#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 3.71 -0.29 0.03 -0.14 -1.26 -5.06 119.74 116.74 1zit s LYS 2 Ca 0.00 -0.46 -0.01 0.00 -1.36 0.00 0.00 55.97 54.14 1zit s LYS 2 Cb 0.00 -3.19 0.13 0.00 -1.68 0.00 0.00 37.83 33.09 1zit s LYS 2 CO 0.00 0.01 0.28 1.03 -0.76 0.00 0.00 175.35 175.91 1zit s ARG 3 N 1.06 0.31 0.44 1.68 3.00 -1.26 -0.98 118.95 123.21 1zit s ARG 3 Ca 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 55.73 55.60 1zit s ARG 3 Cb -0.14 -0.71 -0.03 0.00 0.00 0.00 0.00 34.95 34.07 1zit s ARG 3 CO 0.02 -1.01 0.70 0.08 0.00 0.00 0.00 175.30 175.10 1zit s VAL 4 N 2.35 4.71 -0.11 3.52 1.01 -1.03 -4.02 120.40 126.83 1zit s VAL 4 Ca 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.90 1zit s VAL 4 Cb -0.14 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1zit s VAL 4 CO -0.32 -0.63 -0.03 -0.22 0.00 0.00 0.00 175.10 173.89 1zit s LEU 5 N -4.59 3.33 -0.48 3.92 2.96 0.18 -1.57 118.68 122.43 1zit s LEU 5 Ca 0.46 -0.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.39 1zit s LEU 5 Cb -0.10 -1.77 0.13 0.00 0.50 0.00 0.00 46.19 44.96 1zit s LEU 5 CO 0.41 0.29 0.24 -0.69 -1.32 0.00 0.00 176.35 175.29 1zit s VAL 6 N -0.39 2.10 -0.56 1.68 1.01 -1.26 0.12 120.40 123.10 1zit s VAL 6 Ca 0.06 -2.98 -0.22 0.00 0.00 0.00 0.00 61.98 58.84 1zit s VAL 6 Cb -0.12 -2.46 0.05 0.00 0.00 0.00 0.00 36.38 33.85 1zit s VAL 6 CO 0.02 -0.83 0.84 -0.69 0.00 0.00 0.00 175.10 174.44 1zit s VAL 7 N 0.01 4.54 0.01 2.92 1.01 0.16 0.07 120.40 129.11 1zit s VAL 7 Ca 0.17 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.03 1zit s VAL 7 Cb -0.25 -4.50 -0.01 0.00 0.00 0.00 0.00 36.38 31.62 1zit s VAL 7 CO -0.00 -1.09 -0.04 -0.62 0.00 0.00 0.00 175.10 173.35 1zit s ASP 8 N 3.00 0.42 -0.34 3.32 2.15 -1.21 0.14 116.67 124.14 1zit s ASP 8 Ca 0.23 -0.18 -0.04 0.00 0.43 0.00 0.00 52.55 52.99 1zit s ASP 8 Cb -0.16 -0.01 0.01 0.00 -0.30 0.00 0.00 42.92 42.46 1zit s ASP 8 CO 0.15 -0.04 2.85 -0.67 -0.17 0.00 0.00 175.17 177.29 1zit n ASP 9 N 2.60 6.21 -3.24 -0.34 2.03 -0.94 -3.85 116.55 119.02 1zit n ASP 9 Ca -0.15 -3.03 0.03 0.00 0.52 0.00 0.00 54.79 52.15 1zit n ASP 9 Cb 0.58 -1.25 -0.02 0.00 -0.72 0.00 0.00 41.12 39.71 1zit n ASP 9 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1zit s GLU 10 N -1.16 0.55 0.39 -0.67 2.56 -1.26 -4.52 118.70 114.58 1zit s GLU 10 Ca 0.56 1.05 0.00 0.00 0.00 0.00 0.00 54.97 56.58 1zit s GLU 10 Cb 0.35 0.59 0.00 0.00 2.00 0.00 0.00 34.13 37.07 1zit s GLU 10 CO -0.15 -0.51 0.00 -1.91 -0.56 0.00 0.00 175.26 172.13 1zit n GLU 11 N 5.43 -2.15 0.09 4.30 2.13 -1.26 -4.56 120.64 124.61 1zit n GLU 11 Ca -0.03 1.42 -0.04 0.00 0.66 0.00 0.00 57.16 59.17 1zit n GLU 11 Cb 0.51 -2.62 -0.02 0.00 0.27 0.00 0.00 31.44 29.58 1zit n GLU 11 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1zit h SER 12 N -0.99 -0.20 -2.22 4.31 0.02 -1.93 -3.46 113.55 109.09 1zit h SER 12 Ca 0.02 0.01 -0.45 0.00 -0.84 0.00 0.00 61.79 60.52 1zit h SER 12 Cb 0.97 0.05 0.01 0.00 0.14 0.00 0.00 62.40 63.57 1zit h SER 12 CO 0.01 -0.08 -0.31 -0.63 -1.14 0.00 0.00 176.83 174.68 1zit s ILE 13 N -2.75 4.56 0.16 3.27 -1.09 -1.26 -4.48 121.20 119.60 1zit s ILE 13 Ca -0.03 -0.84 -0.14 0.00 -2.23 0.00 0.00 60.65 57.41 1zit s ILE 13 Cb 0.00 -3.62 -0.07 0.00 -1.58 0.00 0.00 42.46 37.19 1zit s ILE 13 CO 0.10 -0.29 0.55 0.42 -1.23 0.00 0.00 174.94 174.49 1zit s THR 14 N -2.20 4.86 0.24 2.92 -4.23 -1.26 -4.99 115.64 110.98 1zit s THR 14 Ca 0.42 0.80 -0.31 0.00 -1.18 0.00 0.00 61.69 61.41 1zit s THR 14 Cb -0.09 -3.72 -0.13 0.00 1.34 0.00 0.00 72.50 69.90 1zit s THR 14 CO 0.32 0.20 1.55 -0.24 -0.54 0.00 0.00 174.62 175.91 1zit n SER 15 N 0.68 3.41 0.00 3.99 2.88 -1.26 -2.19 113.62 121.12 1zit n SER 15 Ca -0.04 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.62 1zit n SER 15 Cb 0.52 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.47 1zit n SER 15 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1zit n SER 16 N 2.60 0.00 0.33 -3.46 2.88 -1.26 -4.78 113.62 109.93 1zit n SER 16 Ca 0.12 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.52 