#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 3.34 -0.19 3.17 3.01 -1.26 -5.03 119.74 122.78 1zit s LYS 2 Ca 0.00 -0.65 -0.03 0.00 -1.01 0.00 0.00 55.97 54.28 1zit s LYS 2 Cb 0.00 -3.02 -0.02 0.00 -1.01 0.00 0.00 37.83 33.78 1zit s LYS 2 CO 0.00 -0.22 -0.06 1.03 0.51 0.00 0.00 175.35 176.62 1zit s ARG 3 N 1.47 3.47 0.04 1.68 3.00 -1.26 -0.03 118.95 127.31 1zit s ARG 3 Ca 0.05 -0.60 0.07 0.00 0.00 0.00 0.00 55.73 55.25 1zit s ARG 3 Cb -0.14 -2.92 -0.02 0.00 0.00 0.00 0.00 34.95 31.86 1zit s ARG 3 CO -0.03 0.01 -0.21 0.08 0.00 0.00 0.00 175.30 175.14 1zit s VAL 4 N 0.95 1.69 -0.16 3.52 1.01 -0.82 -4.06 120.40 122.52 1zit s VAL 4 Ca -0.00 -1.18 -0.15 0.00 0.00 0.00 0.00 61.98 60.65 1zit s VAL 4 Cb -0.15 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1zit s VAL 4 CO 0.01 0.24 0.35 -0.22 0.00 0.00 0.00 175.10 175.48 1zit s LEU 5 N -1.11 4.22 -0.57 3.92 2.96 0.72 -2.03 118.68 126.80 1zit s LEU 5 Ca 0.08 0.55 -0.03 0.00 -0.22 0.00 0.00 54.13 54.52 1zit s LEU 5 Cb -0.09 -2.46 0.15 0.00 0.50 0.00 0.00 46.19 44.29 1zit s LEU 5 CO 0.01 0.04 0.38 -0.69 -1.32 0.00 0.00 176.35 174.77 1zit s VAL 6 N 0.72 3.58 -0.28 1.68 1.01 -1.26 0.36 120.40 126.21 1zit s VAL 6 Ca 0.19 -2.78 -0.20 0.00 0.00 0.00 0.00 61.98 59.19 1zit s VAL 6 Cb -0.14 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 1zit s VAL 6 CO 0.06 -0.83 0.63 -0.69 0.00 0.00 0.00 175.10 174.27 1zit s VAL 7 N 0.19 4.96 -0.21 2.92 1.01 0.32 -1.72 120.40 127.88 1zit s VAL 7 Ca 0.15 1.00 -0.09 0.00 0.00 0.00 0.00 61.98 63.03 1zit s VAL 7 Cb -0.21 -3.97 0.08 0.00 0.00 0.00 0.00 36.38 32.29 1zit s VAL 7 CO -0.03 -0.05 0.47 -0.62 0.00 0.00 0.00 175.10 174.86 1zit s ASP 8 N 1.56 -0.53 -0.23 3.32 2.15 -1.02 0.96 116.67 122.87 1zit s ASP 8 Ca 0.26 1.08 -0.04 0.00 0.43 0.00 0.00 52.55 54.27 1zit s ASP 8 Cb -0.15 1.22 -0.04 0.00 -0.30 0.00 0.00 42.92 43.65 1zit s ASP 8 CO 0.10 -0.22 2.89 -0.67 -0.17 0.00 0.00 175.17 177.11 1zit n ASP 9 N 4.83 5.93 0.00 -0.34 2.03 -1.26 -3.87 116.55 123.86 1zit n ASP 9 Ca -0.16 -2.85 0.00 0.00 0.52 0.00 0.00 54.79 52.30 1zit n ASP 9 Cb 0.53 -1.26 0.00 0.00 -0.72 0.00 0.00 41.12 39.66 1zit n ASP 9 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1zit n GLU 10 N 1.43 0.00 -1.05 -0.67 0.00 -1.26 -4.18 120.64 114.92 1zit n GLU 10 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.55 1zit n GLU 10 Cb 0.68 -0.95 0.00 0.00 0.00 0.00 0.00 31.44 31.17 1zit n GLU 10 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1zit n GLU 11 N -2.50 0.00 0.00 5.31 2.13 -1.25 -5.11 120.64 119.22 1zit n GLU 11 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1zit n GLU 11 Cb 0.48 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.19 1zit n GLU 11 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1zit n SER 12 N -0.04 0.00 -4.91 4.31 3.41 -1.26 -4.81 113.62 110.31 1zit n SER 12 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 1zit n SER 12 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 1zit n SER 12 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1zit s ILE 13 N 0.00 4.58 -0.08 -1.33 -1.09 -1.26 -4.75 121.20 117.26 1zit s ILE 13 Ca 0.00 0.07 -0.19 0.00 -2.23 0.00 0.00 60.65 58.30 1zit s ILE 13 Cb 0.00 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.09 1zit s ILE 13 CO 0.00 -0.71 0.54 0.42 -1.23 0.00 0.00 174.94 173.95 1zit s THR 14 N -2.76 5.10 0.30 2.92 -4.23 -1.26 -5.02 115.64 110.69 1zit s THR 14 Ca 0.48 1.10 -0.28 0.00 -1.18 0.00 0.00 61.69 61.81 1zit s THR 14 Cb -0.10 -3.88 -0.13 0.00 1.34 0.00 0.00 72.50 69.73 1zit s THR 14 CO 0.44 0.34 1.14 -1.20 -0.54 0.00 0.00 174.62 174.80 1zit n SER 15 N 3.43 1.90 0.00 3.99 7.64 -1.26 -1.31 113.62 128.01 1zit n SER 15 Ca -0.06 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.00 1zit n SER 15 Cb 0.51 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 1zit n SER 15 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1zit n SER 16 N 1.15 -0.29 -0.07 6.43 2.88 -1.26 -4.77 113.62 117.68 1zit n SER 16 Ca 0.08 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.57 1zit n SER 16 Cb 0.33 -0.85 -0.02 