#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zit n LYS 2 N 0.00 -4.27 -3.77 2.12 4.76 -1.26 -4.71 118.16 111.03 1zit n LYS 2 Ca 0.00 3.25 -0.13 0.00 -2.87 0.00 0.00 58.31 58.57 1zit n LYS 2 Cb 0.00 -4.81 -0.13 0.00 -1.84 0.00 0.00 35.03 28.25 1zit n LYS 2 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1zit s ARG 3 N -0.73 0.17 0.23 1.97 3.00 -1.26 -2.03 118.95 120.31 1zit s ARG 3 Ca -0.27 0.35 0.08 0.00 0.00 0.00 0.00 55.73 55.90 1zit s ARG 3 Cb 0.02 -0.04 -0.05 0.00 0.00 0.00 0.00 34.95 34.88 1zit s ARG 3 CO 0.74 -0.10 -0.14 0.08 0.00 0.00 0.00 175.30 175.89 1zit s VAL 4 N 0.69 1.84 -0.15 3.52 1.01 -0.91 -3.81 120.40 122.59 1zit s VAL 4 Ca -0.05 -2.23 -0.01 0.00 0.00 0.00 0.00 61.98 59.69 1zit s VAL 4 Cb -0.06 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 1zit s VAL 4 CO -0.04 -0.51 -0.10 -0.22 0.00 0.00 0.00 175.10 174.23 1zit s LEU 5 N -3.37 2.83 -0.68 3.92 2.96 0.19 -2.21 118.68 122.32 1zit s LEU 5 Ca 0.25 -0.30 -0.06 0.00 -0.22 0.00 0.00 54.13 53.79 1zit s LEU 5 Cb -0.01 -1.66 0.18 0.00 0.50 0.00 0.00 46.19 45.20 1zit s LEU 5 CO 0.09 0.14 0.53 -0.69 -1.32 0.00 0.00 176.35 175.11 1zit s VAL 6 N 0.50 4.31 -0.26 1.68 1.01 -1.26 0.12 120.40 126.50 1zit s VAL 6 Ca -0.07 -2.76 -0.23 0.00 0.00 0.00 0.00 61.98 58.92 1zit s VAL 6 Cb -0.15 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 1zit s VAL 6 CO 0.04 -0.92 0.75 -0.69 0.00 0.00 0.00 175.10 174.28 1zit s VAL 7 N 0.07 4.88 -0.26 2.92 1.01 0.04 0.12 120.40 129.18 1zit s VAL 7 Ca 0.17 1.34 -0.23 0.00 0.00 0.00 0.00 61.98 63.25 1zit s VAL 7 Cb -0.17 -4.06 0.07 0.00 0.00 0.00 0.00 36.38 32.21 1zit s VAL 7 CO -0.05 -0.08 0.68 -0.62 0.00 0.00 0.00 175.10 175.03 1zit s ASP 8 N 1.44 -0.72 -0.46 3.32 -1.08 -0.86 -0.63 116.67 117.68 1zit s ASP 8 Ca 0.31 1.38 -0.04 0.00 -0.52 0.00 0.00 52.55 53.68 1zit s ASP 8 Cb -0.15 1.39 0.05 0.00 -1.46 0.00 0.00 42.92 42.75 1zit s ASP 8 CO 0.09 -0.24 2.80 -0.67 0.52 0.00 0.00 175.17 177.67 1zit n ASP 9 N 2.76 6.47 -3.31 -0.34 2.03 -0.44 -3.70 116.55 120.02 1zit n ASP 9 Ca -0.14 -3.18 -0.08 0.00 0.52 0.00 0.00 54.79 51.91 1zit n ASP 9 Cb 0.55 -1.24 -0.06 0.00 -0.72 0.00 0.00 41.12 39.64 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 -1.59 0.40 0.51 -0.67 -6.30 -1.26 -4.84 118.70 104.95 1zit s GLU 10 Ca 0.59 0.33 0.00 0.00 -2.50 0.00 0.00 54.97 53.40 1zit s GLU 10 Cb 0.37 -0.33 0.00 0.00 0.00 0.00 0.00 34.13 34.18 1zit s GLU 10 CO -0.21 -0.86 0.00 -1.91 0.02 0.00 0.00 175.26 172.30 1zit n GLU 11 N 5.36 -3.09 0.30 4.30 4.07 -1.26 -4.54 120.64 125.78 1zit n GLU 11 Ca -0.01 2.38 -0.17 0.00 -0.06 0.00 0.00 57.16 59.30 1zit n GLU 11 Cb 0.50 -3.67 -0.08 0.00 -0.06 0.00 0.00 31.44 28.13 1zit n GLU 11 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1zit h SER 12 N -1.35 -0.86 -2.11 4.31 4.64 -1.93 -3.45 113.55 112.80 1zit h SER 12 Ca -0.12 0.05 -0.55 0.00 -0.47 0.00 0.00 61.79 60.70 1zit h SER 12 Cb 1.32 0.26 -0.09 0.00 -0.31 0.00 0.00 62.40 63.58 1zit h SER 12 CO 0.06 -0.53 -0.61 -0.63 -0.87 0.00 0.00 176.83 174.25 1zit s ILE 13 N -6.03 3.37 0.03 0.95 -1.09 -1.26 -4.39 121.20 112.78 1zit s ILE 13 Ca -0.17 -1.84 -0.18 0.00 -2.23 0.00 0.00 60.65 56.23 1zit s ILE 13 Cb 0.05 -2.91 -0.06 0.00 -1.58 0.00 0.00 42.46 37.96 1zit s ILE 13 CO 0.62 -0.32 0.52 0.42 -1.23 0.00 0.00 174.94 174.96 1zit s THR 14 N -2.35 4.88 0.37 2.92 -4.23 -1.26 -4.99 115.64 110.98 1zit s THR 14 Ca 0.33 1.10 -0.28 0.00 -1.18 0.00 0.00 61.69 61.66 1zit s THR 14 Cb -0.05 -3.85 -0.10 0.00 1.34 0.00 0.00 72.50 69.84 1zit s THR 14 CO 0.21 0.52 1.40 -0.94 -0.54 0.00 0.00 174.62 175.27 1zit s SER 15 N -0.82 6.44 0.00 3.99 1.04 -1.26 -2.41 113.70 120.68 1zit s SER 15 Ca 0.28 2.87 0.00 0.00 0.48 0.00 0.00 55.95 59.57 1zit s SER 15 Cb -0.18 -2.66 0.00 0.00 0.10 0.00 0.00 66.02 63.28 1zit s SER 15 CO 0.16 -0.78 0.00 -1.20 0.98 0.00 0.00 173.24 172.40 1zit n SER 16 N 0.47 0.00 -0.10 7.02 7.64 -1.26 -4.85 113.62 122.55 1zit n SER 16 Ca 0.01 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.67 