#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zit s LYS 2 N 0.00 0.51 -0.05 0.03 3.01 -1.26 -5.13 119.74 116.84 1zit s LYS 2 Ca 0.00 1.28 -0.05 0.00 -1.01 0.00 0.00 55.97 56.19 1zit s LYS 2 Cb 0.00 0.59 0.01 0.00 -1.01 0.00 0.00 37.83 37.43 1zit s LYS 2 CO 0.00 -0.21 0.14 1.03 0.51 0.00 0.00 175.35 176.83 1zit s ARG 3 N 2.60 0.17 0.13 1.68 3.00 -1.26 -1.34 118.95 123.93 1zit s ARG 3 Ca -0.05 0.20 0.06 0.00 0.00 0.00 0.00 55.73 55.94 1zit s ARG 3 Cb -0.11 0.08 -0.04 0.00 0.00 0.00 0.00 34.95 34.88 1zit s ARG 3 CO -0.17 -0.02 -0.15 0.08 0.00 0.00 0.00 175.30 175.04 1zit s VAL 4 N 0.08 1.43 -0.09 3.52 1.01 -0.81 -3.77 120.40 121.76 1zit s VAL 4 Ca -0.00 -1.79 0.02 0.00 0.00 0.00 0.00 61.98 60.22 1zit s VAL 4 Cb -0.01 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 1zit s VAL 4 CO 0.00 -0.42 -0.16 -0.22 0.00 0.00 0.00 175.10 174.31 1zit s LEU 5 N -2.56 2.61 -0.32 3.92 2.96 0.24 -2.08 118.68 123.46 1zit s LEU 5 Ca 0.11 -0.31 0.04 0.00 -0.22 0.00 0.00 54.13 53.74 1zit s LEU 5 Cb -0.05 -1.55 0.09 0.00 0.50 0.00 0.00 46.19 45.19 1zit s LEU 5 CO 0.04 0.25 0.01 -0.69 -1.32 0.00 0.00 176.35 174.63 1zit s VAL 6 N -0.14 2.21 -0.30 1.68 1.01 -1.25 -0.49 120.40 123.12 1zit s VAL 6 Ca -0.02 -2.14 -0.18 0.00 0.00 0.00 0.00 61.98 59.65 1zit s VAL 6 Cb -0.14 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 1zit s VAL 6 CO 0.04 -0.45 0.50 -0.69 0.00 0.00 0.00 175.10 174.49 1zit s VAL 7 N 0.97 5.05 0.11 2.92 1.01 0.26 0.11 120.40 130.83 1zit s VAL 7 Ca 0.06 0.61 -0.24 0.00 0.00 0.00 0.00 61.98 62.41 1zit s VAL 7 Cb -0.19 -3.88 0.07 0.00 0.00 0.00 0.00 36.38 32.38 1zit s VAL 7 CO -0.08 -0.04 0.60 -0.62 0.00 0.00 0.00 175.10 174.96 1zit s ASP 8 N 1.66 -0.57 -0.51 3.32 2.15 -1.25 0.52 116.67 121.99 1zit s ASP 8 Ca 0.20 0.16 -0.04 0.00 0.43 0.00 0.00 52.55 53.29 1zit s ASP 8 Cb -0.15 0.57 0.04 0.00 -0.30 0.00 0.00 42.92 43.08 1zit s ASP 8 CO 0.11 -0.87 2.81 -0.67 -0.17 0.00 0.00 175.17 176.38 1zit n ASP 9 N -0.04 6.54 -4.07 -0.34 2.03 -1.04 -3.34 116.55 116.28 1zit n ASP 9 Ca -0.17 -3.13 -0.22 0.00 0.52 0.00 0.00 54.79 51.78 1zit n ASP 9 Cb 0.63 -1.27 -0.15 0.00 -0.72 0.00 0.00 41.12 39.61 1zit n ASP 9 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1zit s GLU 10 N -1.39 1.20 0.34 -0.67 2.02 -1.26 -4.64 118.70 114.30 1zit s GLU 10 Ca 0.59 -0.45 -0.08 0.00 0.02 0.00 0.00 54.97 55.05 1zit s GLU 10 Cb 0.36 -1.11 -0.06 0.00 0.10 0.00 0.00 34.13 33.41 1zit s GLU 10 CO -0.19 0.22 0.67 -1.21 0.02 0.00 0.00 175.26 174.77 1zit s GLU 11 N -0.07 3.73 -0.98 1.61 8.01 -1.26 -4.39 118.70 125.35 1zit s GLU 11 Ca 0.00 0.28 -0.02 0.00 0.01 0.00 0.00 54.97 55.24 1zit s GLU 11 Cb -0.08 -2.51 -0.02 0.00 -4.31 0.00 0.00 34.13 27.21 1zit s GLU 11 CO 0.00 0.10 0.83 0.43 0.01 0.00 0.00 175.26 176.63 1zit n SER 12 N -1.03 -3.28 -1.34 -0.19 7.64 -1.26 -4.77 113.62 109.39 1zit n SER 12 Ca 0.01 -0.55 0.16 0.00 1.01 0.00 0.00 58.87 59.49 1zit n SER 12 Cb 0.54 -4.48 -0.06 0.00 -1.01 0.00 0.00 64.21 59.20 1zit n SER 12 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1zit n ILE 13 N -3.45 -0.17 -3.12 0.44 2.08 -1.26 -4.69 119.36 109.19 1zit n ILE 13 Ca -0.19 0.51 -0.41 0.00 0.56 0.00 0.00 62.75 63.23 1zit n ILE 13 Cb 0.63 -0.94 -0.07 0.00 -0.75 0.00 0.00 39.64 38.52 1zit n ILE 13 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1zit s THR 14 N -3.49 4.97 0.34 1.39 -4.23 -1.26 -4.95 115.64 108.41 1zit s THR 14 Ca 0.00 0.96 -0.26 0.00 -1.18 0.00 0.00 61.69 61.21 1zit s THR 14 Cb 0.00 -3.96 -0.13 0.00 1.34 0.00 0.00 72.50 69.75 1zit s THR 14 CO 0.00 -0.06 0.94 -1.54 -0.54 0.00 0.00 174.62 173.42 1zit n SER 15 N 5.79 0.96 0.00 3.99 3.41 -1.26 -1.56 113.62 124.94 1zit n SER 15 Ca -0.01 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.70 1zit n SER 15 Cb 0.49 -1.