1zit n SER 16 Cb 0.34 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.73 1zit n SER 16 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1zit h LEU 17 N 0.00 -0.75 -0.64 2.46 6.46 -1.80 -2.22 115.31 118.82 1zit h LEU 17 Ca 0.00 0.02 0.13 0.00 -0.12 0.00 0.00 57.88 57.91 1zit h LEU 17 Cb 0.00 0.19 -0.12 0.00 -0.73 0.00 0.00 40.66 40.00 1zit h LEU 17 CO 0.00 -0.36 -0.14 -1.28 -0.62 0.00 0.00 178.44 176.04 1zit h SER 18 N -1.23 -0.56 -0.50 1.25 0.87 -1.87 1.10 113.55 112.62 1zit h SER 18 Ca -0.09 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1zit h SER 18 Cb 0.69 0.38 -0.02 0.00 -0.44 0.00 0.00 62.40 63.01 1zit h SER 18 CO 0.15 -0.20 0.33 0.00 -0.53 0.00 0.00 176.83 176.57 1zit h ALA 19 N 1.64 1.63 0.10 6.23 0.00 -1.88 -1.32 119.26 125.66 1zit h ALA 19 Ca 0.31 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1zit h ALA 19 Cb 0.49 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1zit h ALA 19 CO -0.65 0.34 -0.05 0.82 0.00 0.00 0.00 179.25 179.71 1zit h ILE 20 N 0.68 0.00 0.00 0.00 2.04 0.59 -3.05 117.51 117.78 1zit h ILE 20 Ca 0.18 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1zit h ILE 20 Cb -0.07 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.01 1zit h ILE 20 CO -0.04 0.00 0.12 0.00 0.00 0.00 0.00 178.15 178.23 1zit n LEU 21 N -3.47 0.14 0.03 1.44 -0.00 0.33 0.34 117.00 115.80 1zit n LEU 21 Ca -0.02 0.47 -0.03 0.00 -0.00 0.00 0.00 56.01 56.44 1zit n LEU 21 Cb 0.06 -0.48 -0.09 0.00 -0.00 0.00 0.00 43.42 42.91 1zit n LEU 21 CO 0.04 -0.52 -0.23 -0.33 -0.00 0.00 0.00 177.39 176.35 1zit h GLU 22 N 0.00 0.00 0.13 1.47 5.08 -1.30 0.14 114.58 120.10 1zit h GLU 22 Ca 0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 1zit h GLU 22 Cb 0.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1zit h GLU 22 CO 0.00 0.43 -1.52 1.49 -1.00 0.00 0.00 179.01 178.42 1zit h GLU 23 N 0.00 0.27 0.00 2.33 4.81 0.00 -3.33 114.58 118.66 1zit h GLU 23 Ca -0.17 -0.46 -0.17 0.00 -0.13 0.00 0.00 59.36 58.43 1zit h GLU 23 Cb 1.70 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 31.23 1zit h GLU 23 CO 0.07 1.14 -0.82 0.93 -0.73 0.00 0.00 179.01 179.60 1zit h GLU 24 N 0.07 0.00 -0.42 1.92 3.07 -1.45 -3.48 114.58 114.30 1zit h GLU 24 Ca -0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.62 1zit h GLU 24 Cb 2.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.93 1zit h GLU 24 CO 0.17 0.82 0.00 0.41 -1.40 0.00 0.00 179.01 179.01 1zit n GLY 25 N 0.85 0.59 0.83 -3.84 0.00 -1.07 -5.10 105.19 97.45 1zit n GLY 25 Ca -0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.31 -2.28 -3.41 1.61 4.01 0.46 -4.77 117.16 112.48 1zit n TYR 26 Ca 0.00 -0.47 -0.24 0.00 -0.16 0.00 0.00 57.90 57.03 1zit n TYR 26 Cb 0.12 -0.11 -0.10 0.00 -0.31 0.00 0.00 39.34 38.94 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 -0.07 0.27 0.17 -0.72 2.46 -0.15 -4.85 115.29 112.40 1zit s HIS 27 Ca 0.11 -1.28 -0.29 0.00 0.47 0.00 0.00 55.06 54.06 1zit s HIS 27 Cb -0.01 -0.68 -0.07 0.00 -0.13 0.00 0.00 32.58 31.69 1zit s HIS 27 CO 0.07 -0.89 0.93 -1.25 -2.47 0.00 0.00 174.74 171.13 1zit s PRO 28 N 1.21 4.75 0.00 2.88 0.04 -1.25 -2.45 135.00 140.18 1zit s PRO 28 Ca 0.18 1.43 0.24 0.00 0.04 0.00 0.00 61.00 62.89 1zit s PRO 28 Cb -0.19 -3.33 0.16 0.00 0.04 0.00 0.00 34.50 31.18 1zit s PRO 28 CO -0.01 0.37 1.23 -0.25 0.04 0.00 0.00 177.00 178.38 1zit n ASP 29 N 2.16 2.66 0.00 6.66 9.92 -0.61 -4.96 116.55 132.38 1zit n ASP 29 Ca -0.00 -1.84 0.00 0.00 -0.53 0.00 0.00 54.79 52.42 1zit n ASP 29 Cb 0.48 0.14 0.00 0.00 -0.64 0.00 0.00 41.12 41.10 1zit n ASP 29 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1zit n THR 30 N 0.91 0.00 -2.85 -3.53 -2.24 -1.26 -4.77 114.28 100.55 1zit n THR 30 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1zit n THR 30 Cb 0.55 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 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 0.14 0.00 -0.01 6.98 0.00 0.11 -4.86 120.51 122.88 1zit n ALA 31 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1zit n ALA 31 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.13 