1zit n SER 16 Cb 0.41 -0.06 -0.12 0.00 -1.01 0.00 0.00 64.21 63.43 1zit n SER 16 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1zit n LEU 17 N 0.00 1.93 -0.22 -3.43 7.99 -1.01 -3.47 117.00 118.80 1zit n LEU 17 Ca 0.00 0.40 0.01 0.00 -0.01 0.00 0.00 56.01 56.41 1zit n LEU 17 Cb 0.00 -0.98 0.09 0.00 -0.11 0.00 0.00 43.42 42.42 1zit n LEU 17 CO 0.00 0.34 0.77 0.77 -1.51 0.00 0.00 177.39 177.76 1zit h SER 18 N -0.90 -0.48 0.07 -1.43 4.64 -1.89 0.80 113.55 114.36 1zit h SER 18 Ca -0.37 0.18 -0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1zit h SER 18 Cb 1.38 0.36 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 1zit h SER 18 CO -0.19 -0.18 -0.03 0.00 -0.87 0.00 0.00 176.83 175.55 1zit h ALA 19 N 1.63 -0.09 0.01 5.18 0.00 -1.93 -2.14 119.26 121.92 1zit h ALA 19 Ca 0.32 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1zit h ALA 19 Cb 0.52 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1zit h ALA 19 CO -0.62 -0.47 -0.02 0.82 0.00 0.00 0.00 179.25 178.96 1zit h ILE 20 N -0.26 0.00 -1.31 0.00 2.04 -1.32 -0.95 117.51 115.71 1zit h ILE 20 Ca -0.01 0.00 0.39 0.00 1.00 0.00 0.00 64.86 66.24 1zit h ILE 20 Cb 0.22 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.21 1zit h ILE 20 CO 0.02 0.00 0.89 -0.07 0.00 0.00 0.00 178.15 178.99 1zit h LEU 21 N -0.03 0.19 -1.04 1.44 3.38 -0.98 1.55 115.31 119.82 1zit h LEU 21 Ca -0.00 0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1zit h LEU 21 Cb 0.03 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1zit h LEU 21 CO -0.00 -0.04 -0.45 -0.33 0.09 0.00 0.00 178.44 177.71 1zit h GLU 22 N 0.13 0.00 0.12 1.13 5.08 -0.76 0.34 114.58 120.62 1zit h GLU 22 Ca 0.72 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.78 1zit h GLU 22 Cb 2.41 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.65 1zit h GLU 22 CO -0.22 0.45 -1.46 1.49 -1.00 0.00 0.00 179.01 178.27 1zit h GLU 23 N 0.00 0.26 0.13 2.33 4.81 0.35 -3.34 114.58 119.12 1zit h GLU 23 Ca -0.00 -0.45 -0.29 0.00 -0.13 0.00 0.00 59.36 58.48 1zit h GLU 23 Cb 0.85 0.17 0.02 0.00 0.63 0.00 0.00 28.75 30.43 1zit h GLU 23 CO 0.06 1.15 -1.25 0.93 -0.73 0.00 0.00 179.01 179.17 1zit h GLU 24 N 0.07 0.54 0.00 1.92 4.39 -0.97 -3.48 114.58 117.05 1zit h GLU 24 Ca -0.22 -0.75 0.00 0.00 0.34 0.00 0.00 59.36 58.73 1zit h GLU 24 Cb 2.01 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 30.91 1zit h GLU 24 CO 0.18 1.34 0.00 0.41 -1.16 0.00 0.00 179.01 179.77 1zit n GLY 25 N 1.40 1.68 1.96 -3.84 0.00 0.11 -5.08 105.19 101.42 1zit n GLY 25 Ca -0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.24 -3.71 -3.61 1.61 4.01 -0.65 -4.93 117.16 108.65 1zit n TYR 26 Ca 0.00 -0.70 -0.29 0.00 -0.16 0.00 0.00 57.90 56.76 1zit n TYR 26 Cb 0.00 -0.47 -0.12 0.00 -0.31 0.00 0.00 39.34 38.44 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 -2.12 1.69 -0.02 -0.72 2.46 -0.86 -4.83 115.29 110.88 1zit s HIS 27 Ca 0.37 -2.33 -0.29 0.00 0.47 0.00 0.00 55.06 53.28 1zit s HIS 27 Cb -0.01 -1.55 -0.03 0.00 -0.13 0.00 0.00 32.58 30.86 1zit s HIS 27 CO 0.25 -0.78 0.92 -1.25 -2.47 0.00 0.00 174.74 171.42 1zit s PRO 28 N 0.24 4.52 0.00 2.88 0.04 -1.25 -2.14 135.00 139.28 1zit s PRO 28 Ca 0.22 1.30 0.15 0.00 0.04 0.00 0.00 61.00 62.71 1zit s PRO 28 Cb -0.15 -3.47 -0.00 0.00 0.04 0.00 0.00 34.50 30.92 1zit s PRO 28 CO -0.06 -0.05 0.81 -3.47 0.04 0.00 0.00 177.00 174.26 1zit n ASP 29 N 3.98 1.54 -0.50 6.66 2.03 -0.94 -4.99 116.55 124.34 1zit n ASP 29 Ca 0.05 -1.27 0.04 0.00 0.52 0.00 0.00 54.79 54.12 1zit n ASP 29 Cb 0.51 0.47 -0.01 0.00 -0.72 0.00 0.00 41.12 41.36 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 -0.15 0.00 -3.80 5.18 -2.24 -1.26 -4.81 114.28 107.21 1zit n THR 30 Ca 0.06 0.05 -0.05 0.00 -2.27 0.00 0.00 64.05 61.84 1zit n THR 30 Cb 0.31 -0.14 -0.01 0.00 -2.10 0.00 0.00 70.33 68.38 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 -2.23 -1.47 -0.20 6.98 0.00 0.33 -4.46 121.76 120.72 1zit s ALA 31 Ca 