0.00 -0.75 0.00 0.00 64.21 62.91 1zit n SER 16 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1zit n LEU 17 N 0.00 1.81 -0.27 2.46 0.00 -0.42 -3.84 117.00 116.74 1zit n LEU 17 Ca 0.00 0.62 0.09 0.00 0.00 0.00 0.00 56.01 56.72 1zit n LEU 17 Cb 0.01 -0.88 0.22 0.00 0.00 0.00 0.00 43.42 42.78 1zit n LEU 17 CO 0.00 -0.43 0.89 -1.28 0.00 0.00 0.00 177.39 176.57 1zit h SER 18 N -1.00 -0.13 -0.54 1.96 0.87 -1.89 0.84 113.55 113.65 1zit h SER 18 Ca -0.02 0.19 0.02 0.00 -1.23 0.00 0.00 61.79 60.74 1zit h SER 18 Cb 0.56 0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.78 1zit h SER 18 CO -0.01 -0.14 0.36 0.00 -0.53 0.00 0.00 176.83 176.51 1zit h ALA 19 N 1.72 1.66 0.11 6.23 0.00 -1.92 -1.11 119.26 125.96 1zit h ALA 19 Ca 0.47 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 1zit h ALA 19 Cb 0.89 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1zit h ALA 19 CO -0.63 0.29 -0.05 0.82 0.00 0.00 0.00 179.25 179.68 1zit h ILE 20 N 0.69 0.00 0.00 0.00 2.04 0.37 -3.00 117.51 117.61 1zit h ILE 20 Ca 0.21 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1zit h ILE 20 Cb -0.01 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.07 1zit h ILE 20 CO -0.05 0.00 0.09 0.00 0.00 0.00 0.00 178.15 178.19 1zit n LEU 21 N -3.59 0.05 0.00 1.44 -0.00 0.10 0.08 117.00 115.08 1zit n LEU 21 Ca -0.02 0.44 -0.06 0.00 -0.00 0.00 0.00 56.01 56.38 1zit n LEU 21 Cb 0.06 -0.45 -0.12 0.00 -0.00 0.00 0.00 43.42 42.91 1zit n LEU 21 CO 0.04 -0.46 -0.38 -0.33 -0.00 0.00 0.00 177.39 176.26 1zit h GLU 22 N 0.00 0.00 0.15 1.47 5.08 -1.26 0.24 114.58 120.26 1zit h GLU 22 Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 1zit h GLU 22 Cb 0.17 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.43 1zit h GLU 22 CO 0.00 0.46 -1.34 1.49 -1.00 0.00 0.00 179.01 178.62 1zit h GLU 23 N 0.00 0.32 0.02 2.33 4.81 -0.21 -3.30 114.58 118.55 1zit h GLU 23 Ca -0.22 -0.55 -0.20 0.00 -0.13 0.00 0.00 59.36 58.25 1zit h GLU 23 Cb 1.85 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 31.42 1zit h GLU 23 CO 0.07 1.25 -0.94 0.93 -0.73 0.00 0.00 179.01 179.60 1zit h GLU 24 N 0.09 0.08 -0.39 1.92 4.39 -1.49 -3.48 114.58 115.70 1zit h GLU 24 Ca -0.18 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.41 1zit h GLU 24 Cb 2.02 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.71 1zit h GLU 24 CO 0.21 0.95 0.00 0.41 -1.16 0.00 0.00 179.01 179.43 1zit n GLY 25 N 1.07 0.84 0.12 -3.84 0.00 -1.02 -5.00 105.19 97.38 1zit n GLY 25 Ca -0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.62 -3.19 -3.41 1.61 4.02 0.80 -4.34 117.16 112.03 1zit n TYR 26 Ca 0.00 -0.06 -0.21 0.00 -0.01 0.00 0.00 57.90 57.62 1zit n TYR 26 Cb 0.15 -0.02 -0.10 0.00 -0.02 0.00 0.00 39.34 39.35 1zit n TYR 26 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1zit s HIS 27 N 0.47 -0.03 0.37 -0.72 2.46 0.95 -4.86 115.29 113.94 1zit s HIS 27 Ca 0.02 -0.87 -0.24 0.00 0.47 0.00 0.00 55.06 54.44 1zit s HIS 27 Cb -0.00 -0.59 -0.10 0.00 -0.13 0.00 0.00 32.58 31.76 1zit s HIS 27 CO 0.01 -0.91 0.95 -1.25 -2.47 0.00 0.00 174.74 171.08 1zit s PRO 28 N 1.63 4.41 0.00 2.88 0.04 -1.26 -1.95 135.00 140.75 1zit s PRO 28 Ca 0.15 1.26 0.05 0.00 0.04 0.00 0.00 61.00 62.49 1zit s PRO 28 Cb -0.17 -2.53 -0.02 0.00 0.04 0.00 0.00 34.50 31.82 1zit s PRO 28 CO -0.13 0.12 0.32 -3.47 0.04 0.00 0.00 177.00 173.89 1zit n ASP 29 N 0.03 0.54 -0.41 6.66 2.03 -0.86 -4.94 116.55 119.60 1zit n ASP 29 Ca 0.04 -0.77 0.00 0.00 0.52 0.00 0.00 54.79 54.58 1zit n ASP 29 Cb 0.52 0.73 0.00 0.00 -0.72 0.00 0.00 41.12 41.64 1zit n ASP 29 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1zit n THR 30 N -0.72 0.00 -3.86 5.18 -2.24 -1.26 -4.83 114.28 106.55 1zit n THR 30 Ca 0.01 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.68 1zit n THR 30 Cb 0.09 -0.07 -0.13 0.00 -2.10 0.00 0.00 70.33 68.12 1zit n THR 30 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1zit s ALA 31 N -0.13 -0.15 0.94 6.98 0.00 -0.70 -4.86 121.76 123.84 1zit s ALA 31 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.04 1zit s ALA 31 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.06 