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.16 1zit n SER 15 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1zit n SER 16 N 1.05 0.00 -0.05 4.04 7.64 -1.26 -4.80 113.62 120.23 1zit n SER 16 Ca 0.10 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.77 1zit n SER 16 Cb 0.35 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.42 1zit n SER 16 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1zit h LEU 17 N 0.00 0.16 -0.62 -3.43 -0.00 -1.71 -3.19 115.31 106.53 1zit h LEU 17 Ca 0.00 -0.74 0.13 0.00 -0.00 0.00 0.00 57.88 57.27 1zit h LEU 17 Cb 0.00 -0.05 -0.10 0.00 -0.00 0.00 0.00 40.66 40.51 1zit h LEU 17 CO 0.00 1.48 0.07 -1.28 -0.00 0.00 0.00 178.44 178.71 1zit h SER 18 N -0.68 -0.14 -0.12 -0.43 0.87 -1.87 0.15 113.55 111.33 1zit h SER 18 Ca -0.28 0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.40 1zit h SER 18 Cb 1.47 0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 63.64 1zit h SER 18 CO -0.06 -0.06 0.02 0.00 -0.53 0.00 0.00 176.83 176.20 1zit h ALA 19 N 1.53 0.16 -0.29 6.23 0.00 -1.91 -2.01 119.26 122.97 1zit h ALA 19 Ca 0.33 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1zit h ALA 19 Cb 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1zit h ALA 19 CO -0.48 -0.20 0.00 -0.89 0.00 0.00 0.00 179.25 177.68 1zit n ILE 20 N -4.84 0.00 -0.43 0.00 5.41 -0.69 -1.08 119.36 117.72 1zit n ILE 20 Ca -0.06 1.45 0.37 0.00 1.00 0.00 0.00 62.75 65.51 1zit n ILE 20 Cb 0.16 -2.40 0.69 0.00 -0.71 0.00 0.00 39.64 37.38 1zit n ILE 20 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1zit h LEU 21 N 0.00 0.15 -0.70 1.39 3.38 -0.86 1.37 115.31 120.04 1zit h LEU 21 Ca 0.00 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1zit h LEU 21 Cb 0.00 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1zit h LEU 21 CO 0.00 -0.03 -0.64 -0.33 0.09 0.00 0.00 178.44 177.53 1zit h GLU 22 N 0.10 0.00 0.12 1.13 5.08 -1.08 0.34 114.58 120.27 1zit h GLU 22 Ca 0.71 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.77 1zit h GLU 22 Cb 2.50 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.75 1zit h GLU 22 CO -0.17 0.64 -1.49 1.49 -1.00 0.00 0.00 179.01 178.48 1zit h GLU 23 N 0.00 0.26 -0.02 2.33 4.81 0.33 -3.33 114.58 118.96 1zit h GLU 23 Ca -0.01 -0.45 -0.21 0.00 -0.13 0.00 0.00 59.36 58.56 1zit h GLU 23 Cb 1.15 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1zit h GLU 23 CO 0.08 1.14 -0.89 0.93 -0.73 0.00 0.00 179.01 179.54 1zit h GLU 24 N 0.07 0.40 -0.20 1.92 4.39 -0.81 -3.48 114.58 116.87 1zit h GLU 24 Ca -0.23 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.07 1zit h GLU 24 Cb 2.01 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.77 1zit h GLU 24 CO 0.17 1.07 0.00 0.41 -1.16 0.00 0.00 179.01 179.50 1zit n GLY 25 N 0.85 0.77 2.27 -3.84 0.00 -0.02 -5.08 105.19 100.14 1zit n GLY 25 Ca -0.06 -0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 1zit n GLY 25 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1zit n TYR 26 N -0.26 -2.10 -3.75 1.61 4.01 -0.42 -4.84 117.16 111.41 1zit n TYR 26 Ca 0.00 -1.28 -0.28 0.00 -0.16 0.00 0.00 57.90 56.18 1zit n TYR 26 Cb 0.07 -0.30 -0.12 0.00 -0.31 0.00 0.00 39.34 38.68 1zit n TYR 26 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1zit s HIS 27 N -1.25 2.75 0.22 -0.72 2.46 -0.45 -4.84 115.29 113.46 1zit s HIS 27 Ca 0.30 -2.98 -0.25 0.00 0.47 0.00 0.00 55.06 52.61 1zit s HIS 27 Cb -0.02 -2.16 -0.09 0.00 -0.13 0.00 0.00 32.58 30.18 1zit s HIS 27 CO 0.19 -0.65 0.82 -1.25 -2.47 0.00 0.00 174.74 171.38 1zit s PRO 28 N -0.84 4.53 -0.42 2.88 0.04 -1.26 -1.93 135.00 138.00 1zit s PRO 28 Ca 0.26 1.16 0.09 0.00 0.04 0.00 0.00 61.00 62.55 1zit s PRO 28 Cb -0.05 -3.06 0.30 0.00 0.04 0.00 0.00 34.50 31.72 1zit s PRO 28 CO -0.15 0.46 0.66 -3.47 0.04 0.00 0.00 177.00 174.54 1zit n ASP 29 N 1.13 1.17 -4.69 6.66 -0.08 -0.88 -4.97 116.55 114.89 1zit n ASP 29 Ca -0.03 -2.98 -0.44 0.00 -1.51 0.00 0.00 54.79 49.83 1zit n ASP 29 Cb 0.49 -0.63 -0.03 0.00 2.34 0.00 0.00 41.12 43.30 1zit n ASP 29 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1zit n THR 30 N 0.77 0.66 -2.16 5.18 -2.24 -1.26 -3.93 114.28 111.30 1zit n THR 30 Ca 0.24 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1zit n THR 30 Cb 0.56 -1.