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 51.89 1zit s ALA 31 Cb 0.00 0.72 -0.13 0.00 0.00 0.00 0.00 23.12 23.72 1zit s ALA 31 CO 0.00 -1.04 -0.18 1.63 0.00 0.00 0.00 175.76 176.16 1zit n LYS 32 N -0.48 0.49 -2.32 0.00 5.02 -1.24 -2.02 118.16 117.61 1zit n LYS 32 Ca -0.05 0.12 -0.03 0.00 -2.02 0.00 0.00 58.31 56.32 1zit n LYS 32 Cb 0.60 -1.39 0.01 0.00 -0.02 0.00 0.00 35.03 34.24 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 -3.15 0.00 -0.21 -0.18 -1.04 -1.26 -1.33 114.28 107.12 1zit n THR 33 Ca -0.36 -0.41 -0.09 0.00 -2.04 0.00 0.00 64.05 61.16 1zit n THR 33 Cb 0.87 0.43 0.02 0.00 -1.82 0.00 0.00 70.33 69.83 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 0.94 -0.07 -4.42 3.38 -1.97 0.61 115.31 113.78 1zit h LEU 34 Ca -0.15 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 1zit h LEU 34 Cb 0.56 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1zit h LEU 34 CO 0.19 0.96 0.04 -0.09 0.09 0.00 0.00 178.44 179.63 1zit h ARG 35 N 0.87 0.09 -0.25 1.13 2.43 -1.99 0.34 114.38 117.01 1zit h ARG 35 Ca 0.18 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.23 1zit h ARG 35 Cb 0.43 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1zit h ARG 35 CO 0.01 0.14 -0.29 1.49 -1.51 0.00 0.00 179.97 179.81 1zit h GLU 36 N 0.02 0.50 0.00 0.20 4.57 -1.92 -2.47 114.58 115.47 1zit h GLU 36 Ca 0.02 -0.20 -0.08 0.00 -1.18 0.00 0.00 59.36 57.92 1zit h GLU 36 Cb 0.07 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1zit h GLU 36 CO -0.00 0.74 -0.36 0.00 -1.18 0.00 0.00 179.01 178.20 1zit h ALA 37 N 1.26 1.09 -0.13 2.92 0.00 0.62 -2.38 119.26 122.64 1zit h ALA 37 Ca 0.06 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1zit h ALA 37 Cb 0.73 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1zit h ALA 37 CO 0.06 0.45 -0.14 0.93 0.00 0.00 0.00 179.25 180.55 1zit h GLU 38 N 0.00 0.32 -0.26 0.00 5.08 0.12 0.19 114.58 120.02 1zit h GLU 38 Ca -0.00 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 1zit h GLU 38 Cb 0.81 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1zit h GLU 38 CO 0.05 0.72 0.05 -0.22 -1.00 0.00 0.00 179.01 178.61 1zit h LYS 39 N -0.07 0.37 0.13 2.33 3.11 -1.37 0.53 116.57 121.59 1zit h LYS 39 Ca 0.02 -0.05 -0.29 0.00 -2.81 0.00 0.00 60.65 57.51 1zit h LYS 39 Cb 0.67 -0.07 0.03 0.00 -1.00 0.00 0.00 32.23 31.86 1zit h LYS 39 CO 0.03 0.36 -1.22 0.87 -2.81 0.00 0.00 179.45 176.68 1zit h LYS 40 N 0.36 0.61 0.00 1.90 1.57 -1.29 -3.31 116.57 116.42 1zit h LYS 40 Ca 0.09 -0.82 -0.17 0.00 -1.87 0.00 0.00 60.65 57.88 1zit h LYS 40 Cb 0.17 0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1zit h LYS 40 CO -0.00 1.37 -0.79 0.82 -0.57 0.00 0.00 179.45 180.28 1zit h ILE 41 N 0.23 1.51 -0.57 1.86 2.04 -0.28 -1.51 117.51 120.79 1zit h ILE 41 Ca -0.19 -2.76 0.16 0.00 1.00 0.00 0.00 64.86 63.07 1zit h ILE 41 Cb 1.90 2.51 -0.02 0.00 -0.74 0.00 0.00 36.82 40.47 1zit h ILE 41 CO 0.23 0.77 0.61 0.50 0.00 0.00 0.00 178.15 180.27 1zit h LYS 42 N 0.00 0.00 0.00 2.37 3.64 -0.02 -3.28 116.57 119.28 1zit h LYS 42 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1zit h LYS 42 Cb 1.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.27 1zit h LYS 42 CO 0.10 0.00 -0.06 0.39 -2.27 0.00 0.00 179.45 177.62 1zit n GLU 43 N -3.64 0.03 -1.71 1.90 1.02 -1.21 -5.03 120.64 112.00 1zit n GLU 43 Ca 0.11 0.01 -0.43 0.00 -0.02 0.00 0.00 57.16 56.84 1zit n GLU 43 Cb 0.82 -0.53 -0.03 0.00 -0.02 0.00 0.00 31.44 31.68 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 -3.51 3.92 -4.50 -4.62 7.99 -0.57 -4.90 117.00 110.81 1zit n LEU 44 Ca -0.01 1.05 -0.44 0.00 -0.01 0.00 0.00 56.01 56.61 1zit n LEU 44 Cb 0.03 -1.56 -0.00 0.00 -0.11 0.00 0.00 43.42 41.78 1zit n LEU 44 CO 0.01 0.14 1.57 0.12 -1.51 0.00 0.00 177.39 177.73 1zit s PHE 45 N 1.36 3.21 -0.23 -1.77 2.19 -1.26 -4.47 117.98 117.01 1zit s PHE 45 Ca 0.76 -1.89 -0.29 0.00 0.33 0.00 0.00 56.93 55.84 1zit s PHE 45 Cb -0.52 -4.47 0.01 0.00 -1.31 0.00 0.00 43.02 36.72 1zit s PHE 45 CO 0.33 -1.56 