1zit s ALA 31 CO 0.00 -0.06 0.00 1.63 0.00 0.00 0.00 175.76 177.33 1zit n LYS 32 N 2.76 -0.46 -0.80 0.00 5.02 -1.26 -2.45 118.16 120.97 1zit n LYS 32 Ca -0.14 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.80 1zit n LYS 32 Cb 0.59 0.00 0.12 0.00 -0.02 0.00 0.00 35.03 35.72 1zit n LYS 32 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1zit n THR 33 N -2.04 0.00 -0.63 -0.18 -2.24 -1.26 -3.65 114.28 104.28 1zit n THR 33 Ca 0.00 -0.22 0.49 0.00 -2.27 0.00 0.00 64.05 62.06 1zit n THR 33 Cb 0.00 -0.39 0.79 0.00 -2.10 0.00 0.00 70.33 68.62 1zit n THR 33 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1zit h LEU 34 N -1.65 0.05 0.43 3.22 3.38 -1.91 0.11 115.31 118.94 1zit h LEU 34 Ca -0.48 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 1zit h LEU 34 Cb 1.36 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.14 1zit h LEU 34 CO 0.32 -0.05 -0.29 -0.09 0.09 0.00 0.00 178.44 178.42 1zit h ARG 35 N 0.01 -0.65 -0.27 1.13 9.65 -1.98 1.00 114.38 123.27 1zit h ARG 35 Ca 0.90 0.04 -0.06 0.00 -1.10 0.00 0.00 59.98 59.77 1zit h ARG 35 Cb 3.46 0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 32.17 1zit h ARG 35 CO -0.11 -0.44 -0.07 1.49 2.80 0.00 0.00 179.97 183.64 1zit h GLU 36 N -0.68 0.43 0.64 0.20 4.57 -1.15 -2.79 114.58 115.80 1zit h GLU 36 Ca -0.06 -0.10 -0.03 0.00 -1.18 0.00 0.00 59.36 57.99 1zit h GLU 36 Cb 0.55 -0.06 0.01 0.00 -0.16 0.00 0.00 28.75 29.09 1zit h GLU 36 CO 0.04 0.52 -0.31 0.00 -1.18 0.00 0.00 179.01 178.08 1zit h ALA 37 N 1.52 -0.99 -0.96 2.92 0.00 -0.66 -1.57 119.26 119.53 1zit h ALA 37 Ca 0.08 -0.19 0.30 0.00 0.00 0.00 0.00 54.91 55.10 1zit h ALA 37 Cb 0.39 0.33 -0.15 0.00 0.00 0.00 0.00 17.79 18.36 1zit h ALA 37 CO 0.02 -0.93 0.40 0.93 0.00 0.00 0.00 179.25 179.68 1zit h GLU 38 N -1.07 0.21 0.16 0.00 5.08 0.11 1.05 114.58 120.12 1zit h GLU 38 Ca -0.09 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1zit h GLU 38 Cb 0.66 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1zit h GLU 38 CO 0.15 0.14 -0.08 -0.22 -1.00 0.00 0.00 179.01 178.00 1zit h LYS 39 N 0.22 -0.21 -0.31 2.33 3.11 -1.41 1.16 116.57 121.45 1zit h LYS 39 Ca 0.67 0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 58.49 1zit h LYS 39 Cb 1.51 0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 32.77 1zit h LYS 39 CO -0.67 -0.08 0.02 0.87 -2.81 0.00 0.00 179.45 176.78 1zit h LYS 40 N -0.29 0.47 -0.00 1.90 1.79 0.11 -2.18 116.57 118.37 1zit h LYS 40 Ca -0.02 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1zit h LYS 40 Cb 0.23 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1zit h LYS 40 CO 0.04 0.49 -0.44 -0.89 -1.08 0.00 0.00 179.45 177.57 1zit n ILE 41 N -4.31 0.00 0.32 1.86 5.41 0.31 -2.97 119.36 119.98 1zit n ILE 41 Ca 0.01 -0.01 0.19 0.00 1.00 0.00 0.00 62.75 63.95 1zit n ILE 41 Cb 0.22 0.18 1.02 0.00 -0.71 0.00 0.00 39.64 40.35 1zit n ILE 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1zit h LYS 42 N 0.05 0.00 0.00 0.38 3.64 0.21 -3.33 116.57 117.52 1zit h LYS 42 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1zit h LYS 42 Cb 0.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1zit h LYS 42 CO 0.00 0.00 -0.27 0.39 -2.27 0.00 0.00 179.45 177.30 1zit n GLU 43 N -2.92 0.00 -1.68 1.90 1.02 -1.26 -5.06 120.64 112.64 1zit n GLU 43 Ca -0.02 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.67 1zit n GLU 43 Cb 0.17 -0.27 -0.04 0.00 -0.02 0.00 0.00 31.44 31.28 1zit n GLU 43 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1zit n LEU 44 N -2.40 3.79 -3.94 -4.62 -0.00 -1.16 -4.88 117.00 103.80 1zit n LEU 44 Ca 0.00 0.99 -0.42 0.00 -0.00 0.00 0.00 56.01 56.58 1zit n LEU 44 Cb 0.13 -1.49 0.00 0.00 -0.00 0.00 0.00 43.42 42.06 1zit n LEU 44 CO 0.00 0.06 2.18 0.33 -0.00 0.00 0.00 177.39 179.96 1zit n PHE 45 N 5.59 3.53 -1.99 1.96 7.35 -1.26 -4.65 117.46 128.00 1zit n PHE 45 Ca 0.19 -2.92 -0.42 0.00 -0.76 0.00 0.00 57.45 53.54 1zit n PHE 45 Cb 0.35 -2.27 -0.03 0.00 0.35 0.00 0.00 39.48 37.88 1zit n PHE 45 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 1zit s PHE 46 N 1.94 