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.17 1zit n THR 30 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1zit n ALA 31 N 2.47 0.00 0.00 6.98 0.00 0.30 -4.89 120.51 125.37 1zit n ALA 31 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1zit n ALA 31 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 1zit n ALA 31 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1zit n LYS 32 N -0.01 3.80 -3.84 0.00 5.02 -1.21 -3.80 118.16 118.13 1zit n LYS 32 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.22 1zit n LYS 32 Cb 0.00 -0.98 0.02 0.00 -0.02 0.00 0.00 35.03 34.05 1zit n LYS 32 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1zit s THR 33 N -1.97 0.00 0.23 -0.18 -4.23 -1.25 -2.51 115.64 105.73 1zit s THR 33 Ca 0.00 -0.84 -0.07 0.00 -1.18 0.00 0.00 61.69 59.60 1zit s THR 33 Cb 0.00 -2.92 0.21 0.00 1.34 0.00 0.00 72.50 71.13 1zit s THR 33 CO 0.00 0.00 1.86 -0.07 -0.54 0.00 0.00 174.62 175.87 1zit h LEU 34 N 2.00 1.12 0.14 4.79 3.38 -1.95 0.57 115.31 125.35 1zit h LEU 34 Ca -0.31 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 1zit h LEU 34 Cb 1.24 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1zit h LEU 34 CO 0.39 0.89 -0.08 -0.09 0.09 0.00 0.00 178.44 179.64 1zit h ARG 35 N 1.25 -0.20 -0.32 1.13 1.12 -2.00 0.55 114.38 115.92 1zit h ARG 35 Ca 0.32 0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 59.18 1zit h ARG 35 Cb 0.01 0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.00 1zit h ARG 35 CO -0.05 -0.13 0.12 0.93 -3.11 0.00 0.00 179.97 177.73 1zit h GLU 36 N -0.21 0.45 0.58 0.20 4.39 -1.89 -2.69 114.58 115.42 1zit h GLU 36 Ca -0.02 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 1zit h GLU 36 Cb 0.17 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1zit h GLU 36 CO 0.02 0.38 -0.28 0.00 -1.16 0.00 0.00 179.01 177.97 1zit h ALA 37 N 1.69 -0.78 -0.96 3.43 0.00 -0.19 -2.51 119.26 119.94 1zit h ALA 37 Ca 0.11 -0.20 0.26 0.00 0.00 0.00 0.00 54.91 55.09 1zit h ALA 37 Cb 0.10 0.30 -0.13 0.00 0.00 0.00 0.00 17.79 18.06 1zit h ALA 37 CO -0.01 -0.82 0.50 0.93 0.00 0.00 0.00 179.25 179.85 1zit h GLU 38 N -1.01 0.40 -0.66 0.00 5.08 -0.72 1.05 114.58 118.71 1zit h GLU 38 Ca -0.08 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1zit h GLU 38 Cb 0.66 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1zit h GLU 38 CO 0.13 0.26 0.44 -0.22 -1.00 0.00 0.00 179.01 178.62 1zit h LYS 39 N 0.41 0.87 -0.12 2.33 3.11 -1.36 0.92 116.57 122.74 1zit h LYS 39 Ca 0.65 -0.05 -0.12 0.00 -2.81 0.00 0.00 60.65 58.31 1zit h LYS 39 Cb 1.33 -0.20 0.00 0.00 -1.00 0.00 0.00 32.23 32.37 1zit h LYS 39 CO -0.55 0.58 -0.38 0.87 -2.81 0.00 0.00 179.45 177.15 1zit h LYS 40 N 0.90 0.47 0.00 1.90 1.57 0.72 -3.14 116.57 118.98 1zit h LYS 40 Ca 0.24 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1zit h LYS 40 Cb -0.10 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1zit h LYS 40 CO -0.05 0.97 0.00 0.82 -0.57 0.00 0.00 179.45 180.62 1zit h ILE 41 N 0.05 0.00 -0.11 1.86 2.04 0.10 -1.36 117.51 120.10 1zit h ILE 41 Ca -0.02 -0.55 0.03 0.00 1.00 0.00 0.00 64.86 65.33 1zit h ILE 41 Cb 1.01 1.54 -0.00 0.00 -0.74 0.00 0.00 36.82 38.63 1zit h ILE 41 CO 0.08 0.00 0.22 0.11 0.00 0.00 0.00 178.15 178.56 1zit h LYS 42 N 0.00 0.00 0.00 2.37 1.79 0.93 -3.36 116.57 118.31 1zit h LYS 42 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1zit h LYS 42 Cb 0.55 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 1zit h LYS 42 CO 0.00 0.00 -0.03 0.39 -1.08 0.00 0.00 179.45 178.73 1zit n GLU 43 N -3.40 0.00 -1.63 3.15 1.02 -1.14 -5.03 120.64 113.62 1zit n GLU 43 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 1zit n GLU 43 Cb 0.31 -0.25 -0.03 0.00 -0.02 0.00 0.00 31.44 31.45 1zit n GLU 43 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1zit n LEU 44 N -3.45 3.66 -3.60 -4.62 7.99 -0.52 -4.86 117.00 111.59 1zit n LEU 44 Ca 0.00 0.51 -0.41 0.00 -0.01 0.00 0.00 56.01 56.10 1zit n LEU 44 Cb 0.02 -1.54 -0.01 0.00 -0.11 0.00 0.00 43.42 41.77 1zit n LEU 44 CO 0.00 -0.30 2.89 0.33 -1.51 0.00 0.00 177.39 178.80 1zit n PHE 45 N 9.88 3.18 -1.70 -1.77 7.35 -1.26 -4.37 117.46 128.77 1zit n PHE 45 Ca 0.26 -2.99 -0.43 0.00 -0.76 0.00 0.00 57.45 53.52 1zit n PHE 45 Cb 0.43 -2.53 -0.03 0.00 0.35 0.00 0.00 39.48 37.71 1zit n PHE 45 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1zit n PHE 46 N 5.38 2.54 0.09 -5.13 3.72 -1.26 -4.91 117.46 117.89 1zit n PHE 46 Ca 