1.11 -0.06 1.83 0.00 0.00 175.22 176.88 1zit s PHE 46 N 2.62 3.17 -0.27 10.12 0.08 -1.26 -4.91 117.98 127.52 1zit s PHE 46 Ca 0.46 1.30 0.21 0.00 0.12 0.00 0.00 56.93 59.01 1zit s PHE 46 Cb -0.01 -3.42 0.33 0.00 -0.57 0.00 0.00 43.02 39.35 1zit s PHE 46 CO 0.02 -0.85 1.58 -1.00 -0.10 0.00 0.00 175.22 174.87 1zit h PRO 47 N 7.80 0.00 -3.07 0.24 0.13 -1.84 -3.41 132.00 131.85 1zit h PRO 47 Ca -0.21 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.70 1zit h PRO 47 Cb 1.07 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.89 1zit h PRO 47 CO 0.99 0.20 -0.54 0.08 -0.23 0.00 0.00 178.00 178.50 1zit s VAL 48 N -3.17 -0.12 0.14 1.56 1.01 -1.25 0.15 120.40 118.72 1zit s VAL 48 Ca 0.05 0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.31 1zit s VAL 48 Cb 0.06 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 1zit s VAL 48 CO 0.69 0.08 -0.11 -0.63 0.00 0.00 0.00 175.10 175.13 1zit s ILE 49 N 1.50 3.23 -0.32 2.22 -1.09 0.15 0.56 121.20 127.44 1zit s ILE 49 Ca -0.07 -1.48 -0.02 0.00 -2.23 0.00 0.00 60.65 56.86 1zit s ILE 49 Cb -0.11 -2.55 0.12 0.00 -1.58 0.00 0.00 42.46 38.34 1zit s ILE 49 CO -0.08 0.00 0.17 -0.69 -1.23 0.00 0.00 174.94 173.12 1zit s VAL 50 N -1.44 0.09 0.67 2.92 1.01 0.32 -2.51 120.40 121.47 1zit s VAL 50 Ca 0.23 -1.30 -0.11 0.00 0.00 0.00 0.00 61.98 60.80 1zit s VAL 50 Cb -0.10 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 1zit s VAL 50 CO 0.14 -0.87 1.05 -0.22 0.00 0.00 0.00 175.10 175.21 1zit s LEU 51 N 1.53 3.14 -0.48 3.92 2.96 -1.26 -0.78 118.68 127.70 1zit s LEU 51 Ca 0.14 1.53 0.06 0.00 -0.22 0.00 0.00 54.13 55.64 1zit s LEU 51 Cb -0.20 -4.45 0.19 0.00 0.50 0.00 0.00 46.19 42.23 1zit s LEU 51 CO -0.16 -1.27 0.62 -0.67 -1.32 0.00 0.00 176.35 173.54 1zit n ASP 52 N -3.01 -2.47 -4.56 3.68 2.03 0.20 -1.99 116.55 110.42 1zit n ASP 52 Ca 0.07 -2.77 -0.13 0.00 0.52 0.00 0.00 54.79 52.48 1zit n ASP 52 Cb 0.54 1.02 -0.10 0.00 -0.72 0.00 0.00 41.12 41.85 1zit n ASP 52 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1zit n VAL 53 N 2.81 0.00 0.00 5.18 0.24 -1.26 -4.15 118.33 121.15 1zit n VAL 53 Ca 0.21 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 1zit n VAL 53 Cb 0.54 -1.92 0.00 0.00 -1.47 0.00 0.00 33.84 30.98 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 19.16 0.00 -2.73 6.34 -0.00 -1.26 -4.84 117.44 134.12 1zit n TRP 54 Ca 0.42 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.83 1zit n TRP 54 Cb 0.45 0.00 0.06 0.00 -0.00 0.00 0.00 31.31 31.83 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 0.00 1.14 0.00 5.87 0.00 -1.26 -5.03 117.12 117.83 1zit n MET 55 Ca 0.00 -2.66 0.00 0.00 0.00 0.00 0.00 57.70 55.04 1zit n MET 55 Cb 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 33.22 32.37 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 -0.19 0.00 0.02 2.12 -0.04 -1.26 -5.11 135.00 130.54 1zit n PRO 56 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1zit n PRO 56 Cb 0.81 -0.11 0.00 0.00 -0.04 0.00 0.00 33.50 34.15 1zit n PRO 56 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1zit n ASP 57 N -0.68 -0.33 -4.46 3.54 -0.08 -1.26 -5.15 116.55 108.13 1zit n ASP 57 Ca 0.00 0.11 -0.33 0.00 -1.51 0.00 0.00 54.79 53.06 1zit n ASP 57 Cb 0.00 0.55 0.12 0.00 2.34 0.00 0.00 41.12 44.13 1zit n ASP 57 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1zit n GLY 58 N -1.46 -1.73 1.24 0.27 0.00 -1.26 -4.92 105.19 97.32 1zit n GLY 58 Ca 0.00 -0.71 0.01 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.61 3.72 -0.04 1.61 9.92 -1.26 -4.93 116.55 123.96 1zit n ASP 59 Ca 0.08 -3.28 -0.00 0.00 -0.53 0.00 0.00 54.79 51.05 1zit n ASP 59 Cb 0.53 -0.62 -0.00 0.00 -0.64 0.00 0.00 41.12 40.39 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 -0.61 0.05 0.12 0.44 0.00 -1.26 -4.80 105.19 99.13 1zit n GLY 60 Ca 0.30 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 1.18 0.00 1.61 2.07 -1.91 -3.23 116.25 115.97 1zit h VAL 61 Ca -0.01 -2.43 0.00 0.00 0.82 0.00 0.00 66.70 65.08 1zit h