2.71 -0.01 -5.13 0.08 -1.26 -4.91 117.98 111.40 1zit s PHE 46 Ca 0.44 0.52 0.11 0.00 0.12 0.00 0.00 56.93 58.12 1zit s PHE 46 Cb 0.10 -3.89 -0.06 0.00 -0.57 0.00 0.00 43.02 38.59 1zit s PHE 46 CO -0.02 -3.44 1.37 -1.00 -0.10 0.00 0.00 175.22 172.02 1zit h PRO 47 N 7.74 0.00 -3.53 0.24 0.13 -1.88 -3.42 132.00 131.28 1zit h PRO 47 Ca -0.42 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.44 1zit h PRO 47 Cb 1.20 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.01 1zit h PRO 47 CO 0.92 0.75 -0.71 0.08 -0.23 0.00 0.00 178.00 178.81 1zit s VAL 48 N -2.85 -0.04 0.10 1.56 1.01 -1.26 0.11 120.40 119.03 1zit s VAL 48 Ca 0.02 0.16 0.10 0.00 0.00 0.00 0.00 61.98 62.26 1zit s VAL 48 Cb 0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.35 1zit s VAL 48 CO 0.78 0.06 -0.24 -0.63 0.00 0.00 0.00 175.10 175.08 1zit s ILE 49 N 0.81 2.43 -0.25 2.22 -1.09 0.22 -0.20 121.20 125.35 1zit s ILE 49 Ca -0.07 -1.57 -0.03 0.00 -2.23 0.00 0.00 60.65 56.75 1zit s ILE 49 Cb -0.09 -2.06 0.08 0.00 -1.58 0.00 0.00 42.46 38.81 1zit s ILE 49 CO -0.03 0.17 0.09 -0.69 -1.23 0.00 0.00 174.94 173.26 1zit s VAL 50 N -1.02 0.28 -0.62 2.92 1.01 0.16 -2.10 120.40 121.04 1zit s VAL 50 Ca 0.15 -0.73 -0.16 0.00 0.00 0.00 0.00 61.98 61.24 1zit s VAL 50 Cb -0.10 -1.06 0.14 0.00 0.00 0.00 0.00 36.38 35.36 1zit s VAL 50 CO 0.06 -0.50 0.60 -0.22 0.00 0.00 0.00 175.10 175.05 1zit s LEU 51 N 1.94 6.17 -0.91 3.92 2.96 -1.26 0.12 118.68 131.62 1zit s LEU 51 Ca 0.05 -1.93 -0.22 0.00 -0.22 0.00 0.00 54.13 51.80 1zit s LEU 51 Cb -0.17 -2.23 0.07 0.00 0.50 0.00 0.00 46.19 44.37 1zit s LEU 51 CO -0.21 -0.84 1.28 -1.81 -1.32 0.00 0.00 176.35 173.45 1zit s ASP 52 N 3.30 6.44 -0.63 3.68 1.11 0.27 -3.10 116.67 127.74 1zit s ASP 52 Ca 0.08 -1.39 -0.27 0.00 0.18 0.00 0.00 52.55 51.15 1zit s ASP 52 Cb -0.24 -2.51 -0.25 0.00 1.07 0.00 0.00 42.92 40.99 1zit s ASP 52 CO 0.01 -1.44 1.85 1.33 1.18 0.00 0.00 175.17 178.10 1zit n VAL 53 N 6.33 0.71 0.00 -1.27 0.24 -1.23 -4.12 118.33 118.99 1zit n VAL 53 Ca 0.21 -0.67 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 1zit n VAL 53 Cb 0.50 -2.10 0.00 0.00 -1.47 0.00 0.00 33.84 30.77 1zit n VAL 53 CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56 1zit n TRP 54 N 12.32 0.00 -3.06 6.34 -0.00 -1.26 -4.89 117.44 126.89 1zit n TRP 54 Ca 0.46 0.00 -0.16 0.00 -0.00 0.00 0.00 57.50 57.80 1zit n TRP 54 Cb 0.44 0.00 -0.00 0.00 -0.00 0.00 0.00 31.31 31.74 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 -0.58 0.95 0.00 5.87 2.81 -1.26 -5.05 117.12 119.85 1zit n MET 55 Ca 0.00 -2.94 0.00 0.00 -1.81 0.00 0.00 57.70 52.95 1zit n MET 55 Cb 0.00 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.03 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 0.47 2.06 -0.86 0.03 -0.05 -1.26 -4.89 135.00 130.49 1zit n PRO 56 Ca 0.19 0.00 -0.02 0.00 -0.05 0.00 0.00 63.50 63.62 1zit n PRO 56 Cb 0.66 0.00 -0.02 0.00 -0.05 0.00 0.00 33.50 34.08 1zit n PRO 56 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 175.50 175.05 1zit n ASP 57 N 0.00 -0.21 -0.02 3.54 5.68 -1.26 -4.90 116.55 119.38 1zit n ASP 57 Ca 0.00 -1.69 0.00 0.00 -0.50 0.00 0.00 54.79 52.60 1zit n ASP 57 Cb 0.00 0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 1zit n ASP 57 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1zit n GLY 58 N 0.09 -0.69 7.00 6.12 0.00 -1.26 -5.12 105.19 111.32 1zit n GLY 58 Ca -0.10 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1zit n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1zit n ASP 59 N -0.20 -1.72 -0.46 1.61 9.92 -1.26 -4.77 116.55 119.68 1zit n ASP 59 Ca 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.25 1zit n ASP 59 Cb 0.43 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.90 1zit n ASP 59 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1zit n GLY 60 N 0.00 0.61 0.12 0.44 0.00 -1.26 -4.86 105.19 100.24 1zit n GLY 60 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1zit n GLY 60 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1zit h VAL 61 N 3.58 1.02 -0.00 1.61 2.07 -1.86 -3.34 116.25 119.32 1zit h VAL 61 Ca -0.08 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.09 1zit h VAL 61 Cb 0.80 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 33.21 1zit h VAL 61 CO -0.04 0.63 -0.02 -3.20 0.02 0.00 0.00 177.57 174.96 1zit n ASN 62 N -4.04 0.37 0.04 0.57 2.85 -1.26 -3.68 115.26 110.11 1zit n ASN 62 Ca -0.26 -0.97 -0.20 0.00 -0.11 0.00 0.00 54.58 53.04 1zit n ASN 62 Cb 0.84 -0.03 -0.11 0.00 1.24 0.00 0.00 39.78 41.71 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 0.55 0.93 -1.10 1.20 3.57 -1.93 -3.28 116.94 116.89 1zit h PHE 63 Ca 0.00 -0.52 0.36 0.00 3.53 0.00 0.00 57.97 61.34 1zit h PHE 63 Cb 0.18 -0.10 -0.14 0.00 2.79 0.00 0.00 35.95 38.68 1zit h PHE 63 CO 0.00 1.36 0.66 0.82 -2.23 0.00 0.00 178.31 178.92 1zit h ILE 64 N 0.24 0.23 0.10 1.41 2.04 -1.73 0.27 117.51 120.06 1zit h ILE 64 Ca -0.13 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 1zit h ILE 64 Cb 1.64 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1zit h ILE 64 CO 0.19 0.04 -0.05 -0.78 0.00 0.00 0.00 178.15 177.55 1zit h ASP 65 N 0.22 -0.11 -0.54 1.72 3.58 -1.81 -2.48 116.42 117.01 1zit h ASP 65 Ca 0.76 -0.27 0.16 0.00 0.42 0.00 0.00 57.03 58.10 1zit h ASP 65 Cb 2.00 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 43.05 1zit h ASP 65 CO -0.54 0.22 0.43 0.15 -2.88 0.00 0.00 179.24 176.62 1zit h PHE 66 N -0.44 0.00 0.28 0.28 3.57 -0.62 0.81 116.94 120.81 1zit h PHE 66 Ca -0.01 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1zit h PHE 66 Cb 0.37 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.11 1zit h PHE 66 CO 0.03 0.00 -0.13 0.82 -2.23 0.00 0.00 178.31 176.80 1zit h ILE 67 N 0.00 0.72 0.00 1.41 1.08 -0.86 -2.67 117.51 117.19 1zit h ILE 67 Ca 0.26 -0.71 -0.02 0.00 -0.39 0.00 0.00 64.86 63.99 1zit h ILE 67 Cb 1.12 1.07 -0.00 0.00 -3.07 0.00 0.00 36.82 35.94 1zit h ILE 67 CO -0.00 0.14 -0.12 0.11 -0.69 0.00 0.00 178.15 177.59 1zit h LYS 68 N -0.78 0.00 0.25 2.37 1.57 -0.78 0.60 116.57 119.80 1zit h LYS 68 Ca -0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1zit h LYS 68 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1zit h LYS 68 CO 0.06 0.12 -0.12 1.49 -0.57 0.00 0.00 179.45 180.43 1zit h GLU 69 N 0.00 -0.33 -0.23 3.15 4.81 0.67 -3.07 114.58 119.59 1zit h GLU 69 Ca -0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1zit h GLU 69 Cb 0.65 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.11 1zit h GLU 69 CO 0.02 -0.11 0.00 0.09 -0.73 0.00 0.00 179.01 178.27 1zit n ASN 70 N -5.17 3.44 -2.73 1.04 3.02 -1.01 -4.74 115.26 109.11 1zit n ASN 70 Ca -0.09 -2.83 -0.07 0.00 -0.03 0.00 0.00 54.58 51.55 1zit n ASN 70 Cb 0.20 -0.46 0.06 0.00 -0.61 0.00 0.00 39.78 38.98 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 -0.48 -2.50 0.26 6.41 7.64 0.21 -4.84 113.62 120.32 1zit n SER 71 Ca 0.18 -3.06 0.17 0.00 1.01 0.00 0.00 58.87 57.16 1zit n SER 71 Cb 0.76 1.64 0.66 0.00 -1.01 0.00 0.00 64.21 66.26 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 3.65 0.00 -0.64 1.43 0.11 -1.66 -2.93 132.00 131.96 1zit h PRO 72 Ca -0.16 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.52 1zit h PRO 72 Cb 1.08 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 31.92 1zit h PRO 72 CO 0.20 0.00 -0.18 -3.47 -0.21 0.00 0.00 178.00 174.34 1zit n ASP 73 N -2.98 4.48 0.00 -2.05 -0.08 -1.26 -5.00 116.55 109.66 1zit n ASP 73 Ca 0.01 -3.78 0.00 0.00 -1.51 0.00 0.00 54.79 49.51 1zit n ASP 73 Cb 0.30 -0.59 0.00 0.00 2.34 0.00 0.00 41.12 43.17 1zit n ASP 73 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1zit n SER 74 N -0.92 0.85 -3.78 1.67 2.88 -1.10 -4.62 113.62 108.59 1zit n SER 74 Ca 0.43 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.85 1zit n SER 74 Cb 0.93 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 64.27 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 1.69 -0.01 -0.74 2.46 1.01 0.30 -4.87 120.40 120.25 1zit s VAL 75 Ca 0.00 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.04 1zit s VAL 75 Cb 0.00 -0.34 0.18 0.00 0.00 0.00 0.00 36.38 36.22 1zit s VAL 75 CO 0.00 0.01 0.54 -0.69 0.00 0.00 0.00 175.10 174.96 1zit s VAL 76 N 