3.14 -1.18 0.00 5.02 -1.25 -3.32 118.16 120.43 1zit n LYS 32 Ca 0.00 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1zit n LYS 32 Cb 0.00 -1.05 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 1zit n LYS 32 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1zit n THR 33 N -2.00 0.00 -0.15 -0.18 -1.04 -1.26 -2.21 114.28 107.44 1zit n THR 33 Ca -0.03 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.88 1zit n THR 33 Cb 0.49 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.00 1zit n THR 33 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1zit h LEU 34 N 0.00 0.67 -0.05 -4.42 3.38 -1.94 0.32 115.31 113.27 1zit h LEU 34 Ca 0.00 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.73 1zit h LEU 34 Cb 0.00 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1zit h LEU 34 CO 0.00 0.75 -0.07 0.03 0.09 0.00 0.00 178.44 179.24 1zit h ARG 35 N 0.56 -0.09 0.00 1.13 -0.00 -1.99 0.55 114.38 114.53 1zit h ARG 35 Ca 0.13 0.01 -0.09 0.00 -0.50 0.00 0.00 59.98 59.52 1zit h ARG 35 Cb 0.36 0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.34 1zit h ARG 35 CO 0.01 -0.06 -0.45 0.93 0.00 0.00 0.00 179.97 180.40 1zit h GLU 36 N -0.10 0.00 0.00 0.04 3.07 -1.93 -2.53 114.58 113.13 1zit h GLU 36 Ca 0.04 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.75 1zit h GLU 36 Cb 0.16 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 1zit h GLU 36 CO -0.10 0.45 -0.74 0.00 -1.40 0.00 0.00 179.01 177.21 1zit h ALA 37 N 1.55 0.73 -0.13 3.43 0.00 0.40 -2.38 119.26 122.85 1zit h ALA 37 Ca -0.00 -0.68 -0.20 0.00 0.00 0.00 0.00 54.91 54.03 1zit h ALA 37 Cb 0.81 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1zit h ALA 37 CO 0.06 0.93 -0.71 0.93 0.00 0.00 0.00 179.25 180.45 1zit h GLU 38 N 0.00 0.61 -0.27 0.00 5.08 0.34 -0.78 114.58 119.56 1zit h GLU 38 Ca -0.01 -0.47 -0.12 0.00 -1.00 0.00 0.00 59.36 57.76 1zit h GLU 38 Cb 1.35 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 1zit h GLU 38 CO 0.10 1.09 -0.32 -0.22 -1.00 0.00 0.00 179.01 178.66 1zit h LYS 39 N 0.42 0.57 -0.01 2.33 3.11 -1.42 0.81 116.57 122.38 1zit h LYS 39 Ca -0.03 -0.25 -0.18 0.00 -2.81 0.00 0.00 60.65 57.37 1zit h LYS 39 Cb 1.31 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.51 1zit h LYS 39 CO 0.14 0.82 -0.81 0.87 -2.81 0.00 0.00 179.45 177.65 1zit h LYS 40 N 0.48 0.19 0.00 1.90 1.79 -1.34 -3.21 116.57 116.38 1zit h LYS 40 Ca 0.06 -0.19 -0.12 0.00 -2.18 0.00 0.00 60.65 58.22 1zit h LYS 40 Cb 0.79 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.47 1zit h LYS 40 CO 0.06 0.90 -1.06 0.82 -1.08 0.00 0.00 179.45 179.09 1zit h ILE 41 N 0.11 0.52 -0.46 1.86 2.04 -0.93 -2.44 117.51 118.22 1zit h ILE 41 Ca -0.03 -1.90 0.13 0.00 1.00 0.00 0.00 64.86 64.06 1zit h ILE 41 Cb 1.41 2.07 -0.02 0.00 -0.74 0.00 0.00 36.82 39.55 1zit h ILE 41 CO 0.12 0.30 0.51 0.50 0.00 0.00 0.00 178.15 179.58 1zit h LYS 42 N 0.00 0.00 0.00 2.37 3.11 0.65 -3.33 116.57 119.37 1zit h LYS 42 Ca -0.09 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.75 1zit h LYS 42 Cb 1.44 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.67 1zit h LYS 42 CO 0.04 0.00 0.00 0.39 -2.81 0.00 0.00 179.45 177.07 1zit n GLU 43 N -3.65 0.00 -1.69 1.90 1.02 -1.25 -5.03 120.64 111.93 1zit n GLU 43 Ca 0.09 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.81 1zit n GLU 43 Cb 0.69 -0.32 -0.03 0.00 -0.02 0.00 0.00 31.44 31.77 1zit n GLU 43 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1zit s LEU 44 N -6.68 4.42 -1.21 -4.62 2.01 -0.92 -4.90 118.68 106.78 1zit s LEU 44 Ca 0.00 2.72 -0.11 0.00 0.01 0.00 0.00 54.13 56.75 1zit s LEU 44 Cb 0.00 -3.55 0.20 0.00 0.01 0.00 0.00 46.19 42.85 1zit s LEU 44 CO 0.00 -1.03 1.52 0.33 1.01 0.00 0.00 176.35 178.18 1zit n PHE 45 N 6.54 4.21 -2.02 0.29 7.35 -1.26 -4.32 117.46 128.25 1zit n PHE 45 Ca 0.19 -3.21 -0.40 0.00 -0.76 0.00 0.00 57.45 53.27 1zit n PHE 45 Cb 0.39 -1.98 -0.01 0.00 0.35 0.00 0.00 39.48 38.24 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 0.46 2.83 -0.33 -5.13 0.08 -1.26 -4.93 117.98 109.70 1zit s PHE 46 Ca 