VAL 61 Cb 0.96 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.58 1zit h VAL 61 CO 0.01 0.69 0.00 -0.46 0.02 0.00 0.00 177.57 177.83 1zit n ASN 62 N -4.02 0.49 0.04 0.57 0.23 -1.26 -2.13 115.26 109.18 1zit n ASN 62 Ca -0.22 0.64 -0.03 0.00 -0.53 0.00 0.00 54.58 54.44 1zit n ASN 62 Cb 0.86 -0.73 -0.09 0.00 -2.08 0.00 0.00 39.78 37.74 1zit n ASN 62 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1zit h PHE 63 N 0.00 0.00 -0.77 -2.53 3.57 -1.95 -3.37 116.94 111.89 1zit h PHE 63 Ca 0.00 0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.68 1zit h PHE 63 Cb 0.28 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 38.90 1zit h PHE 63 CO 0.00 0.74 0.14 0.82 -2.23 0.00 0.00 178.31 177.78 1zit h ILE 64 N 0.00 0.42 -0.51 1.41 1.08 -1.44 0.15 117.51 118.62 1zit h ILE 64 Ca -0.15 -0.07 -0.06 0.00 -0.39 0.00 0.00 64.86 64.19 1zit h ILE 64 Cb 1.70 0.20 -0.02 0.00 -3.07 0.00 0.00 36.82 35.62 1zit h ILE 64 CO 0.07 0.04 0.07 -0.78 -0.69 0.00 0.00 178.15 176.86 1zit h ASP 65 N 0.21 0.82 -0.13 1.72 3.58 -1.74 -2.26 116.42 118.62 1zit h ASP 65 Ca 0.44 -0.27 0.04 0.00 0.42 0.00 0.00 57.03 57.67 1zit h ASP 65 Cb 0.80 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 1zit h ASP 65 CO -0.59 0.88 0.09 0.15 -2.88 0.00 0.00 179.24 176.89 1zit h PHE 66 N 0.73 0.00 -0.11 0.28 3.04 -0.95 0.57 116.94 120.50 1zit h PHE 66 Ca 0.15 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.09 1zit h PHE 66 Cb 0.41 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.92 1zit h PHE 66 CO 0.03 0.00 0.03 0.82 -2.02 0.00 0.00 178.31 177.17 1zit h ILE 67 N 0.00 1.20 0.00 1.41 1.08 -0.44 -2.48 117.51 118.27 1zit h ILE 67 Ca 0.06 -0.62 0.00 0.00 -0.39 0.00 0.00 64.86 63.91 1zit h ILE 67 Cb 0.25 1.41 0.00 0.00 -3.07 0.00 0.00 36.82 35.40 1zit h ILE 67 CO -0.00 0.18 -0.15 0.29 -0.69 0.00 0.00 178.15 177.78 1zit n LYS 68 N -4.86 0.24 -0.04 2.37 5.02 -0.68 0.12 118.16 120.33 1zit n LYS 68 Ca -0.06 0.16 -0.15 0.00 -2.02 0.00 0.00 58.31 56.25 1zit n LYS 68 Cb 0.16 -1.75 -0.04 0.00 -0.02 0.00 0.00 35.03 33.38 1zit n LYS 68 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1zit h GLU 69 N 0.00 0.80 0.00 1.97 4.81 0.36 -3.27 114.58 119.25 1zit h GLU 69 Ca 0.00 -0.57 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 1zit h GLU 69 Cb 0.71 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1zit h GLU 69 CO 0.00 1.19 -0.01 0.09 -0.73 0.00 0.00 179.01 179.55 1zit n ASN 70 N -3.97 1.70 -2.80 1.04 3.02 -0.96 -4.83 115.26 108.46 1zit n ASN 70 Ca -0.05 -1.99 -0.10 0.00 -0.03 0.00 0.00 54.58 52.41 1zit n ASN 70 Cb 0.68 -0.06 0.05 0.00 -0.61 0.00 0.00 39.78 39.84 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 -0.53 -2.32 0.26 6.41 7.64 0.12 -4.88 113.62 120.32 1zit n SER 71 Ca 0.02 -3.36 0.17 0.00 1.01 0.00 0.00 58.87 56.71 1zit n SER 71 Cb 0.35 1.55 0.67 0.00 -1.01 0.00 0.00 64.21 65.77 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 3.66 0.00 -0.62 1.43 0.11 -1.67 -2.72 132.00 132.19 1zit h PRO 72 Ca -0.11 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.68 1zit h PRO 72 Cb 1.04 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 31.95 1zit h PRO 72 CO 0.29 0.00 0.23 -3.47 -0.21 0.00 0.00 178.00 174.84 1zit n ASP 73 N -3.01 3.04 -0.50 -2.05 2.03 -1.26 -4.97 116.55 109.83 1zit n ASP 73 Ca 0.01 -3.70 0.00 0.00 0.52 0.00 0.00 54.79 51.61 1zit n ASP 73 Cb 0.30 -0.72 0.00 0.00 -0.72 0.00 0.00 41.12 39.98 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 -1.11 1.18 -3.71 1.67 2.88 -1.02 -4.71 113.62 108.79 1zit n SER 74 Ca 0.44 -0.25 -0.12 0.00 -1.33 0.00 0.00 58.87 57.62 1zit n SER 74 Cb 1.31 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.66 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 1.01 -0.01 -0.31 2.46 1.01 0.39 -4.87 120.40 120.08 1zit s VAL 75 Ca 0.00 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.99 1zit s VAL 75 Cb 0.00 -0.60 0.03 0.00 0.00 0.00 0.00 36.38 35.82 1zit s VAL 75 CO 0.00 0.02 0.05 -0.69 0.00 0.00 0.00 175.10 