0.27 3.16 0.02 2.92 1.01 -1.26 0.71 120.40 127.22 1zit s VAL 76 Ca -0.01 -4.20 -0.26 0.00 0.00 0.00 0.00 61.98 57.51 1zit s VAL 76 Cb -0.03 -3.05 -0.17 0.00 0.00 0.00 0.00 36.38 33.14 1zit s VAL 76 CO -0.01 -1.02 1.30 0.40 0.00 0.00 0.00 175.10 175.78 1zit h ILE 77 N 4.35 0.62 -5.79 2.22 1.08 -1.70 0.27 117.51 118.55 1zit h ILE 77 Ca 0.14 -0.47 -0.00 0.00 -0.39 0.00 0.00 64.86 64.14 1zit h ILE 77 Cb 0.77 0.85 0.00 0.00 -3.07 0.00 0.00 36.82 35.36 1zit h ILE 77 CO 0.74 0.09 -1.00 0.52 -0.69 0.00 0.00 178.15 177.81 1zit n VAL 78 N -5.19 -6.79 -2.96 1.67 0.31 -1.25 -4.32 118.33 99.80 1zit n VAL 78 Ca -0.10 1.13 -0.08 0.00 -0.01 0.00 0.00 64.34 65.28 1zit n VAL 78 Cb 0.27 -4.88 0.03 0.00 -0.91 0.00 0.00 33.84 28.35 1zit n VAL 78 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1zit n ILE 79 N 0.99 0.00 -1.30 2.52 5.41 -1.18 -4.20 119.36 121.59 1zit n ILE 79 Ca 0.00 -0.78 0.00 0.00 1.00 0.00 0.00 62.75 62.97 1zit n ILE 79 Cb 0.27 -0.84 0.00 0.00 -0.71 0.00 0.00 39.64 38.36 1zit n ILE 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1zit n THR 80 N -1.56 -2.61 0.00 1.39 -1.04 -1.26 -3.58 114.28 105.62 1zit n THR 80 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1zit n THR 80 Cb 0.25 -3.28 0.00 0.00 -1.82 0.00 0.00 70.33 65.47 1zit n THR 80 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1zit n GLY 81 N 0.02 -1.48 0.10 3.41 0.00 -1.26 -4.52 105.19 101.46 1zit n GLY 81 Ca 0.00 0.44 -0.09 0.00 0.00 0.00 0.00 46.02 46.36 1zit n GLY 81 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1zit h HIS 82 N 0.00 -0.12 0.00 1.61 2.76 -1.98 -3.42 115.15 113.99 1zit h HIS 82 Ca 0.00 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1zit h HIS 82 Cb 0.00 0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.00 1zit h HIS 82 CO 0.00 0.34 0.00 0.41 -1.30 0.00 0.00 177.93 177.38 1zit n GLY 83 N 1.08 -2.13 3.60 5.26 0.00 -1.26 -4.48 105.19 107.26 1zit n GLY 83 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 1zit n GLY 83 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1zit s SER 84 N -2.13 5.69 -0.06 1.61 0.15 -1.26 -4.83 113.70 112.86 1zit s SER 84 Ca 0.00 1.64 0.12 0.00 0.70 0.00 0.00 55.95 58.41 1zit s SER 84 Cb 0.00 -2.52 0.44 0.00 -1.71 0.00 0.00 66.02 62.24 1zit s SER 84 CO 0.00 -1.82 1.30 0.52 1.20 0.00 0.00 173.24 174.44 1zit n VAL 85 N 7.54 1.08 0.46 4.45 0.31 -1.26 -3.88 118.33 127.03 1zit n VAL 85 Ca 0.26 -0.71 0.12 0.00 -0.01 0.00 0.00 64.34 64.00 1zit n VAL 85 Cb 0.46 0.01 0.07 0.00 -0.91 0.00 0.00 33.84 33.46 1zit n VAL 85 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1zit n ASP 86 N 0.63 0.66 0.08 4.52 -0.08 -1.26 -3.87 116.55 117.23 1zit n ASP 86 Ca 0.16 0.02 -0.12 0.00 -1.51 0.00 0.00 54.79 53.33 1zit n ASP 86 Cb 0.58 0.54 -0.13 0.00 2.34 0.00 0.00 41.12 44.45 1zit n ASP 86 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1zit h THR 87 N 0.00 1.58 0.79 5.18 1.03 -1.96 -2.69 112.91 116.85 1zit h THR 87 Ca 0.00 -3.21 -0.04 0.00 -0.01 0.00 0.00 66.41 63.15 1zit h THR 87 Cb 0.79 2.90 0.01 0.00 -1.07 0.00 0.00 68.15 70.78 1zit h THR 87 CO 0.00 0.93 -0.38 0.00 -0.01 0.00 0.00 175.52 176.06 1zit h ALA 88 N 0.76 -1.06 0.00 0.00 0.00 -1.80 -0.85 119.26 116.31 1zit h ALA 88 Ca -0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1zit h ALA 88 Cb 1.89 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 20.09 1zit h ALA 88 CO 0.17 -1.08 -0.07 -0.39 0.00 0.00 0.00 179.25 177.88 1zit h VAL 89 N -1.09 0.75 0.00 0.00 -1.51 -1.67 0.47 116.25 113.20 1zit h VAL 89 Ca -0.11 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 65.11 1zit h VAL 89 Cb 0.82 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 31.13 1zit h VAL 89 CO 0.18 0.06 -0.04 1.17 -1.23 0.00 0.00 177.57 177.72 1zit n LYS 90 N -4.03 0.16 -0.01 5.19 4.81 -0.98 -2.62 118.16 120.67 1zit n LYS 90 Ca -0.03 0.13 0.01 0.00 -0.87 0.00 0.00 58.31 57.55 1zit n LYS 90 Cb 0.15 -1.68 -0.05 0.00 0.02 0.00 0.00 35.03 33.47 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 -1.68 2.07 0.55 3.14 0.00 -0.33 -4.60 120.51 119.66 1zit n ALA 91 Ca 0.06 -0.26 0.12 0.00 