0.39 1.36 0.22 0.00 0.12 0.00 0.00 56.93 59.03 1zit s PHE 46 Cb 0.00 -3.75 0.17 0.00 -0.57 0.00 0.00 43.02 38.87 1zit s PHE 46 CO 0.00 -2.22 1.34 -1.00 -0.10 0.00 0.00 175.22 173.24 1zit h PRO 47 N 2.95 0.00 -3.06 0.24 0.14 -1.95 -3.41 132.00 126.90 1zit h PRO 47 Ca -0.50 0.00 -0.19 0.00 0.14 0.00 0.00 66.00 65.46 1zit h PRO 47 Cb 1.24 0.00 -0.29 0.00 0.14 0.00 0.00 31.00 32.09 1zit h PRO 47 CO 0.64 0.04 -0.47 0.08 0.14 0.00 0.00 178.00 178.42 1zit s VAL 48 N -3.25 -0.03 0.23 1.56 1.01 -1.26 0.37 120.40 119.03 1zit s VAL 48 Ca 0.03 0.10 0.10 0.00 0.00 0.00 0.00 61.98 62.22 1zit s VAL 48 Cb 0.07 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 1zit s VAL 48 CO 0.73 0.04 -0.13 -0.63 0.00 0.00 0.00 175.10 175.11 1zit s ILE 49 N 0.92 2.92 -0.31 2.22 -1.09 0.13 0.52 121.20 126.51 1zit s ILE 49 Ca -0.07 -1.98 0.02 0.00 -2.23 0.00 0.00 60.65 56.39 1zit s ILE 49 Cb -0.08 -2.49 0.15 0.00 -1.58 0.00 0.00 42.46 38.47 1zit s ILE 49 CO -0.06 -0.25 0.37 -0.69 -1.23 0.00 0.00 174.94 173.08 1zit s VAL 50 N -2.05 -0.50 -0.13 2.92 1.01 0.32 -2.45 120.40 119.52 1zit s VAL 50 Ca 0.27 -0.50 -0.18 0.00 0.00 0.00 0.00 61.98 61.57 1zit s VAL 50 Cb -0.07 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1zit s VAL 50 CO 0.15 -0.40 0.46 -0.22 0.00 0.00 0.00 175.10 175.08 1zit s LEU 51 N 2.23 4.26 -0.27 3.92 2.96 -1.26 0.36 118.68 130.87 1zit s LEU 51 Ca 0.11 0.77 -0.05 0.00 -0.22 0.00 0.00 54.13 54.74 1zit s LEU 51 Cb -0.13 -2.66 0.01 0.00 0.50 0.00 0.00 46.19 43.91 1zit s LEU 51 CO -0.25 -0.00 0.03 -0.62 -1.32 0.00 0.00 176.35 174.19 1zit s ASP 52 N 0.65 4.82 -1.05 3.68 -1.08 0.37 -2.54 116.67 121.53 1zit s ASP 52 Ca 0.25 -0.70 -0.08 0.00 -0.52 0.00 0.00 52.55 51.50 1zit s ASP 52 Cb -0.15 -1.81 -0.13 0.00 -1.46 0.00 0.00 42.92 39.37 1zit s ASP 52 CO 0.09 -0.15 3.00 1.33 0.52 0.00 0.00 175.17 179.97 1zit n VAL 53 N 4.81 3.63 0.00 1.11 0.24 -1.26 -4.05 118.33 122.80 1zit n VAL 53 Ca -0.15 -2.08 0.00 0.00 -2.04 0.00 0.00 64.34 60.06 1zit n VAL 53 Cb 0.48 -2.36 0.00 0.00 -1.47 0.00 0.00 33.84 30.49 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 3.33 0.00 -2.74 6.34 -0.00 -1.26 -4.79 117.44 118.32 1zit n TRP 54 Ca 0.63 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 58.09 1zit n TRP 54 Cb 0.41 0.00 0.07 0.00 -0.00 0.00 0.00 31.31 31.79 1zit n TRP 54 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 177.69 177.57 1zit n MET 55 N -0.31 1.42 0.00 5.87 0.00 -1.26 -5.06 117.12 117.77 1zit n MET 55 Ca 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 57.70 55.02 1zit n MET 55 Cb 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 33.22 32.39 1zit n MET 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1zit n PRO 56 N -0.67 0.28 0.00 2.12 -0.04 -1.26 -5.00 135.00 130.43 1zit n PRO 56 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1zit n PRO 56 Cb 0.83 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.29 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 -1.65 2.10 -4.75 3.54 8.00 -1.26 -5.07 116.55 117.46 1zit n ASP 57 Ca 0.00 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.13 1zit n ASP 57 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1zit n ASP 57 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1zit s GLY 58 N -4.10 2.80 -0.28 0.44 0.00 -1.26 -4.94 107.32 99.99 1zit s GLY 58 Ca 0.00 1.11 -0.29 0.00 0.00 0.00 0.00 44.72 45.54 1zit s GLY 58 CO 0.00 1.55 1.26 -0.35 0.00 0.00 0.00 173.10 175.56 1zit s ASP 59 N -1.33 6.77 0.25 1.64 2.15 -1.26 -4.90 116.67 119.99 1zit s ASP 59 Ca 0.73 1.28 0.09 0.00 0.43 0.00 0.00 52.55 55.08 1zit s ASP 59 Cb -0.33 -2.54 0.28 0.00 -0.30 0.00 0.00 42.92 40.03 1zit s ASP 59 CO 0.38 -0.99 1.57 1.23 -0.17 0.00 0.00 175.17 177.20 1zit h GLY 60 N 10.53 0.03 0.42 2.66 0.00 -2.00 -3.23 103.07 111.48 1zit h GLY 60 Ca -0.25 -0.03 0.10 0.00 0.00 0.00 0.00 47.33 47.14 1zit h GLY 60 CO 1.02 0.03 0.30 -2.08 0.00 0.00 0.00 176.54 175.81 1zit h VAL 61 N 0.02 0.81 -0.01 4.60 2.07 -1.90 0.11 116.25 121.94 1zit h VAL 61 Ca -0.01 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1zit