174.48 1zit s VAL 76 N 0.88 3.48 -0.17 2.92 1.01 -1.26 0.30 120.40 127.56 1zit s VAL 76 Ca -0.05 -1.09 -0.08 0.00 0.00 0.00 0.00 61.98 60.76 1zit s VAL 76 Cb -0.06 -2.91 -0.22 0.00 0.00 0.00 0.00 36.38 33.18 1zit s VAL 76 CO -0.07 -0.05 0.17 -0.38 0.00 0.00 0.00 175.10 174.78 1zit n ILE 77 N 4.75 1.67 -3.52 2.22 2.08 -1.05 0.11 119.36 125.63 1zit n ILE 77 Ca -0.14 -0.53 -0.21 0.00 0.56 0.00 0.00 62.75 62.44 1zit n ILE 77 Cb 0.45 -1.73 0.01 0.00 -0.75 0.00 0.00 39.64 37.62 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 -3.63 -5.49 0.00 1.39 0.31 -1.26 -3.93 118.33 105.72 1zit n VAL 78 Ca -0.36 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 1zit n VAL 78 Cb 0.97 -4.23 0.00 0.00 -0.91 0.00 0.00 33.84 29.67 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 -1.82 0.00 -4.56 2.52 5.41 -0.84 -4.07 119.36 116.00 1zit n ILE 79 Ca -0.18 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.57 1zit n ILE 79 Cb 0.64 -0.85 0.00 0.00 -0.71 0.00 0.00 39.64 38.71 1zit n ILE 79 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1zit n THR 80 N 0.00 0.00 0.00 1.39 -2.24 -1.24 -4.18 114.28 108.01 1zit n THR 80 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1zit n THR 80 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 0.00 0.21 3.33 3.38 0.00 -1.26 -4.63 105.19 106.21 1zit n GLY 81 Ca 0.00 -2.05 -0.20 0.00 0.00 0.00 0.00 46.02 43.78 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 0.00 -2.41 0.00 1.61 -0.00 -1.26 -4.60 115.22 108.56 1zit n HIS 82 Ca 0.00 0.90 0.00 0.00 0.46 0.00 0.00 57.72 59.08 1zit n HIS 82 Cb 0.00 -4.69 0.00 0.00 -0.12 0.00 0.00 29.99 25.18 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 -1.63 -1.49 1.26 1.57 0.00 -1.26 -5.16 105.19 98.48 1zit n GLY 83 Ca -0.08 0.55 -0.09 0.00 0.00 0.00 0.00 46.02 46.39 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 1.01 -1.13 1.61 7.64 -1.26 -5.08 113.62 116.41 1zit n SER 84 Ca 0.00 -1.82 -0.02 0.00 1.01 0.00 0.00 58.87 58.04 1zit n SER 84 Cb 0.00 0.40 -0.03 0.00 -1.01 0.00 0.00 64.21 63.56 1zit n SER 84 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1zit n VAL 85 N -0.34 0.00 -0.06 0.44 0.24 -1.26 -4.71 118.33 112.63 1zit n VAL 85 Ca -0.02 -0.36 -0.04 0.00 -2.04 0.00 0.00 64.34 61.88 1zit n VAL 85 Cb 0.23 0.65 -0.01 0.00 -1.47 0.00 0.00 33.84 33.23 1zit n VAL 85 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1zit h ASP 86 N 0.36 0.00 -1.28 -1.34 5.19 -2.00 -3.33 116.42 114.02 1zit h ASP 86 Ca -0.39 0.00 0.37 0.00 -0.62 0.00 0.00 57.03 56.40 1zit h ASP 86 Cb 1.56 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.99 1zit h ASP 86 CO -0.12 0.68 0.88 0.00 -3.12 0.00 0.00 179.24 177.57 1zit h THR 87 N -0.92 0.33 0.72 0.35 1.03 -1.93 0.16 112.91 112.64 1zit h THR 87 Ca 0.00 -0.04 -0.03 0.00 -0.01 0.00 0.00 66.41 66.33 1zit h THR 87 Cb 0.45 0.20 -0.01 0.00 -1.07 0.00 0.00 68.15 67.72 1zit h THR 87 CO 0.00 0.02 -0.49 0.00 -0.01 0.00 0.00 175.52 175.04 1zit h ALA 88 N 1.44 -1.25 0.00 0.00 0.00 -1.91 0.83 119.26 118.37 1zit h ALA 88 Ca 0.67 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 1zit h ALA 88 Cb 2.34 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 20.76 1zit h ALA 88 CO -0.16 -1.22 -0.04 -0.39 0.00 0.00 0.00 179.25 177.44 1zit h VAL 89 N -1.15 0.47 0.06 0.00 -1.51 -0.88 0.87 116.25 114.11 1zit h VAL 89 Ca -0.10 -0.20 -0.25 0.00 -1.23 0.00 0.00 66.70 64.93 1zit h VAL 89 Cb 0.94 1.13 -0.02 0.00 -2.13 0.00 0.00 31.29 31.21 1zit h VAL 89 CO 0.07 0.04 -1.20 0.50 -1.23 0.00 0.00 177.57 175.75 1zit h LYS 90 N 0.00 0.13 0.05 5.19 3.64 -0.31 -3.36 116.57 121.92 1zit h LYS 90 Ca -0.00 -0.22 -0.34 0.00 -1.27 0.00 0.00 60.65 58.82 1zit h LYS 90 Cb 0.13 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 1zit h LYS 90 CO 0.01 1.06 -1.97 0.00 -2.27 0.00 0.00 179.45 176.28 1zit n ALA 91 N -2.47 1.25 -1.87 5.00 0.00 0.28 -4.81 120.51 117.88 1zit n ALA 91 Ca -0.06 -0.79 -0.31 0.00 0.00 0.00 0.00 53.44 52.28 1zit n ALA 91 Cb 0.99 -0.64 -0.01 