#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 3.29 -0.07 2.12 -0.14 -1.26 -4.95 119.74 118.73 1zit s LYS 2 Ca 0.00 -2.00 -0.03 0.00 -1.36 0.00 0.00 55.97 52.58 1zit s LYS 2 Cb 0.00 -4.38 0.04 0.00 -1.68 0.00 0.00 37.83 31.81 1zit s LYS 2 CO 0.00 -1.35 0.15 1.03 -0.76 0.00 0.00 175.35 174.42 1zit s ARG 3 N 1.12 0.08 0.19 1.68 3.00 -1.26 0.14 118.95 123.90 1zit s ARG 3 Ca 0.12 0.43 0.09 0.00 0.00 0.00 0.00 55.73 56.37 1zit s ARG 3 Cb -0.20 -0.20 -0.04 0.00 0.00 0.00 0.00 34.95 34.51 1zit s ARG 3 CO -0.02 -0.21 -0.12 0.08 0.00 0.00 0.00 175.30 175.03 1zit s VAL 4 N 1.50 3.02 -0.10 3.52 1.01 -1.17 -3.90 120.40 124.28 1zit s VAL 4 Ca -0.06 -1.75 0.02 0.00 0.00 0.00 0.00 61.98 60.18 1zit s VAL 4 Cb -0.12 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 1zit s VAL 4 CO -0.06 -0.12 -0.15 -0.22 0.00 0.00 0.00 175.10 174.54 1zit s LEU 5 N -2.83 2.62 -0.58 3.92 2.96 0.17 -0.49 118.68 124.44 1zit s LEU 5 Ca 0.24 -0.33 0.01 0.00 -0.22 0.00 0.00 54.13 53.84 1zit s LEU 5 Cb -0.08 -1.56 0.15 0.00 0.50 0.00 0.00 46.19 45.19 1zit s LEU 5 CO 0.14 0.21 0.36 -0.69 -1.32 0.00 0.00 176.35 175.05 1zit s VAL 6 N 0.05 3.12 -0.78 1.68 1.01 -1.26 0.66 120.40 124.87 1zit s VAL 6 Ca -0.06 -3.23 -0.23 0.00 0.00 0.00 0.00 61.98 58.46 1zit s VAL 6 Cb -0.15 -3.09 0.06 0.00 0.00 0.00 0.00 36.38 33.21 1zit s VAL 6 CO 0.05 -0.85 1.16 -0.69 0.00 0.00 0.00 175.10 174.76 1zit s VAL 7 N -0.28 4.15 -0.07 2.92 1.01 0.45 0.12 120.40 128.69 1zit s VAL 7 Ca 0.18 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.81 1zit s VAL 7 Cb -0.22 -4.83 0.00 0.00 0.00 0.00 0.00 36.38 31.33 1zit s VAL 7 CO -0.02 -1.66 -0.19 -0.62 0.00 0.00 0.00 175.10 172.61 1zit s ASP 8 N 3.89 2.43 0.03 3.32 -1.08 0.57 -0.50 116.67 125.34 1zit s ASP 8 Ca 0.31 -0.42 -0.17 0.00 -0.52 0.00 0.00 52.55 51.75 1zit s ASP 8 Cb -0.10 -0.94 -0.09 0.00 -1.46 0.00 0.00 42.92 40.33 1zit s ASP 8 CO 0.05 0.13 1.26 -0.78 0.52 0.00 0.00 175.17 176.35 1zit h ASP 9 N 6.58 -0.59 -0.04 -0.34 1.82 -1.83 -3.34 116.42 118.68 1zit h ASP 9 Ca -0.28 0.03 0.28 0.00 -0.39 0.00 0.00 57.03 56.68 1zit h ASP 9 Cb 1.20 0.17 -0.24 0.00 0.68 0.00 0.00 39.33 41.14 1zit h ASP 9 CO 0.47 -0.35 0.44 -0.70 -1.61 0.00 0.00 179.24 177.50 1zit s GLU 10 N -4.34 0.02 0.00 0.28 -6.30 -1.26 -4.55 118.70 102.55 1zit s GLU 10 Ca -0.09 0.03 0.00 0.00 -2.50 0.00 0.00 54.97 52.42 1zit s GLU 10 Cb 0.01 0.02 0.00 0.00 0.00 0.00 0.00 34.13 34.16 1zit s GLU 10 CO 0.28 -0.01 0.00 -0.85 0.02 0.00 0.00 175.26 174.69 1zit n GLU 11 N 5.00 0.00 -0.19 4.30 0.28 -1.26 -4.92 120.64 123.85 1zit n GLU 11 Ca -0.08 0.00 -0.00 0.00 -0.16 0.00 0.00 57.16 56.92 1zit n GLU 11 Cb 0.55 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 33.42 1zit n GLU 11 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1zit n SER 12 N -0.01 -0.02 0.07 -1.84 2.88 -1.26 -5.01 113.62 108.43 1zit n SER 12 Ca 0.00 -0.08 -0.18 0.00 -1.33 0.00 0.00 58.87 57.28 1zit n SER 12 Cb 0.00 0.01 -0.14 0.00 -0.75 0.00 0.00 64.21 63.32 1zit n SER 12 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1zit h ILE 13 N 0.30 1.12 -0.34 2.46 5.03 -1.99 -3.32 117.51 120.77 1zit h ILE 13 Ca -0.01 -2.75 0.01 0.00 -0.12 0.00 0.00 64.86 61.99 1zit h ILE 13 Cb 0.22 2.77 -0.02 0.00 -3.03 0.00 0.00 36.82 36.76 1zit h ILE 13 CO -0.01 0.82 0.22 0.71 -0.68 0.00 0.00 178.15 179.22 1zit h THR 14 N 0.08 1.08 -0.50 -0.27 1.35 -1.94 0.69 112.91 113.39 1zit h THR 14 Ca -0.26 -0.15 -0.25 0.00 -0.55 0.00 0.00 66.41 65.20 1zit h THR 14 Cb 2.03 0.60 -0.15 0.00 -1.73 0.00 0.00 68.15 68.90 1zit h THR 14 CO 0.17 0.08 0.32 -0.24 -0.25 0.00 0.00 175.52 175.60 1zit n SER 15 N -4.49 3.39 0.21 5.36 2.88 -1.25 -3.79 113.62 115.94 1zit n SER 15 Ca 0.02 -2.81 0.00 0.00 -1.33 0.00 0.00 58.87 54.75 1zit n SER 15 Cb 0.08 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 62.87 1zit n SER 15 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1zit n SER 16 N -0.31 -3.58 -0.04 -3.46 3.41 -0.57 -4.89 113.62 104.18 1zit n SER 16 Ca 0.30 0.81 -0.09 0.00 -0.26 0.00 0.00 58.87 59.63 1zit n SER 16 Cb 1.09 3.38 -0.03 0.00 -0.26 0.00 0.00 64.21 68.38 1zit n SER 16 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1zit h LEU 17 N 0.00 -0.13 -0.55 1.04 7.12 0.13 -0.30 115.31 122.63 1zit h LEU 17 Ca 0.00 0.05 0.08 0.00 0.13 0.00 0.00 57.88 58.14 1zit h LEU 17 Cb 0.00 0.10 -0.06 0.00 -0.53 0.00 0.00 40.66 40.16 1zit h LEU 17 CO 0.00 -0.04 0.20 0.77 -0.13 0.00 0.00 178.44 179.24 1zit h SER 18 N 0.03 0.21 -0.97 1.25 4.64 -1.65 -0.68 113.55 116.37 1zit h SER 18 Ca 0.09 0.07 0.02 0.00 -0.47 0.00 0.00 61.79 61.49 1zit h SER 18 Cb 0.13 0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.21 1zit h SER 18 CO -0.18 0.14 0.64 0.00 -0.87 0.00 0.00 176.83 176.56 1zit h ALA 19 N 1.37 1.32 0.45 5.18 0.00 -1.62 -2.17 119.26 123.78 1zit h ALA 19 Ca 0.27 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1zit h ALA 19 Cb 0.30 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1zit h ALA 19 CO -0.27 0.62 -0.30 0.82 0.00 0.00 0.00 179.25 180.12 1zit h ILE 20 N 1.30 0.00 -1.06 0.00 2.04 0.43 -1.98 117.51 118.24 1zit h ILE 20 Ca 0.36 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.51 1zit h ILE 20 Cb -0.12 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 35.90 1zit h ILE 20 CO -0.09 0.00 0.73 -0.07 0.00 0.00 0.00 178.15 178.72 1zit h LEU 21 N -0.71 0.18 -1.68 1.44 3.38 -1.30 1.22 115.31 117.84 1zit h LEU 21 Ca -0.06 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1zit h LEU 21 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1zit h LEU 21 CO 0.04 0.04 -0.19 -0.08 0.09 0.00 0.00 178.44 178.34 1zit h GLU 22 N 0.16 0.00 0.15 1.13 4.81 -0.71 0.56 114.58 120.67 1zit h GLU 22 Ca 0.54 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.48 1zit h GLU 22 Cb 1.81 0.00 0.02 0.00 0.63 0.00 0.00 28.75 31.21 1zit h GLU 22 CO -0.12 0.19 -1.27 1.49 -0.73 0.00 0.00 179.01 178.57 1zit h GLU 23 N 0.00 0.44 0.05 1.92 4.81 0.22 -3.34 114.58 118.67 1zit h GLU 23 Ca -0.00 -0.66 -0.00 0.00 -0.13 0.00 0.00 59.36 58.56 1zit h GLU 23 Cb 0.40 0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1zit h GLU 23 CO 0.02 1.30 -0.03 1.49 -0.73 0.00 0.00 179.01 181.07 1zit h GLU 24 N 0.16 -0.07 0.00 1.92 4.22 -0.89 -3.48 114.58 116.44 1zit h GLU 24 Ca -0.17 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.27 1zit h GLU 24 Cb 1.96 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.23 1zit h GLU 24 CO 0.23 0.40 0.00 0.41 -2.18 0.00 0.00 179.01 177.87 1zit n GLY 25 N 0.25 -0.34 1.32 1.92 0.00 0.10 -5.12 105.19 103.33 1zit n GLY 25 Ca -0.09 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 -0.15 -3.36 1.61 4.01 -0.65 -4.83 117.16 113.78 1zit n TYR 26 Ca 0.00 -1.10 -0.26 0.00 -0.16 0.00 0.00 57.90 56.38 1zit n TYR 26 Cb 0.00 0.06 -0.09 0.00 -0.31 0.00 0.00 39.34 39.01 1zit n TYR 26 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 1zit n HIS 