h VAL 61 Cb 1.17 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1zit h VAL 61 CO 0.09 0.09 0.00 -3.20 0.02 0.00 0.00 177.57 174.57 1zit n ASN 62 N -4.92 0.29 -0.01 0.57 2.85 -1.22 -3.50 115.26 109.33 1zit n ASN 62 Ca 0.10 -1.17 -0.14 0.00 -0.11 0.00 0.00 54.58 53.26 1zit n ASN 62 Cb 0.28 -0.00 -0.14 0.00 1.24 0.00 0.00 39.78 41.16 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 0.44 0.20 -1.00 1.20 3.57 -0.81 -3.36 116.94 117.18 1zit h PHE 63 Ca 0.00 -0.15 0.29 0.00 3.53 0.00 0.00 57.97 61.64 1zit h PHE 63 Cb 0.09 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 1zit h PHE 63 CO 0.00 1.31 0.83 0.82 -2.23 0.00 0.00 178.31 179.05 1zit h ILE 64 N 0.03 0.32 0.07 1.41 5.03 -1.53 0.80 117.51 123.63 1zit h ILE 64 Ca -0.33 0.00 -0.24 0.00 -0.12 0.00 0.00 64.86 64.17 1zit h ILE 64 Cb 2.02 0.39 -0.01 0.00 -3.03 0.00 0.00 36.82 36.19 1zit h ILE 64 CO 0.09 0.00 -1.12 -0.78 -0.68 0.00 0.00 178.15 175.66 1zit h ASP 65 N 0.00 0.25 -0.82 1.72 1.82 -1.80 -3.10 116.42 114.49 1zit h ASP 65 Ca 0.48 -0.26 -0.02 0.00 -0.39 0.00 0.00 57.03 56.83 1zit h ASP 65 Cb 2.14 -0.08 -0.04 0.00 0.68 0.00 0.00 39.33 42.03 1zit h ASP 65 CO -0.01 1.19 0.43 0.15 -1.61 0.00 0.00 179.24 179.39 1zit h PHE 66 N 0.05 1.16 0.04 0.28 3.04 0.44 0.95 116.94 122.90 1zit h PHE 66 Ca -0.08 -0.04 -0.00 0.00 3.98 0.00 0.00 57.97 61.83 1zit h PHE 66 Cb 1.85 -0.37 0.00 0.00 2.56 0.00 0.00 35.95 40.00 1zit h PHE 66 CO 0.04 0.82 -0.02 0.82 -2.02 0.00 0.00 178.31 177.94 1zit h ILE 67 N 1.17 1.09 0.00 1.41 5.03 -1.50 -2.44 117.51 122.27 1zit h ILE 67 Ca 0.29 -0.44 -0.07 0.00 -0.12 0.00 0.00 64.86 64.52 1zit h ILE 67 Cb 0.07 1.38 -0.01 0.00 -3.03 0.00 0.00 36.82 35.23 1zit h ILE 67 CO -0.04 0.11 -0.31 0.07 -0.68 0.00 0.00 178.15 177.30 1zit h LYS 68 N -0.25 0.00 -0.74 2.37 5.09 -1.41 0.84 116.57 122.46 1zit h LYS 68 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1zit h LYS 68 Cb 0.23 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 32.52 1zit h LYS 68 CO 0.01 0.31 0.48 1.49 -2.09 0.00 0.00 179.45 179.65 1zit h GLU 69 N 0.00 0.99 -0.03 0.07 4.81 0.13 -2.98 114.58 117.56 1zit h GLU 69 Ca -0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1zit h GLU 69 Cb 0.70 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1zit h GLU 69 CO 0.04 0.67 0.00 0.09 -0.73 0.00 0.00 179.01 179.08 1zit n ASN 70 N -4.55 2.47 -2.69 1.04 3.02 -0.95 -4.84 115.26 108.76 1zit n ASN 70 Ca 0.07 -2.92 -0.04 0.00 -0.03 0.00 0.00 54.58 51.65 1zit n ASN 70 Cb 0.03 -0.38 0.05 0.00 -0.61 0.00 0.00 39.78 38.87 1zit n ASN 70 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1zit n SER 71 N -1.18 -1.89 -0.09 6.41 2.88 0.29 -4.94 113.62 115.09 1zit n SER 71 Ca 0.14 -1.85 0.13 0.00 -1.33 0.00 0.00 58.87 55.97 1zit n SER 71 Cb 0.61 1.03 0.50 0.00 -0.75 0.00 0.00 64.21 65.59 1zit n SER 71 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1zit n PRO 72 N 2.13 0.46 0.00 -1.46 -0.05 -1.14 -3.62 135.00 131.33 1zit n PRO 72 Ca 0.09 -0.19 0.11 0.00 -0.05 0.00 0.00 63.50 63.45 1zit n PRO 72 Cb 0.65 -1.50 -0.12 0.00 -0.05 0.00 0.00 33.50 32.49 1zit n PRO 72 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 1zit n ASP 73 N -1.11 0.47 -3.39 3.54 -0.08 -1.26 -4.95 116.55 109.78 1zit n ASP 73 Ca 0.11 -0.37 0.00 0.00 -1.51 0.00 0.00 54.79 53.02 1zit n ASP 73 Cb 0.31 1.41 0.00 0.00 2.34 0.00 0.00 41.12 45.18 1zit n ASP 73 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1zit n SER 74 N -1.96 0.00 -3.77 1.67 7.64 -1.24 -4.43 113.62 111.53 1zit n SER 74 Ca -0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 1zit n SER 74 Cb 0.46 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.53 1zit n SER 74 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1zit s VAL 75 N 0.00 -0.03 -0.51 0.44 1.01 0.16 -4.88 120.40 116.58 1zit s VAL 75 Ca 0.00 0.