0.00 0.00 0.00 0.00 19.45 19.78 1zit n ALA 91 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1zit s ILE 92 N -2.56 4.63 0.00 0.00 -4.36 0.29 -3.61 121.20 115.59 1zit s ILE 92 Ca -0.15 1.02 0.00 0.00 -0.26 0.00 0.00 60.65 61.26 1zit s ILE 92 Cb 0.07 -3.79 0.00 0.00 1.25 0.00 0.00 42.46 39.99 1zit s ILE 92 CO 0.78 -0.91 0.00 0.29 0.24 0.00 0.00 174.94 175.35 1zit n LYS 93 N -2.14 -0.46 -0.78 0.37 5.02 -1.26 -4.79 118.16 114.12 1zit n LYS 93 Ca 0.06 0.12 0.05 0.00 -2.02 0.00 0.00 58.31 56.52 1zit n LYS 93 Cb 0.54 -3.56 0.10 0.00 -0.02 0.00 0.00 35.03 32.09 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 -1.69 0.78 0.00 1.97 4.76 -1.24 -4.91 118.16 117.84 1zit n LYS 94 Ca 0.00 -2.40 0.00 0.00 -2.87 0.00 0.00 58.31 53.04 1zit n LYS 94 Cb 0.12 -0.91 0.00 0.00 -1.84 0.00 0.00 35.03 32.40 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 -0.49 1.68 0.00 0.72 0.00 -1.26 -4.88 105.19 100.96 1zit n GLY 95 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.85 4.61 0.00 -1.25 -4.42 120.51 117.61 1zit n ALA 96 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1zit n ALA 96 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.60 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 -1.72 0.00 0.00 0.00 9.36 0.29 -4.50 117.16 120.59 1zit n TYR 97 Ca 0.00 -1.20 0.00 0.00 3.32 0.00 0.00 57.90 60.02 1zit n TYR 97 Cb 0.00 -0.22 0.00 0.00 -0.63 0.00 0.00 39.34 38.49 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 -0.66 0.00 -2.02 2.98 0.28 -1.26 -4.91 120.64 115.04 1zit n GLU 98 Ca 0.15 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.73 1zit n GLU 98 Cb 0.82 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.66 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 -1.83 3.00 -0.17 -1.84 0.40 -1.25 -4.72 117.98 111.57 1zit s PHE 99 Ca 0.00 0.68 -0.29 0.00 -0.60 0.00 0.00 56.93 56.72 1zit s PHE 99 Cb 0.00 -3.85 -0.03 0.00 0.51 0.00 0.00 43.02 39.66 1zit s PHE 99 CO 0.00 -3.15 1.45 -1.17 0.70 0.00 0.00 175.22 173.05 1zit s LEU 100 N 1.43 4.11 0.85 -0.37 1.98 -1.26 -4.98 118.68 120.44 1zit s LEU 100 Ca 0.69 1.74 -0.13 0.00 -2.89 0.00 0.00 54.13 53.54 1zit s LEU 100 Cb -0.40 -3.54 0.11 0.00 0.66 0.00 0.00 46.19 43.02 1zit s LEU 100 CO 0.31 -0.96 1.21 -1.61 -1.89 0.00 0.00 176.35 173.41 1zit s GLU 101 N 4.01 1.64 -0.86 1.98 2.02 -1.26 -4.52 118.70 121.70 1zit s GLU 101 Ca 0.64 -0.01 -0.05 0.00 0.02 0.00 0.00 54.97 55.57 1zit s GLU 101 Cb -0.25 -1.92 -0.06 0.00 0.10 0.00 0.00 34.13 32.00 1zit s GLU 101 CO 0.23 -1.80 0.76 1.63 0.02 0.00 0.00 175.26 176.10 1zit n LYS 102 N -3.43 -1.84 0.02 1.61 4.76 -1.26 -4.86 118.16 113.15 1zit n LYS 102 Ca 0.10 0.74 0.05 0.00 -2.87 0.00 0.00 58.31 56.32 1zit n LYS 102 Cb 0.61 -5.09 0.22 0.00 -1.84 0.00 0.00 35.03 28.92 1zit n LYS 102 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1zit n PRO 103 N -2.90 0.02 0.08 1.97 -0.02 -1.26 -3.03 135.00 129.86 1zit n PRO 103 Ca -0.06 0.39 -0.09 0.00 -2.02 0.00 0.00 63.50 61.73 1zit n PRO 103 Cb 0.60 -1.56 -0.06 0.00 -0.02 0.00 0.00 33.50 32.46 1zit n PRO 103 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1zit h PHE 104 N 0.00 -0.27 -3.71 6.00 3.04 -1.96 -3.43 116.94 116.61 1zit h PHE 104 Ca 0.00 -0.01 -0.63 0.00 3.98 0.00 0.00 57.97 61.31 1zit h PHE 104 Cb 0.14 0.09 -0.15 0.00 2.56 0.00 0.00 35.95 38.59 1zit h PHE 104 CO 0.00 0.06 -0.22 -1.12 -2.02 0.00 0.00 178.31 175.01 1zit s SER 105 N -5.34 6.25 0.15 0.41 0.01 -1.17 -4.95 113.70 109.07 1zit s SER 105 Ca -0.10 0.22 0.07 0.00 1.31 0.00 0.00 55.95 57.45 1zit s SER 105 Cb 0.00 -2.21 -0.09 0.00 0.21 0.00 0.00 66.02 63.93 1zit s SER 105 CO 0.35 -0.22 1.35 1.62 0.41 0.00 0.00 173.24 176.75 1zit h VAL 106 N 5.42 1.65 -1.28 3.43 3.04 -1.84 -3.26 116.25 123.41 1zit h VAL 106 Ca -0.31 -3.12 0.38 0.00 -1.01 0.00 0.00 66.70 62.64 1zit h VAL 106 Cb 1.16 2.70 -0.09 0.00 -2.01 0.00 0.00 31.29 33.04 1zit h VAL 106 CO 0.66 0.89 0.86 -0.08 -1.01 0.00 0.00 177.57 178.90 1zit h GLU 107 N 0.01 0.14 -0.34 4.17 