0.60 0.24 -0.16 0.00 -0.05 0.00 0.00 57.45 58.08 1zit n PHE 46 Cb 0.34 -2.57 -0.09 0.00 -0.94 0.00 0.00 39.48 36.22 1zit n PHE 46 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1zit h PRO 47 N 5.43 0.38 -5.19 -1.08 0.14 -1.90 -3.44 132.00 126.35 1zit h PRO 47 Ca -0.45 -0.51 -0.57 0.00 0.14 0.00 0.00 66.00 64.62 1zit h PRO 47 Cb 1.24 0.17 -0.32 0.00 0.14 0.00 0.00 31.00 32.22 1zit h PRO 47 CO 0.85 1.19 -0.84 0.08 0.14 0.00 0.00 178.00 179.42 1zit s VAL 48 N -2.99 1.45 -0.29 1.56 1.01 -1.25 0.84 120.40 120.74 1zit s VAL 48 Ca -0.06 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 1zit s VAL 48 Cb 0.08 -1.26 0.09 0.00 0.00 0.00 0.00 36.38 35.29 1zit s VAL 48 CO 0.88 0.42 0.08 -0.63 0.00 0.00 0.00 175.10 175.85 1zit s ILE 49 N 0.17 0.78 -0.23 2.22 -1.09 0.17 0.81 121.20 124.02 1zit s ILE 49 Ca -0.07 -1.21 -0.10 0.00 -2.23 0.00 0.00 60.65 57.04 1zit s ILE 49 Cb -0.13 -1.52 -0.05 0.00 -1.58 0.00 0.00 42.46 39.18 1zit s ILE 49 CO 0.03 -0.58 0.15 -0.69 -1.23 0.00 0.00 174.94 172.62 1zit s VAL 50 N 1.68 5.29 0.45 2.92 1.01 0.35 -2.05 120.40 130.05 1zit s VAL 50 Ca 0.07 0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.18 1zit s VAL 50 Cb -0.17 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 1zit s VAL 50 CO -0.22 0.36 0.70 -0.22 0.00 0.00 0.00 175.10 175.72 1zit s LEU 51 N 0.97 3.70 -0.36 3.92 2.96 -1.07 -0.58 118.68 128.22 1zit s LEU 51 Ca 0.07 0.63 0.04 0.00 -0.22 0.00 0.00 54.13 54.65 1zit s LEU 51 Cb -0.13 -3.52 0.17 0.00 0.50 0.00 0.00 46.19 43.20 1zit s LEU 51 CO 0.04 -0.58 0.46 -0.62 -1.32 0.00 0.00 176.35 174.33 1zit s ASP 52 N -4.13 0.12 -1.09 3.68 2.15 0.19 -1.09 116.67 116.49 1zit s ASP 52 Ca 0.46 -0.99 -0.12 0.00 0.43 0.00 0.00 52.55 52.34 1zit s ASP 52 Cb -0.10 1.14 -0.07 0.00 -0.30 0.00 0.00 42.92 43.59 1zit s ASP 52 CO 0.41 -0.26 2.24 0.52 -0.17 0.00 0.00 175.17 177.91 1zit n VAL 53 N 4.62 2.78 0.00 1.11 0.31 -0.96 -3.86 118.33 122.33 1zit n VAL 53 Ca 0.08 -1.91 0.00 0.00 -0.01 0.00 0.00 64.34 62.51 1zit n VAL 53 Cb 0.50 -2.33 0.00 0.00 -0.91 0.00 0.00 33.84 31.09 1zit n VAL 53 CO 0.00 0.00 0.00 1.87 -1.32 0.00 0.00 176.83 177.38 1zit n TRP 54 N 5.13 0.00 -2.73 3.52 -0.00 -1.26 -4.74 117.44 117.35 1zit n TRP 54 Ca 0.53 0.00 0.01 0.00 -0.00 0.00 0.00 57.50 58.04 1zit n TRP 54 Cb 0.25 0.00 0.04 0.00 -0.00 0.00 0.00 31.31 31.60 1zit n TRP 54 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 177.69 176.36 1zit n MET 55 N -0.33 1.27 0.00 5.87 2.81 -1.26 -5.05 117.12 120.43 1zit n MET 55 Ca 0.00 -3.10 0.00 0.00 -1.81 0.00 0.00 57.70 52.79 1zit n MET 55 Cb 0.00 -1.17 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 1zit n MET 55 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1zit n PRO 56 N -0.30 0.42 -1.02 0.03 -0.04 -1.26 -5.00 135.00 127.83 1zit n PRO 56 Ca 0.07 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.57 1zit n PRO 56 Cb 0.90 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.42 1zit n PRO 56 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1zit n ASP 57 N -1.63 1.06 0.00 3.54 8.00 -1.26 -4.96 116.55 121.30 1zit n ASP 57 Ca 0.00 -2.48 0.00 0.00 0.71 0.00 0.00 54.79 53.02 1zit n ASP 57 Cb 0.00 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 1zit n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1zit n GLY 58 N -0.07 -0.04 3.39 0.44 0.00 -1.26 -5.03 105.19 102.61 1zit n GLY 58 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 1zit n GLY 58 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1zit n ASP 59 N -0.45 -3.94 -4.54 1.61 2.03 -1.26 -4.94 116.55 105.06 1zit n ASP 59 Ca 0.00 -0.69 -0.43 0.00 0.52 0.00 0.00 54.79 54.20 1zit n ASP 59 Cb 0.00 -5.02 -0.06 0.00 -0.72 0.00 0.00 41.12 35.32 1zit n ASP 59 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1zit s GLY 60 N -3.94 1.64 0.31 0.27 0.00 -1.26 -4.92 107.32 99.42 1zit s GLY 60 Ca 0.20 -1.03 0.01 0.00 0.00 0.00 0.00 44.72 43.90 1zit s GLY 60 CO 0.75 1.71 1.87 -2.08 0.00 0.00 0.00 173.10 175.34 1zit h VAL 61 N 5.93 1.21 0.00 1.40 2.07 -1.92 -1.48 116.25 123.46 1zit h VAL 61 Ca -0.25 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1zit h VAL 61 Cb 1.09 