0.00 0.00 0.00 53.44 53.36 1zit n ALA 91 Cb 0.40 -0.07 0.12 0.00 0.00 0.00 0.00 19.45 19.90 1zit n ALA 91 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1zit n ILE 92 N -1.94 0.31 -0.06 0.00 -5.35 0.15 -3.94 119.36 108.54 1zit n ILE 92 Ca -0.05 -0.28 -0.15 0.00 -0.27 0.00 0.00 62.75 62.01 1zit n ILE 92 Cb 0.40 -0.04 -0.06 0.00 -1.74 0.00 0.00 39.64 38.19 1zit n ILE 92 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1zit h LYS 93 N 0.00 0.63 -0.77 6.28 1.57 -1.71 -3.00 116.57 119.59 1zit h LYS 93 Ca 0.00 -0.42 0.13 0.00 -1.87 0.00 0.00 60.65 58.49 1zit h LYS 93 Cb 0.75 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.07 1zit h LYS 93 CO 0.00 1.04 0.51 -0.22 -0.57 0.00 0.00 179.45 180.21 1zit h LYS 94 N 0.32 0.50 0.00 3.15 3.64 -1.83 -3.43 116.57 118.91 1zit h LYS 94 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1zit h LYS 94 Cb 1.04 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1zit h LYS 94 CO 0.09 0.33 0.00 0.41 -2.27 0.00 0.00 179.45 178.02 1zit n GLY 95 N -1.49 0.00 0.00 5.01 0.00 -1.19 -4.96 105.19 102.56 1zit n GLY 95 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.27 4.61 0.00 -1.14 -4.80 120.51 117.91 1zit n ALA 96 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1zit n ALA 96 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.67 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 -1.16 1.63 0.00 0.00 9.36 0.94 -4.87 117.16 123.06 1zit n TYR 97 Ca 0.00 -1.47 0.00 0.00 3.32 0.00 0.00 57.90 59.75 1zit n TYR 97 Cb 0.00 -0.58 0.00 0.00 -0.63 0.00 0.00 39.34 38.13 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 -0.89 0.00 -3.06 2.98 0.28 -1.26 -4.83 120.64 113.85 1zit n GLU 98 Ca 0.37 0.00 -0.44 0.00 -0.16 0.00 0.00 57.16 56.94 1zit n GLU 98 Cb 1.18 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 34.00 1zit n GLU 98 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1zit s PHE 99 N -3.03 2.96 0.56 -1.84 0.40 -1.26 -4.59 117.98 111.18 1zit s PHE 99 Ca 0.00 -0.48 -0.21 0.00 -0.60 0.00 0.00 56.93 55.64 1zit s PHE 99 Cb 0.00 -3.77 -0.05 0.00 0.51 0.00 0.00 43.02 39.71 1zit s PHE 99 CO 0.00 -1.18 1.21 -0.11 0.70 0.00 0.00 175.22 175.83 1zit n LEU 100 N 6.59 4.80 -4.96 -0.37 7.94 -1.26 -5.01 117.00 124.72 1zit n LEU 100 Ca -0.05 0.92 -0.19 0.00 -1.11 0.00 0.00 56.01 55.58 1zit n LEU 100 Cb 0.45 -1.50 -0.01 0.00 0.53 0.00 0.00 43.42 42.90 1zit n LEU 100 CO 0.57 -1.07 0.06 -1.61 -1.11 0.00 0.00 177.39 174.24 1zit s GLU 101 N -2.82 2.87 -0.96 1.96 0.41 -1.26 -4.44 118.70 114.46 1zit s GLU 101 Ca 0.73 -1.22 -0.03 0.00 -0.41 0.00 0.00 54.97 54.04 1zit s GLU 101 Cb -0.43 -2.68 -0.04 0.00 -1.78 0.00 0.00 34.13 29.21 1zit s GLU 101 CO 0.48 -0.09 0.82 1.63 -0.49 0.00 0.00 175.26 177.61 1zit n LYS 102 N -1.66 -3.48 -2.29 1.61 5.02 -1.26 -4.88 118.16 111.22 1zit n LYS 102 Ca 0.03 0.74 -0.34 0.00 -2.02 0.00 0.00 58.31 56.72 1zit n LYS 102 Cb 0.59 -5.31 -0.04 0.00 -0.02 0.00 0.00 35.03 30.26 1zit n LYS 102 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1zit s PRO 103 N -4.60 3.14 0.15 1.97 0.04 -1.26 -4.21 135.00 130.22 1zit s PRO 103 Ca 0.23 -1.41 0.00 0.00 0.04 0.00 0.00 61.00 59.86 1zit s PRO 103 Cb -0.03 -5.35 0.00 0.00 0.04 0.00 0.00 34.50 29.16 1zit s PRO 103 CO 0.63 -3.17 0.00 0.34 0.04 0.00 0.00 177.00 174.84 1zit n PHE 104 N 11.73 -2.02 -0.27 0.56 -0.00 -1.26 -4.93 117.46 121.27 1zit n PHE 104 Ca 0.45 0.39 0.12 0.00 -0.00 0.00 0.00 57.45 58.40 1zit n PHE 104 Cb 0.47 1.13 0.30 0.00 -0.00 0.00 0.00 39.48 41.37 1zit n PHE 104 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1zit n SER 105 N -2.89 3.85 -3.09 -2.13 2.88 -1.26 -4.67 113.62 106.31 1zit n SER 105 Ca 0.00 -2.00 -0.21 0.00 -1.33 0.00 0.00 58.87 55.33 1zit n SER 105 Cb 0.00 -0.45 -0.04 0.00 -0.75 0.00 0.00 64.21 62.97 1zit n SER 105 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1zit n VAL 106 N 1.58 0.00 0.03 2.46 0.24 -1.26 -4.76 118.33 116.62 1zit n VAL 106 Ca 0.23 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.41 1zit n VAL 106 Cb 0.61 -0.24 -0.09 0.00 -1.47 0.00 0.00 33.84 32.65 1zit n VAL 106 