4.81 -1.92 1.21 114.58 122.67 1zit h GLU 107 Ca -0.01 -0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.03 1zit h GLU 107 Cb 1.63 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.98 1zit h GLU 107 CO 0.12 0.09 -0.47 -0.09 -0.73 0.00 0.00 179.01 177.93 1zit h ARG 108 N 0.15 0.92 -0.39 1.92 2.43 -1.92 -2.81 114.38 114.67 1zit h ARG 108 Ca 0.71 -0.54 0.10 0.00 -0.81 0.00 0.00 59.98 59.45 1zit h ARG 108 Cb 2.33 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 31.91 1zit h ARG 108 CO -0.25 1.18 0.28 0.35 -1.51 0.00 0.00 179.97 180.02 1zit h PHE 109 N 0.72 0.05 -0.84 2.20 3.57 0.13 -1.36 116.94 121.43 1zit h PHE 109 Ca 0.04 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.69 1zit h PHE 109 Cb 1.08 -0.02 -0.10 0.00 2.79 0.00 0.00 35.95 39.71 1zit h PHE 109 CO 0.07 0.03 0.41 1.25 -2.23 0.00 0.00 178.31 177.84 1zit h LEU 110 N 0.05 0.48 0.67 0.59 6.46 -1.13 -2.40 115.31 120.02 1zit h LEU 110 Ca 0.18 0.10 -0.03 0.00 -0.12 0.00 0.00 57.88 58.02 1zit h LEU 110 Cb 0.67 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.62 1zit h LEU 110 CO -0.01 0.19 -0.44 -0.07 -0.62 0.00 0.00 178.44 177.48 1zit h LEU 111 N 0.58 -1.14 -0.96 2.25 4.07 -1.38 -2.65 115.31 116.09 1zit h LEU 111 Ca 0.46 0.07 0.26 0.00 0.08 0.00 0.00 57.88 58.75 1zit h LEU 111 Cb 0.68 0.34 -0.13 0.00 1.08 0.00 0.00 40.66 42.62 1zit h LEU 111 CO -0.38 -0.67 0.49 0.74 -1.08 0.00 0.00 178.44 177.54 1zit h THR 112 N -1.06 0.43 0.06 0.22 2.02 -1.54 0.91 112.91 113.95 1zit h THR 112 Ca -0.08 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.95 1zit h THR 112 Cb 0.86 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1zit h THR 112 CO 0.06 0.08 -0.07 0.40 0.37 0.00 0.00 175.52 176.36 1zit h ILE 113 N 0.41 0.00 0.00 3.11 1.08 -1.11 1.22 117.51 122.22 1zit h ILE 113 Ca 0.64 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 65.11 1zit h ILE 113 Cb 1.29 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.04 1zit h ILE 113 CO -0.55 0.00 0.10 0.50 -0.69 0.00 0.00 178.15 177.51 1zit h LYS 114 N -0.13 0.00 0.00 2.37 3.11 -1.21 0.53 116.57 121.23 1zit h LYS 114 Ca -0.01 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.77 1zit h LYS 114 Cb 0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.34 1zit h LYS 114 CO -0.02 0.00 -1.18 1.58 -2.81 0.00 0.00 179.45 177.02 1zit n HIS 115 N -2.30 0.96 0.08 1.91 -0.00 0.26 -3.60 115.22 112.53 1zit n HIS 115 Ca -0.01 0.30 -0.20 0.00 0.46 0.00 0.00 57.72 58.26 1zit n HIS 115 Cb 0.13 -1.01 -0.15 0.00 -0.12 0.00 0.00 29.99 28.85 1zit n HIS 115 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1zit h ALA 116 N 1.77 0.18 -0.25 1.57 0.00 0.66 -2.96 119.26 120.23 1zit h ALA 116 Ca -0.07 -1.10 -0.09 0.00 0.00 0.00 0.00 54.91 53.66 1zit h ALA 116 Cb 1.23 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1zit h ALA 116 CO 0.02 1.05 -0.22 0.74 0.00 0.00 0.00 179.25 180.84 1zit h PHE 117 N 0.09 0.52 0.00 0.00 0.04 -1.43 -2.71 116.94 113.46 1zit h PHE 117 Ca -0.28 -0.10 -0.06 0.00 2.80 0.00 0.00 57.97 60.33 1zit h PHE 117 Cb 2.06 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 40.08 1zit h PHE 117 CO 0.08 0.66 -0.38 0.93 -0.60 0.00 0.00 178.31 179.00 1zit h GLU 118 N 0.42 0.00 -0.40 1.51 4.39 -1.68 -3.19 114.58 115.63 1zit h GLU 118 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1zit h GLU 118 Cb 0.62 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1zit h GLU 118 CO 0.04 0.23 0.00 0.39 -1.16 0.00 0.00 179.01 178.51 1zit n GLU 119 N -3.11 1.92 -2.56 2.33 -0.58 -1.03 -3.99 120.64 113.62 1zit n GLU 119 Ca 0.02 -1.24 -0.02 0.00 -0.42 0.00 0.00 57.16 55.50 1zit n GLU 119 Cb 0.64 -1.34 0.09 0.00 -0.57 0.00 0.00 31.44 30.26 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 0.46 -1.01 -1.14 -0.32 4.19 -1.15 -5.04 117.16 113.14 1zit n TYR 120 Ca 0.11 -1.70 0.00 0.00 3.31 0.00 0.00 57.90 59.62 1zit n TYR 120 Cb 0.34 0.98 0.00 0.00 0.49 0.00 0.00 39.34 41.15 1zit n TYR 120 CO 0.00 0.00 0.00 -1.13 0.91 0.00 0.00 176.86 176.64