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1zit h VAL 61 CO 0.93 0.27 0.00 -3.20 0.02 0.00 0.00 177.57 175.59 1zit n ASN 62 N -4.30 0.00 -0.22 0.57 2.85 -1.26 -3.32 115.26 109.59 1zit n ASN 62 Ca 0.04 0.08 -0.02 0.00 -0.11 0.00 0.00 54.58 54.56 1zit n ASN 62 Cb 0.20 -0.33 0.17 0.00 1.24 0.00 0.00 39.78 41.07 1zit n ASN 62 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 1zit h PHE 63 N 0.00 1.00 -1.14 1.20 3.57 -1.67 -2.28 116.94 117.62 1zit h PHE 63 Ca 0.00 -0.04 0.33 0.00 3.53 0.00 0.00 57.97 61.79 1zit h PHE 63 Cb 0.23 -0.31 -0.05 0.00 2.79 0.00 0.00 35.95 38.61 1zit h PHE 63 CO 0.00 0.73 0.82 0.82 -2.23 0.00 0.00 178.31 178.45 1zit h ILE 64 N 1.00 0.43 -0.04 1.41 2.04 -1.73 0.78 117.51 121.41 1zit h ILE 64 Ca 0.25 -0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.91 1zit h ILE 64 Cb 0.10 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1zit h ILE 64 CO -0.03 0.00 -0.79 -0.78 0.00 0.00 0.00 178.15 176.55 1zit h ASP 65 N 0.01 0.38 -0.54 1.72 1.82 -1.67 -3.01 116.42 115.13 1zit h ASP 65 Ca 0.55 -0.27 -0.01 0.00 -0.39 0.00 0.00 57.03 56.91 1zit h ASP 65 Cb 2.16 -0.11 -0.03 0.00 0.68 0.00 0.00 39.33 42.04 1zit h ASP 65 CO -0.01 1.02 0.31 0.15 -1.61 0.00 0.00 179.24 179.10 1zit h PHE 66 N 0.20 0.72 -0.84 0.28 3.04 0.52 0.91 116.94 121.77 1zit h PHE 66 Ca -0.04 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.90 1zit h PHE 66 Cb 1.37 -0.23 -0.04 0.00 2.56 0.00 0.00 35.95 39.61 1zit h PHE 66 CO 0.04 0.51 0.51 0.82 -2.02 0.00 0.00 178.31 178.17 1zit h ILE 67 N 0.72 1.23 0.00 1.41 5.03 -1.47 -1.52 117.51 122.92 1zit h ILE 67 Ca 0.19 -0.51 -0.02 0.00 -0.12 0.00 0.00 64.86 64.40 1zit h ILE 67 Cb 0.01 0.05 -0.00 0.00 -3.03 0.00 0.00 36.82 33.85 1zit h ILE 67 CO -0.03 0.24 -0.10 0.11 -0.68 0.00 0.00 178.15 177.69 1zit h LYS 68 N 1.16 0.00 -0.36 2.37 1.57 -1.30 0.41 116.57 120.41 1zit h LYS 68 Ca 0.30 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.96 1zit h LYS 68 Cb -0.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1zit h LYS 68 CO -0.06 0.10 -0.25 1.49 -0.57 0.00 0.00 179.45 180.16 1zit h GLU 69 N 0.00 0.74 0.00 3.15 4.81 0.19 -3.03 114.58 120.44 1zit h GLU 69 Ca -0.00 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1zit h GLU 69 Cb 1.04 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.39 1zit h GLU 69 CO 0.01 0.92 0.00 0.09 -0.73 0.00 0.00 179.01 179.30 1zit n ASN 70 N -4.10 1.87 -2.74 1.04 3.02 -0.88 -4.82 115.26 108.65 1zit n ASN 70 Ca -0.00 -1.89 -0.08 0.00 -0.03 0.00 0.00 54.58 52.58 1zit n ASN 70 Cb 0.45 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.68 1zit n ASN 70 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1zit n SER 71 N -0.44 -2.70 0.25 6.41 7.64 0.14 -4.94 113.62 119.97 1zit n SER 71 Ca 0.00 -3.36 0.16 0.00 1.01 0.00 0.00 58.87 56.68 1zit n SER 71 Cb 0.23 1.83 0.64 0.00 -1.01 0.00 0.00 64.21 65.89 1zit n SER 71 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1zit h PRO 72 N 3.69 0.00 -0.89 1.43 0.11 -1.66 -2.77 132.00 131.91 1zit h PRO 72 Ca -0.14 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.50 1zit h PRO 72 Cb 1.06 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 31.89 1zit h PRO 72 CO 0.26 0.00 0.54 -3.47 -0.21 0.00 0.00 178.00 175.12 1zit n ASP 73 N -2.92 3.66 -4.76 -2.05 2.03 -1.26 -4.96 116.55 106.30 1zit n ASP 73 Ca 0.01 -3.65 -0.32 0.00 0.52 0.00 0.00 54.79 51.35 1zit n ASP 73 Cb 0.30 -0.81 -0.05 0.00 -0.72 0.00 0.00 41.12 39.83 1zit n ASP 73 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1zit n SER 74 N -1.14 3.30 -4.30 1.67 2.88 -1.05 -4.82 113.62 110.17 1zit n SER 74 Ca 0.56 -3.20 -0.29 0.00 -1.33 0.00 0.00 58.87 54.61 1zit n SER 74 Cb 1.54 0.28 -0.15 0.00 -0.75 0.00 0.00 64.21 65.13 1zit n SER 74 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1zit s VAL 75 N -2.85 1.95 -0.33 2.46 1.01 0.25 -4.96 120.40 117.93 1zit s VAL 75 Ca 0.06 -1.23 0.03 0.00 0.00 0.00 0.00 61.98 60.84 1zit s VAL 75 Cb -0.01 -1.66 0.10 0.00 0.00 0.00 0.00 36.38 34.82 1zit s VAL 75 CO 0.04 0.38 0.06 -0.69 0.00 0.00 0.00 175.10 174.89 1zit s VAL 76 N -0.73 1.92 -1.01 2.92 1.01 -1.26 0.44 120.40 123.70 1zit s VAL 76 Ca 0.10 -2.09 -0.04 0.00 0.00 0.00 0.00 61.98 59.95 1zit s VAL 76 Cb -0.09 -2.42 0.28 0.00 0.00 0.00 0.00 36.38 34.15 1zit s VAL 76 CO 0.01 -0.60 1.19 -0.38 0.00 0.00 0.00 175.10 175.32 1zit n ILE 77 N 4.41 4.42 -2.04 2.22 2.08 -0.87 -1.54 119.36 128.03 1zit n ILE 77 Ca 0.02 -5.58 -0.42 0.00 0.56 0.00 0.00 62.75 57.32 1zit n ILE 77 Cb 0.42 -2.26 -0.03 0.00 -0.75 0.00 0.00 39.64 37.03 1zit n ILE 77 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1zit s VAL 78 N -2.16 3.63 0.19 1.39 1.01 -1.25 -2.61 120.40 120.59 1zit s VAL 78 Ca 0.32 0.75 0.08 0.00 0.00 0.00 0.00 61.98 63.13 1zit s VAL 78 Cb 0.00 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 1zit s VAL 78 CO 0.01 -0.11 -0.16 -0.63 0.00 0.00 0.00 175.10 174.21 1zit s ILE 79 N 4.34 1.78 0.00 2.22 1.01 -0.25 -4.01 121.20 126.29 1zit s ILE 79 Ca 0.73 -2.09 0.04 0.00 0.00 0.00 0.00 60.65 59.32 1zit s ILE 79 Cb -0.31 -1.95 0.06 0.00 0.01 0.00 0.00 42.46 40.27 1zit s ILE 79 CO 0.29 -0.47 0.95 0.35 0.00 0.00 0.00 174.94 176.05 1zit n THR 80 N -0.10 0.00 0.00 2.92 -2.24 -1.26 -2.27 114.28 111.33 1zit n THR 80 Ca -0.10 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1zit n THR 80 Cb 0.59 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 1zit n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1zit n GLY 81 N 0.07 3.56 3.74 3.38 0.00 -1.26 -4.49 105.19 110.19 1zit n GLY 81 Ca -0.18 0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 1zit n GLY 81 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1zit s HIS 82 N 0.00 3.35 0.00 1.61 3.76 -1.26 -4.64 115.29 118.11 1zit s HIS 82 Ca 0.00 0.28 0.00 0.00 -0.15 0.00 0.00 55.06 55.19 1zit s HIS 82 Cb 0.00 -1.94 0.00 0.00 1.11 0.00 0.00 32.58 31.75 1zit s HIS 82 CO 0.00 0.46 0.00 0.41 -0.85 0.00 0.00 174.74 174.76 1zit n GLY 83 N 2.57 3.22 2.78 -2.22 0.00 -1.26 -5.09 105.19 105.18 1zit n GLY 83 Ca -0.18 -1.70 -0.03 0.00 0.00 0.00 0.00 46.02 44.10 1zit n GLY 83 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1zit n SER 84 N 0.00 -8.02 0.04 1.61 7.64 -1.26 -4.95 113.62 108.68 1zit n SER 84 Ca 0.00 1.06 -0.10 0.00 1.01 0.00 0.00 58.87 60.84 1zit n SER 84 Cb 0.00 -5.37 -0.13 0.00 -1.01 0.00 0.00 64.21 57.70 1zit n SER 84 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1zit h VAL 85 N 2.61 1.32 0.00 0.44 2.07 -1.99 -3.31 116.25 117.39 1zit h VAL 85 Ca -0.00 -3.06 -0.06 0.00 0.82 0.00 0.00 66.70 64.40 1zit h VAL 85 Cb 0.43 2.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 1zit h VAL 85 CO 0.14 0.79 -0.30 0.44 0.02 0.00 0.00 177.57 178.66 1zit h ASP 86 N 0.02 0.00 -0.02 0.57 3.32 -2.01 -3.07 116.42 115.23 1zit h ASP 86 Ca -0.15 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.78 1zit h ASP 86 Cb 1.90 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.44 1zit h ASP 86 CO 0.12 0.30 -0.39 0.00 -1.72 0.00 0.00 179.24 177.55 1zit h THR 87 N 0.00 1.30 0.48 0.35 1.03 -1.93 -1.05 112.91 113.09 1zit h THR 87 Ca -0.00 -1.53 -0.01 0.00 -0.01 0.00 0.00 66.41 64.85 1zit h THR 87 Cb 1.04 1.54 -0.02 0.00 -1.07 0.00 0.00 68.15 69.65 1zit h THR 87 CO 0.04 0.48 -0.48 0.00 -0.01 0.00 0.00 175.52 175.55 1zit h ALA 88 N 1.15 -1.07 -0.41 0.00 0.00 -1.63 0.87 119.26 118.17 1zit h ALA 88 Ca 0.04 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1zit h ALA 88 Cb 0.87 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 1zit h ALA 88 CO 0.07 -1.14 0.13 -0.39 0.00 0.00 0.00 179.25 177.93 1zit h VAL 89 N -0.96 1.17 0.00 0.00 -1.51 -1.61 -0.43 116.25 112.91 1zit h VAL 89 Ca -0.05 -0.56 0.00 0.00 -1.23 0.00 0.00 66.70 64.85 1zit h VAL 89 Cb 0.84 0.72 0.00 0.00 -2.13 0.00 0.00 31.29 30.72 1zit h VAL 89 CO -0.06 0.21 0.00 1.17 -1.23 0.00 0.00 177.57 177.66 1zit n LYS 90 N -4.35 0.03 -0.05 5.19 4.81 -0.40 -1.44 118.16 121.94 1zit n LYS 90 Ca 0.03 0.21 -0.04 0.00 -0.87 0.00 0.00 58.31 57.64 1zit n LYS 90 Cb 0.17 -1.55 -0.11 0.00 0.02 0.00 0.00 35.03 33.56 1zit n LYS 90 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1zit n ALA 91 N -1.54 1.85 0.02 3.14 0.00 0.25 -4.45 120.51 119.78 1zit n ALA 91 Ca 0.04 -0.77 -0.16 0.00 0.00 0.00 0.00 53.44 52.55 1zit n ALA 91 Cb 0.23 -0.12 -0.14 0.00 0.00 0.00 0.00 19.45 