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.98 1zit s VAL 75 Cb 0.00 -0.27 0.13 0.00 0.00 0.00 0.00 36.38 36.24 1zit s VAL 75 CO 0.00 0.04 0.41 -0.69 0.00 0.00 0.00 175.10 174.87 1zit s VAL 76 N 0.80 4.53 -0.17 2.92 1.01 -1.26 0.23 120.40 128.47 1zit s VAL 76 Ca -0.06 -1.79 -0.14 0.00 0.00 0.00 0.00 61.98 60.00 1zit s VAL 76 Cb -0.08 -3.95 -0.09 0.00 0.00 0.00 0.00 36.38 32.27 1zit s VAL 76 CO -0.04 -0.82 -0.05 -0.38 0.00 0.00 0.00 175.10 173.81 1zit n ILE 77 N 4.90 1.46 -3.07 2.22 2.08 -1.03 0.16 119.36 126.08 1zit n ILE 77 Ca -0.08 0.12 -0.11 0.00 0.56 0.00 0.00 62.75 63.24 1zit n ILE 77 Cb 0.41 -2.26 0.01 0.00 -0.75 0.00 0.00 39.64 37.04 1zit n ILE 77 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 1zit n VAL 78 N -4.55 -6.99 -3.69 1.39 0.31 -1.25 -3.65 118.33 99.91 1zit n VAL 78 Ca -0.17 0.84 -0.36 0.00 -0.01 0.00 0.00 64.34 64.65 1zit n VAL 78 Cb 0.42 -5.05 -0.06 0.00 -0.91 0.00 0.00 33.84 28.24 1zit n VAL 78 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1zit s ILE 79 N -1.61 5.23 -4.35 2.52 1.01 -1.05 -4.22 121.20 118.73 1zit s ILE 79 Ca 0.14 0.38 0.00 0.00 0.00 0.00 0.00 60.65 61.17 1zit s ILE 79 Cb -0.02 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.86 1zit s ILE 79 CO 0.57 0.44 0.00 0.35 0.00 0.00 0.00 174.94 176.30 1zit n THR 80 N 1.36 0.00 0.04 2.92 -2.24 -1.26 -4.22 114.28 110.88 1zit n THR 80 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1zit n THR 80 Cb 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 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 -0.50 -0.80 2.41 3.38 0.00 -1.26 -4.62 105.19 103.79 1zit n GLY 81 Ca 0.00 0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 1zit n GLY 81 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1zit n HIS 82 N -2.58 -0.94 0.00 1.61 -0.00 -1.26 -3.05 115.22 108.99 1zit n HIS 82 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1zit n HIS 82 Cb 0.00 -3.93 0.00 0.00 -0.12 0.00 0.00 29.99 25.94 1zit n HIS 82 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1zit n GLY 83 N -0.99 3.40 0.96 1.57 0.00 -1.26 -5.08 105.19 103.79 1zit n GLY 83 Ca -0.24 -0.75 -0.06 0.00 0.00 0.00 0.00 46.02 44.97 1zit n GLY 83 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1zit n SER 84 N 0.00 0.18 -2.24 1.61 2.88 -1.17 -5.07 113.62 109.81 1zit n SER 84 Ca 0.00 -1.64 -0.30 0.00 -1.33 0.00 0.00 58.87 55.60 1zit n SER 84 Cb 0.00 0.43 0.04 0.00 -0.75 0.00 0.00 64.21 63.93 1zit n SER 84 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1zit n VAL 85 N -0.21 3.01 0.09 2.46 0.31 -1.26 -4.32 118.33 118.40 1zit n VAL 85 Ca 0.01 -3.81 -0.01 0.00 -0.01 0.00 0.00 64.34 60.52 1zit n VAL 85 Cb 0.18 -1.17 -0.04 0.00 -0.91 0.00 0.00 33.84 31.90 1zit n VAL 85 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 1zit h ASP 86 N 2.21 0.00 0.17 4.52 3.04 -1.96 -3.27 116.42 121.13 1zit h ASP 86 Ca 0.47 0.00 -0.16 0.00 -3.24 0.00 0.00 57.03 54.10 1zit h ASP 86 Cb 1.10 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.38 1zit h ASP 86 CO 1.13 0.68 -0.58 0.00 -2.04 0.00 0.00 179.24 178.44 1zit h THR 87 N 0.00 1.35 0.57 1.15 1.03 -1.88 -2.92 112.91 112.20 1zit h THR 87 Ca -0.05 -1.88 -0.02 0.00 -0.01 0.00 0.00 66.41 64.46 1zit h THR 87 Cb 1.56 1.88 -0.02 0.00 -1.07 0.00 0.00 68.15 70.51 1zit h THR 87 CO 0.08 0.57 -0.45 0.00 -0.01 0.00 0.00 175.52 175.71 1zit h ALA 88 N 1.06 -1.07 -0.24 0.00 0.00 -1.91 -1.00 119.26 116.10 1zit h ALA 88 Ca -0.00 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.79 1zit h ALA 88 Cb 1.10 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 1zit h ALA 88 CO 0.10 -1.13 0.30 -0.39 0.00 0.00 0.00 179.25 178.13 1zit h VAL 89 N -1.00 0.37 -0.17 0.00 -1.51 -1.63 0.67 116.25 112.99 1zit h VAL 89 Ca -0.07 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.40 1zit h VAL 89 Cb 0.84 0.75 0.00 0.00 -2.13 0.00 0.00 31.29 30.76 1zit h VAL 89 CO -0.00 0.00 0.00 1.17 -1.23 0.00 0.00 177.57 177.51 1zit n LYS 90 N -3.65 1.48 0.00 5.19 4.81 -0.41 -3.73 118.16 121.85 1zit n LYS 90 Ca 0.03 -0.73 0.00 0.00 -0.87 0.00 0.00 58.31 56.74 1zit n LYS 90 Cb 0.43 -1.25 0.00 0.00 0.02 0.00 0.00 35.03 34.23 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 0.02 2.14 0.30 3.14 0.00 0.19 -4.79 120.51 121.51 1zit n ALA 91 Ca 0.11 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.73 1zit