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1zit h GLU 107 N -0.42 -0.12 -0.33 7.34 4.81 -1.91 -2.17 114.58 121.79 1zit h GLU 107 Ca -0.29 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 58.99 1zit h GLU 107 Cb 0.88 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.27 1zit h GLU 107 CO 0.44 0.36 0.22 0.00 -0.73 0.00 0.00 179.01 179.30 1zit h ARG 108 N -0.66 0.28 -0.63 1.92 2.47 -1.90 0.18 114.38 116.03 1zit h ARG 108 Ca -0.01 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.67 1zit h ARG 108 Cb 0.53 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.75 1zit h ARG 108 CO 0.02 0.18 0.32 0.35 0.56 0.00 0.00 179.97 181.41 1zit h PHE 109 N 0.28 0.86 0.57 3.04 3.57 -1.87 -1.11 116.94 122.29 1zit h PHE 109 Ca 0.14 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1zit h PHE 109 Cb 0.20 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 1zit h PHE 109 CO -0.00 0.62 -0.51 1.25 -2.23 0.00 0.00 178.31 177.44 1zit h LEU 110 N 0.88 -1.37 -0.30 0.59 6.46 0.01 0.47 115.31 122.06 1zit h LEU 110 Ca 0.22 0.10 0.00 0.00 -0.12 0.00 0.00 57.88 58.09 1zit h LEU 110 Cb 0.06 0.44 -0.01 0.00 -0.73 0.00 0.00 40.66 40.41 1zit h LEU 110 CO -0.03 -0.69 0.19 -0.07 -0.62 0.00 0.00 178.44 177.22 1zit h LEU 111 N -1.06 0.35 -0.93 2.25 4.07 -1.42 -2.70 115.31 115.86 1zit h LEU 111 Ca -0.07 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.85 1zit h LEU 111 Cb 0.90 -0.09 -0.04 0.00 1.08 0.00 0.00 40.66 42.51 1zit h LEU 111 CO -0.03 0.27 0.54 0.74 -1.08 0.00 0.00 178.44 178.88 1zit h THR 112 N 0.40 1.26 -0.36 0.22 2.02 -1.10 -2.95 112.91 112.39 1zit h THR 112 Ca 0.11 -0.60 0.08 0.00 0.77 0.00 0.00 66.41 66.77 1zit h THR 112 Cb -0.03 -0.03 -0.08 0.00 -1.74 0.00 0.00 68.15 66.27 1zit h THR 112 CO -0.02 0.28 -0.22 0.40 0.37 0.00 0.00 175.52 176.33 1zit h ILE 113 N 1.29 0.39 -0.49 3.11 1.08 0.28 -1.90 117.51 121.26 1zit h ILE 113 Ca 0.33 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.89 1zit h ILE 113 Cb -0.02 0.39 -0.10 0.00 -3.07 0.00 0.00 36.82 34.02 1zit h ILE 113 CO -0.06 0.00 -0.38 0.50 -0.69 0.00 0.00 178.15 177.52 1zit h LYS 114 N -0.17 -0.24 -0.29 2.37 3.11 -1.41 0.74 116.57 120.68 1zit h LYS 114 Ca 0.18 0.02 0.08 0.00 -2.81 0.00 0.00 60.65 58.12 1zit h LYS 114 Cb 0.45 0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.72 1zit h LYS 114 CO -0.46 -0.16 0.26 0.45 -2.81 0.00 0.00 179.45 176.73 1zit h HIS 115 N -0.24 0.00 -0.39 1.91 3.86 -1.44 0.30 115.15 119.14 1zit h HIS 115 Ca 0.18 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.31 1zit h HIS 115 Cb 0.56 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.01 1zit h HIS 115 CO -0.63 0.00 -0.10 0.00 0.86 0.00 0.00 177.93 178.06 1zit h ALA 116 N 1.75 1.10 0.13 2.45 0.00 0.12 0.92 119.26 125.73 1zit h ALA 116 Ca 0.14 -0.29 -0.28 0.00 0.00 0.00 0.00 54.91 54.48 1zit h ALA 116 Cb 0.66 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1zit h ALA 116 CO -0.00 0.56 -1.30 0.74 0.00 0.00 0.00 179.25 179.24 1zit h PHE 117 N 0.62 0.50 0.00 0.00 -1.00 -0.50 -2.45 116.94 114.11 1zit h PHE 117 Ca 0.11 -0.37 -0.02 0.00 2.81 0.00 0.00 57.97 60.50 1zit h PHE 117 Cb 0.53 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 40.07 1zit h PHE 117 CO 0.02 1.31 -0.16 0.93 -1.61 0.00 0.00 178.31 178.80 1zit h GLU 118 N 0.08 0.00 0.00 1.51 4.39 -1.19 -1.18 114.58 118.19 1zit h GLU 118 Ca -0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.54 1zit h GLU 118 Cb 1.99 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.64 1zit h GLU 118 CO 0.20 0.58 0.00 0.39 -1.16 0.00 0.00 179.01 179.02 1zit n GLU 119 N -4.65 0.17 -2.81 2.33 1.02 0.32 -3.24 120.64 113.77 1zit n GLU 119 Ca -0.09 0.13 -0.01 0.00 -0.02 0.00 0.00 57.16 57.18 1zit n GLU 119 Cb 0.32 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.29 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 -1.37 1.00 1.02 -0.32 4.19 -0.92 -5.00 117.16 115.76 1zit n TYR 120 Ca 0.07 -2.17 0.08 0.00 3.31 0.00 0.00 57.90 59.19 1zit n TYR 120 Cb 0.18 -0.11 0.49 0.00 0.49 0.00 0.00 39.34 40.39 1zit n TYR 120 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22