98 60.72 2jzi s VAL 136 Cb -0.05 -1.48 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 0.00 175.10 176.30 2jzi s ASN 137 N 1.62 3.68 0.04 3.32 2.47 -1.23 -3.89 114.94 120.96 2jzi s ASN 137 Ca 0.00 0.46 -0.10 0.00 0.42 0.00 0.00 52.86 53.64 2jzi s ASN 137 Cb -0.18 -0.68 -0.03 0.00 -1.45 0.00 0.00 41.25 38.91 2jzi s ASN 137 CO -0.11 -2.40 1.16 0.22 -3.72 0.00 0.00 177.10 172.26 2jzi h TYR 138 N -1.39 -0.51 -0.43 0.43 3.20 -1.95 -1.16 116.97 115.15 2jzi h TYR 138 Ca -0.45 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.45 2jzi h TYR 138 Cb 1.27 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.76 2jzi h TYR 138 CO -0.57 -0.15 0.28 0.93 -1.64 0.00 0.00 178.16 177.02 2jzi h GLU 139 N -0.12 0.55 -0.96 1.82 5.08 -1.97 0.39 114.58 119.38 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 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.23 2jzi h GLU 139 CO -0.18 0.36 0.60 1.49 -1.00 0.00 0.00 179.01 180.29 2jzi h GLU 140 N 0.57 1.00 0.05 2.33 4.81 -1.65 -0.15 114.58 121.53 2jzi h GLU 140 Ca 0.16 -0.06 -0.23 0.00 -0.13 0.00 0.00 59.36 59.10 2jzi h GLU 140 Cb -0.05 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 2jzi h GLU 140 CO -0.04 0.66 -1.06 0.35 -0.73 0.00 0.00 179.01 178.19 2jzi h PHE 141 N 1.03 0.29 -0.47 0.92 3.57 -0.14 -3.30 116.94 118.84 2jzi h PHE 141 Ca 0.44 -0.20 0.06 0.00 3.53 0.00 0.00 57.97 61.81 2jzi h PHE 141 Cb 0.31 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.98 2jzi h PHE 141 CO -0.02 1.11 0.16 0.28 -2.23 0.00 0.00 178.31 177.61 2jzi h VAL 142 N 0.06 0.83 -0.53 1.41 2.07 0.76 0.79 116.25 121.64 2jzi h VAL 142 Ca -0.07 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.38 2jzi h VAL 142 Cb 1.78 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 2jzi h VAL 142 CO 0.16 0.06 0.29 1.56 0.02 0.00 0.00 177.57 179.66 2jzi h GLN 143 N 0.32 0.55 -0.06 1.57 4.20 -1.28 -1.78 115.11 118.65 2jzi h GLN 143 Ca 0.23 -0.03 -0.16 0.00 0.06 0.00 0.00 58.65 58.74 2jzi h GLN 143 Cb 0.24 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 2jzi h GLN 143 CO -0.24 0.37 -0.68 1.98 -0.67 0.00 0.00 178.83 179.58 2jzi h MET 144 N 0.57 0.26 -0.82 1.46 4.05 -1.45 -2.23 114.93 116.76 2jzi h MET 144 Ca 0.23 -0.20 0.02 0.00 -0.28 0.00 0.00 59.70 59.46 2jzi h MET 144 Cb 0.09 0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.89 2jzi h MET 144 CO -0.13 0.84 0.54 1.98 0.23 0.00 0.00 176.91 180.36 2jzi h MET 145 N 0.18 1.04 0.02 0.39 -1.53 0.12 -2.45 114.93 112.71 2jzi h MET 145 Ca -0.02 -0.06 -0.21 0.00 -3.44 0.00 0.00 59.70 55.97 2jzi h MET 145 Cb 1.23 -0.23 -0.02 0.00 -0.55 0.00 0.00 31.60 32.02 2jzi h MET 145 CO 0.11 0.69 -0.99 0.00 0.14 0.00 0.00 176.91 176.86 2jzi h THR 146 N 1.07 1.62 -4.10 -0.77 1.03 -1.32 -3.46 112.91 106.99 2jzi h THR 146 Ca 0.31 -3.13 -0.56 0.00 -0.01 0.00 0.00 66.41 63.03 2jzi h THR 146 Cb -0.07 2.74 0.17 0.00 -1.07 0.00 0.00 68.15 69.92 2jzi h THR 146 CO -0.09 0.90 0.45 0.00 -0.01 0.00 0.00 175.52 176.77 2jzi n ALA 147 N -2.40 0.84 -1.18 0.00 0.00 -0.84 -5.12 120.51 111.80 2jzi n ALA 147 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2jzi n ALA 147 Cb 0.90 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 18.06 2jzi n ALA 147 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86