n ALA 91 Cb 0.20 0.13 0.84 0.00 0.00 0.00 0.00 19.45 20.62 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 0.00 -0.48 0.00 3.07 -0.45 -1.10 117.51 118.54 1zit h ILE 92 Ca 0.00 -0.21 -0.07 0.00 1.55 0.00 0.00 64.86 66.13 1zit h ILE 92 Cb 0.26 1.09 -0.04 0.00 -0.27 0.00 0.00 36.82 37.87 1zit h ILE 92 CO 0.00 0.00 0.09 0.29 -1.05 0.00 0.00 178.15 177.48 1zit n LYS 93 N -2.84 3.54 0.02 0.16 5.02 -1.24 -4.22 118.16 118.61 1zit n LYS 93 Ca -0.01 -2.31 0.00 0.00 -2.02 0.00 0.00 58.31 53.97 1zit n LYS 93 Cb 0.17 -2.04 0.00 0.00 -0.02 0.00 0.00 35.03 33.14 1zit n LYS 93 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1zit n LYS 94 N 0.25 0.00 -0.16 1.97 4.76 -0.50 -5.02 118.16 119.46 1zit n LYS 94 Ca 0.25 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.69 1zit n LYS 94 Cb 1.03 -0.04 0.00 0.00 -1.84 0.00 0.00 35.03 34.18 1zit n LYS 94 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1zit n GLY 95 N 1.63 0.63 3.97 0.72 0.00 -0.69 -4.96 105.19 106.49 1zit n GLY 95 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1zit n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zit s ALA 96 N 0.00 3.43 -0.58 4.61 0.00 -0.74 -4.45 121.76 124.03 1zit s ALA 96 Ca 0.00 -1.44 0.23 0.00 0.00 0.00 0.00 51.96 50.74 1zit s ALA 96 Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.89 1zit s ALA 96 CO 0.00 -1.45 0.98 0.98 0.00 0.00 0.00 175.76 176.27 1zit n TYR 97 N -2.90 0.25 0.00 0.00 9.36 0.41 -4.74 117.16 119.54 1zit n TYR 97 Ca 0.13 0.07 0.00 0.00 3.32 0.00 0.00 57.90 61.42 1zit n TYR 97 Cb 0.60 -0.43 0.00 0.00 -0.63 0.00 0.00 39.34 38.88 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 -1.98 0.00 -0.60 2.98 0.28 -1.26 -5.07 120.64 114.99 1zit n GLU 98 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 1zit n GLU 98 Cb 0.44 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.31 1zit n GLU 98 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1zit n PHE 99 N 0.00 -1.57 -3.26 -1.84 7.35 -1.24 -4.86 117.46 112.04 1zit n PHE 99 Ca 0.00 0.82 -0.28 0.00 -0.76 0.00 0.00 57.45 57.23 1zit n PHE 99 Cb 0.00 -2.16 -0.03 0.00 0.35 0.00 0.00 39.48 37.64 1zit n PHE 99 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1zit s LEU 100 N -1.52 4.01 0.64 -2.13 2.01 -1.26 -5.04 118.68 115.38 1zit s LEU 100 Ca 0.00 0.73 -0.00 0.00 0.01 0.00 0.00 54.13 54.87 1zit s LEU 100 Cb 0.00 -3.57 0.08 0.00 0.01 0.00 0.00 46.19 42.71 1zit s LEU 100 CO 0.00 -0.25 0.90 -1.61 1.01 0.00 0.00 176.35 176.40 1zit s GLU 101 N -3.73 2.11 -0.28 1.70 2.02 -1.26 -3.99 118.70 115.26 1zit s GLU 101 Ca 0.44 -0.90 -0.07 0.00 0.02 0.00 0.00 54.97 54.47 1zit s GLU 101 Cb -0.10 -2.39 0.01 0.00 0.10 0.00 0.00 34.13 31.74 1zit s GLU 101 CO 0.32 -1.10 0.25 1.17 0.02 0.00 0.00 175.26 175.92 1zit n LYS 102 N -2.62 -2.14 0.00 1.61 4.81 -1.26 -4.86 118.16 113.70 1zit n LYS 102 Ca 0.11 1.93 0.06 0.00 -0.87 0.00 0.00 58.31 59.54 1zit n LYS 102 Cb 0.60 -4.46 0.28 0.00 0.02 0.00 0.00 35.03 31.48 1zit n LYS 102 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1zit n PRO 103 N 0.03 0.13 -0.11 1.64 -0.04 -1.26 -3.32 135.00 132.07 1zit n PRO 103 Ca 0.05 0.21 -0.19 0.00 -0.04 0.00 0.00 63.50 63.53 1zit n PRO 103 Cb 0.19 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.09 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 -1.34 0.17 -3.72 0.54 3.72 -1.26 -4.84 117.46 110.73 1zit n PHE 104 Ca 0.05 0.07 -0.20 0.00 -0.05 0.00 0.00 57.45 57.32 1zit n PHE 104 Cb 0.10 -0.79 -0.02 0.00 -0.94 0.00 0.00 39.48 37.83 1zit n PHE 104 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1zit s SER 105 N -6.66 5.73 0.00 4.37 1.04 -1.21 -4.73 113.70 112.23 1zit s SER 105 Ca -0.32 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 55.84 1zit s SER 105 Cb 0.09 -1.24 0.00 0.00 0.10 0.00 0.00 66.02 64.97 1zit s SER 105 CO 0.45 -0.32 0.48 1.33 0.98 0.00 0.00 173.24 176.16 1zit n VAL 106 N -1.47 0.23 -0.31 5.02 0.24 -1.26 -4.68 118.33 116.10 1zit n VAL 106 Ca -0.03 -0.36 0.18 0.00 -2.04 0.00 0.00 64.34 62.09 1zit n VAL 106 Cb 0.58 1.16 0.34 0.00 -1.47 0.00 0.00 33.84 34.45 1zit n