19.41 1zit n ALA 91 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1zit h ILE 92 N 0.00 0.87 -0.12 0.00 3.07 -1.07 -3.30 117.51 116.96 1zit h ILE 92 Ca -0.29 -2.60 -0.01 0.00 1.55 0.00 0.00 64.86 63.51 1zit h ILE 92 Cb 1.58 2.57 -0.01 0.00 -0.27 0.00 0.00 36.82 40.70 1zit h ILE 92 CO 0.02 0.76 0.02 0.11 -1.05 0.00 0.00 178.15 178.00 1zit h LYS 93 N 0.05 0.17 0.48 0.16 6.56 -1.49 -2.75 116.57 119.75 1zit h LYS 93 Ca -0.32 -0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.23 1zit h LYS 93 Cb 2.02 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 33.65 1zit h LYS 93 CO 0.11 0.18 -0.23 0.87 -2.06 0.00 0.00 179.45 178.32 1zit h LYS 94 N 0.17 -0.62 0.00 3.15 1.79 -1.78 -3.45 116.57 115.83 1zit h LYS 94 Ca 0.04 0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.53 1zit h LYS 94 Cb 0.09 0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.86 1zit h LYS 94 CO -0.00 -0.41 -0.05 0.41 -1.08 0.00 0.00 179.45 178.31 1zit n GLY 95 N -1.27 0.02 0.00 3.86 0.00 -1.17 -5.01 105.19 101.62 1zit n GLY 95 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1zit n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zit n ALA 96 N 0.00 0.00 0.13 4.61 0.00 -1.05 -4.70 120.51 119.51 1zit n ALA 96 Ca -0.05 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.45 1zit n ALA 96 Cb 0.29 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.65 1zit n ALA 96 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1zit n TYR 97 N -1.07 0.00 -1.52 0.00 9.36 -0.59 -4.89 117.16 118.45 1zit n TYR 97 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1zit n TYR 97 Cb 0.00 -0.21 0.00 0.00 -0.63 0.00 0.00 39.34 38.50 1zit n TYR 97 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 1zit n GLU 98 N -1.76 -1.64 -3.89 2.98 0.28 -1.26 -5.06 120.64 110.29 1zit n GLU 98 Ca -0.01 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.69 1zit n GLU 98 Cb 0.28 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 33.01 1zit n GLU 98 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 1zit s PHE 99 N -2.24 2.87 -0.44 -1.84 5.36 -1.26 -3.85 117.98 116.59 1zit s PHE 99 Ca 0.00 -2.96 -0.34 0.00 -0.96 0.00 0.00 56.93 52.67 1zit s PHE 99 Cb 0.00 -2.57 -0.12 0.00 -0.34 0.00 0.00 43.02 39.99 1zit s PHE 99 CO 0.00 -0.76 2.27 -0.11 -1.46 0.00 0.00 175.22 175.16 1zit n LEU 100 N 3.28 1.91 0.00 6.12 7.94 -1.26 -4.93 117.00 130.06 1zit n LEU 100 Ca 0.06 0.29 -0.01 0.00 -1.11 0.00 0.00 56.01 55.24 1zit n LEU 100 Cb 0.33 -1.25 0.00 0.00 0.53 0.00 0.00 43.42 43.03 1zit n LEU 100 CO 0.31 -0.83 0.02 -1.84 -1.11 0.00 0.00 177.39 173.94 1zit n GLU 101 N 8.30 0.73 -2.80 1.96 0.28 -1.26 -4.51 120.64 123.34 1zit n GLU 101 Ca 0.44 -0.11 -0.08 0.00 -0.16 0.00 0.00 57.16 57.25 1zit n GLU 101 Cb 0.24 -0.02 0.01 0.00 1.43 0.00 0.00 31.44 33.09 1zit n GLU 101 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1zit n LYS 102 N -1.06 -2.32 -0.78 3.44 5.02 -1.26 -5.02 118.16 116.18 1zit n LYS 102 Ca 0.01 2.08 -0.22 0.00 -2.02 0.00 0.00 58.31 58.16 1zit n LYS 102 Cb 0.02 -5.54 0.18 0.00 -0.02 0.00 0.00 35.03 29.68 1zit n LYS 102 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1zit n PRO 103 N -0.29 -2.49 -2.57 1.97 -0.04 -1.26 -4.20 135.00 126.12 1zit n PRO 103 Ca 0.11 -1.28 -0.21 0.00 -0.04 0.00 0.00 63.50 62.08 1zit n PRO 103 Cb 0.44 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 1zit n PRO 103 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1zit n PHE 104 N -4.17 -1.27 -2.75 0.54 3.72 -1.26 -4.91 117.46 107.36 1zit n PHE 104 Ca 0.11 0.14 -0.05 0.00 -0.05 0.00 0.00 57.45 57.60 1zit n PHE 104 Cb 0.43 -4.15 0.03 0.00 -0.94 0.00 0.00 39.48 34.84 1zit n PHE 104 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1zit n SER 105 N -2.16 -3.19 0.11 4.37 7.64 -1.26 -4.99 113.62 114.14 1zit n SER 105 Ca -0.21 -2.99 -0.02 0.00 1.01 0.00 0.00 58.87 56.66 1zit n SER 105 Cb 0.67 1.74 0.06 0.00 -1.01 0.00 0.00 64.21 65.67 1zit n SER 105 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 1zit h VAL 106 N 4.18 1.38 -1.03 0.44 3.04 -1.91 -3.23 116.25 119.13 1zit h VAL 106 Ca -0.02 -2.57 0.26 0.00 -1.01 0.00 0.00 66.70 63.36 1zit h VAL 106 Cb 1.09 