VAL 106 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1zit n GLU 107 N -0.11 -0.07 0.04 7.34 2.13 -1.26 0.21 120.64 128.92 1zit n GLU 107 Ca 0.00 1.34 -0.12 0.00 0.66 0.00 0.00 57.16 59.04 1zit n GLU 107 Cb 0.24 -2.21 -0.01 0.00 0.27 0.00 0.00 31.44 29.74 1zit n GLU 107 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1zit h ARG 108 N 0.00 0.49 -0.21 5.31 9.65 -1.94 -3.00 114.38 124.68 1zit h ARG 108 Ca 0.62 -0.42 0.06 0.00 -1.10 0.00 0.00 59.98 59.13 1zit h ARG 108 Cb 1.40 0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 30.07 1zit h ARG 108 CO -0.82 1.06 0.30 0.35 2.80 0.00 0.00 179.97 183.66 1zit h PHE 109 N 0.32 0.00 -0.36 2.20 3.57 0.21 -1.07 116.94 121.81 1zit h PHE 109 Ca -0.05 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.40 1zit h PHE 109 Cb 1.39 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.12 1zit h PHE 109 CO 0.06 0.00 0.03 1.25 -2.23 0.00 0.00 178.31 177.42 1zit h LEU 110 N 0.00 0.60 0.20 0.59 6.46 -1.15 -1.66 115.31 120.34 1zit h LEU 110 Ca 0.10 -0.29 0.01 0.00 -0.12 0.00 0.00 57.88 57.59 1zit h LEU 110 Cb 0.69 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.43 1zit h LEU 110 CO -0.00 0.73 -0.33 -0.07 -0.62 0.00 0.00 178.44 178.15 1zit h LEU 111 N 0.44 -0.92 -1.05 2.25 4.07 -1.34 -2.42 115.31 116.33 1zit h LEU 111 Ca 0.11 0.10 -0.00 0.00 0.08 0.00 0.00 57.88 58.16 1zit h LEU 111 Cb 0.41 0.34 -0.04 0.00 1.08 0.00 0.00 40.66 42.44 1zit h LEU 111 CO 0.01 -0.43 0.52 0.74 -1.08 0.00 0.00 178.44 178.20 1zit h THR 112 N -0.60 1.24 -0.60 0.22 2.02 -1.60 -3.02 112.91 110.57 1zit h THR 112 Ca 0.01 -0.52 0.11 0.00 0.77 0.00 0.00 66.41 66.78 1zit h THR 112 Cb 0.60 0.02 -0.12 0.00 -1.74 0.00 0.00 68.15 66.91 1zit h THR 112 CO -0.14 0.25 -0.30 0.40 0.37 0.00 0.00 175.52 176.09 1zit h ILE 113 N 1.19 0.20 -0.03 3.11 1.08 -0.79 0.53 117.51 122.79 1zit h ILE 113 Ca 0.31 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.80 1zit h ILE 113 Cb -0.05 0.20 -0.05 0.00 -3.07 0.00 0.00 36.82 33.85 1zit h ILE 113 CO -0.06 0.00 -0.44 0.50 -0.69 0.00 0.00 178.15 177.46 1zit h LYS 114 N -0.14 -0.51 -0.24 2.37 3.11 -1.38 0.22 116.57 120.00 1zit h LYS 114 Ca 0.25 0.03 0.07 0.00 -2.81 0.00 0.00 60.65 58.19 1zit h LYS 114 Cb 0.54 0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.88 1zit h LYS 114 CO -0.68 -0.34 0.22 1.25 -2.81 0.00 0.00 179.45 177.09 1zit h HIS 115 N -0.53 0.00 -0.57 1.91 2.76 -1.41 -1.00 115.15 116.31 1zit h HIS 115 Ca 0.01 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.13 1zit h HIS 115 Cb 0.58 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.52 1zit h HIS 115 CO -0.51 0.00 0.15 0.00 -1.30 0.00 0.00 177.93 176.26 1zit h ALA 116 N 1.79 0.75 0.00 5.26 0.00 0.32 -2.46 119.26 124.92 1zit h ALA 116 Ca 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1zit h ALA 116 Cb 0.56 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1zit h ALA 116 CO -0.00 0.45 -0.11 0.74 0.00 0.00 0.00 179.25 180.33 1zit h PHE 117 N 0.82 0.00 -0.21 0.00 -1.00 0.09 -2.93 116.94 113.71 1zit h PHE 117 Ca 0.18 0.00 0.06 0.00 2.81 0.00 0.00 57.97 61.02 1zit h PHE 117 Cb 0.34 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.89 1zit h PHE 117 CO 0.02 0.11 0.31 0.93 -1.61 0.00 0.00 178.31 178.08 1zit h GLU 118 N 0.00 0.00 0.00 1.51 4.39 -1.23 0.34 114.58 119.59 1zit h GLU 118 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1zit h GLU 118 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1zit h GLU 118 CO 0.01 0.00 0.00 0.39 -1.16 0.00 0.00 179.01 178.25 1zit n GLU 119 N -3.51 0.04 -1.42 2.33 -0.58 -1.11 -3.08 120.64 113.31 1zit n GLU 119 Ca 0.03 0.26 0.02 0.00 -0.42 0.00 0.00 57.16 57.05 1zit n GLU 119 Cb 0.43 -1.57 0.01 0.00 -0.57 0.00 0.00 31.44 29.74 1zit n GLU 119 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 1zit n TYR 120 N -1.64 0.00 -0.50 -0.32 9.36 0.11 -4.89 117.16 119.28 1zit n TYR 120 Ca 0.04 -0.50 0.00 0.00 3.32 0.00 0.00 57.90 60.76 1zit n TYR 120 Cb 0.19 -0.05 0.00 0.00 -0.63 0.00 0.00 39.34 38.85 1zit n TYR 120 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51