2.44 -0.10 0.00 -2.01 0.00 0.00 31.29 32.71 1zit h VAL 106 CO 0.11 0.70 0.65 -0.08 -1.01 0.00 0.00 177.57 177.95 1zit h GLU 107 N 0.00 0.42 -0.49 4.17 4.81 -1.94 0.54 114.58 122.09 1zit h GLU 107 Ca -0.01 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.07 1zit h GLU 107 Cb 1.38 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 1zit h GLU 107 CO 0.09 0.28 -0.21 -0.09 -0.73 0.00 0.00 179.01 178.35 1zit h ARG 108 N 0.44 1.00 -0.18 1.92 9.65 -1.99 -2.41 114.38 122.81 1zit h ARG 108 Ca 0.60 -0.43 0.05 0.00 -1.10 0.00 0.00 59.98 59.10 1zit h ARG 108 Cb 1.43 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.97 1zit h ARG 108 CO -0.32 1.11 0.17 0.35 2.80 0.00 0.00 179.97 184.07 1zit h PHE 109 N 0.86 0.00 -0.26 2.20 3.04 -0.08 -1.76 116.94 120.95 1zit h PHE 109 Ca 0.11 0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.09 1zit h PHE 109 Cb 0.79 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.28 1zit h PHE 109 CO 0.05 0.00 0.08 1.25 -2.02 0.00 0.00 178.31 177.67 1zit h LEU 110 N 0.00 0.08 -0.16 0.59 6.46 -0.84 -2.65 115.31 118.79 1zit h LEU 110 Ca 0.09 0.03 0.05 0.00 -0.12 0.00 0.00 57.88 57.93 1zit h LEU 110 Cb 0.42 0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 40.31 1zit h LEU 110 CO -0.00 0.08 -0.23 -0.07 -0.62 0.00 0.00 178.44 177.60 1zit h LEU 111 N 0.19 -0.72 0.12 2.25 4.07 -1.41 -2.87 115.31 116.94 1zit h LEU 111 Ca 0.11 0.12 0.02 0.00 0.08 0.00 0.00 57.88 58.21 1zit h LEU 111 Cb 0.09 0.33 -0.05 0.00 1.08 0.00 0.00 40.66 42.11 1zit h LEU 111 CO -0.12 -0.28 -0.47 0.74 -1.08 0.00 0.00 178.44 177.23 1zit h THR 112 N -0.28 0.08 -0.44 0.22 2.02 -1.57 -2.90 112.91 110.04 1zit h THR 112 Ca 0.11 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.33 1zit h THR 112 Cb 0.44 0.08 -0.05 0.00 -1.74 0.00 0.00 68.15 66.88 1zit h THR 112 CO -0.32 0.00 -0.26 -0.38 0.37 0.00 0.00 175.52 174.93 1zit n ILE 113 N -5.48 -0.30 0.03 3.11 2.08 -1.02 0.13 119.36 117.92 1zit n ILE 113 Ca -0.08 1.38 -0.15 0.00 0.56 0.00 0.00 62.75 64.46 1zit n ILE 113 Cb 0.40 -1.73 -0.09 0.00 -0.75 0.00 0.00 39.64 37.46 1zit n ILE 113 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 1zit h LYS 114 N 0.00 -0.61 -0.64 0.38 3.11 -1.52 0.50 116.57 117.78 1zit h LYS 114 Ca 0.07 0.04 0.19 0.00 -2.81 0.00 0.00 60.65 58.14 1zit h LYS 114 Cb 0.18 0.14 -0.03 0.00 -1.00 0.00 0.00 32.23 31.52 1zit h LYS 114 CO -0.42 -0.41 0.57 0.45 -2.81 0.00 0.00 179.45 176.84 1zit h HIS 115 N -0.63 0.00 -0.15 1.91 3.86 0.00 0.37 115.15 120.51 1zit h HIS 115 Ca 0.03 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.08 1zit h HIS 115 Cb 0.70 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.17 1zit h HIS 115 CO -0.53 0.00 -0.58 0.00 0.86 0.00 0.00 177.93 177.68 1zit h ALA 116 N 1.47 0.72 -0.24 2.45 0.00 0.60 0.22 119.26 124.48 1zit h ALA 116 Ca 0.31 -0.53 -0.19 0.00 0.00 0.00 0.00 54.91 54.50 1zit h ALA 116 Cb 1.44 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1zit h ALA 116 CO -0.00 0.70 -0.59 0.74 0.00 0.00 0.00 179.25 180.09 1zit h PHE 117 N 0.35 1.02 0.17 0.00 -1.00 0.96 -2.63 116.94 115.81 1zit h PHE 117 Ca 0.00 -0.38 -0.30 0.00 2.81 0.00 0.00 57.97 60.10 1zit h PHE 117 Cb 1.11 -0.19 0.01 0.00 3.61 0.00 0.00 35.95 40.50 1zit h PHE 117 CO 0.04 1.20 -1.35 0.93 -1.61 0.00 0.00 178.31 177.52 1zit h GLU 118 N 0.60 0.36 0.00 1.51 4.39 -1.39 -2.28 114.58 117.76 1zit h GLU 118 Ca 0.00 -0.61 0.00 0.00 0.34 0.00 0.00 59.36 59.09 1zit h GLU 118 Cb 1.19 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 30.07 1zit h GLU 118 CO 0.13 1.29 0.00 0.39 -1.16 0.00 0.00 179.01 179.65 1zit n GLU 119 N -3.59 0.25 -2.77 2.33 1.02 0.75 -3.42 120.64 115.22 1zit n GLU 119 Ca -0.12 0.10 -0.02 0.00 -0.02 0.00 0.00 57.16 57.10 1zit n GLU 119 Cb 1.05 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 31.04 1zit n GLU 119 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1zit n TYR 120 N -1.32 0.33 1.99 -0.32 4.19 -0.99 -5.03 117.16 116.00 1zit n TYR 120 Ca 0.09 -2.13 0.16 0.00 3.31 0.00 0.00 57.90 59.33 1zit n TYR 120 Cb 0.18 0.23 0.94 0.00 0.49 0.00 0.00 39.34 41.19 1zit n TYR 120 CO 0.00 0.00 0.00 -1.13 0.91 0.00 0.00 176.86 176.64