27 N -0.31 0.07 -1.49 -0.72 -0.00 0.12 -4.57 115.22 108.32 1zit n HIS 27 Ca 0.01 -3.57 -0.37 0.00 0.46 0.00 0.00 57.72 54.25 1zit n HIS 27 Cb 0.25 -0.14 0.07 0.00 -0.12 0.00 0.00 29.99 30.04 1zit n HIS 27 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 1zit n PRO 28 N 2.00 0.66 0.00 1.57 -0.02 -1.25 -3.06 135.00 134.90 1zit n PRO 28 Ca 0.25 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1zit n PRO 28 Cb 0.48 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 1zit n PRO 28 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1zit n ASP 29 N -0.98 0.60 0.00 2.55 -0.08 0.36 -4.85 116.55 114.14 1zit n ASP 29 Ca 0.13 -1.23 0.00 0.00 -1.51 0.00 0.00 54.79 52.18 1zit n ASP 29 Cb 0.48 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.94 1zit n ASP 29 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1zit n THR 30 N -0.11 0.00 -4.35 5.18 -2.24 -1.26 -4.69 114.28 106.81 1zit n THR 30 Ca 0.00 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 1zit n THR 30 Cb 0.31 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.44 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 0.00 1.91 1.00 6.98 0.00 0.12 -4.82 121.76 126.95 1zit s ALA 31 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.15 1zit s ALA 31 Cb 0.00 0.51 0.00 0.00 0.00 0.00 0.00 23.12 23.63 1zit s ALA 31 CO 0.00 -0.25 0.00 1.63 0.00 0.00 0.00 175.76 177.14 1zit n LYS 32 N -0.46 0.68 -0.78 0.00 5.02 -1.26 -0.31 118.16 121.04 1zit n LYS 32 Ca -0.05 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.90 1zit n LYS 32 Cb 0.64 0.00 0.12 0.00 -0.02 0.00 0.00 35.03 35.78 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 -0.64 0.00 -0.41 -0.18 -1.04 -1.25 -3.53 114.28 107.23 1zit n THR 33 Ca 0.00 -0.22 0.34 0.00 -2.04 0.00 0.00 64.05 62.13 1zit n THR 33 Cb 0.00 -0.42 0.57 0.00 -1.82 0.00 0.00 70.33 68.66 1zit n THR 33 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1zit n LEU 34 N -0.04 0.16 0.17 -4.42 4.77 -1.26 -0.30 117.00 116.08 1zit n LEU 34 Ca 0.00 1.12 -0.12 0.00 -0.03 0.00 0.00 56.01 56.99 1zit n LEU 34 Cb 0.65 -0.55 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 1zit n LEU 34 CO 0.50 -1.21 0.51 0.03 -1.33 0.00 0.00 177.39 175.89 1zit h ARG 35 N 0.00 -0.61 -0.26 3.23 3.08 -2.00 0.83 114.38 118.66 1zit h ARG 35 Ca 0.73 0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.76 1zit h ARG 35 Cb 2.42 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 32.59 1zit h ARG 35 CO -0.35 -0.40 -0.12 0.93 -1.07 0.00 0.00 179.97 178.95 1zit h GLU 36 N -0.63 0.43 0.38 0.04 3.07 -0.88 -2.77 114.58 114.23 1zit h GLU 36 Ca -0.04 -0.12 -0.02 0.00 -0.50 0.00 0.00 59.36 58.69 1zit h GLU 36 Cb 0.56 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 1zit h GLU 36 CO -0.06 0.55 -0.18 0.00 -1.40 0.00 0.00 179.01 177.91 1zit h ALA 37 N 1.48 -0.98 -0.97 3.43 0.00 -0.63 -0.66 119.26 120.93 1zit h ALA 37 Ca 0.08 -0.11 0.31 0.00 0.00 0.00 0.00 54.91 55.19 1zit h ALA 37 Cb 0.45 0.20 -0.16 0.00 0.00 0.00 0.00 17.79 18.28 1zit h ALA 37 CO 0.03 -0.94 0.39 0.93 0.00 0.00 0.00 179.25 179.65 1zit h GLU 38 N -0.59 0.16 0.10 0.00 5.08 0.65 1.17 114.58 121.15 1zit h GLU 38 Ca -0.05 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1zit h GLU 38 Cb 0.40 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1zit h GLU 38 CO 0.09 0.11 -0.05 -0.22 -1.00 0.00 0.00 179.01 177.94 1zit h LYS 39 N 0.17 -0.13 -0.34 2.33 3.11 -1.39 0.64 116.57 120.96 1zit h LYS 39 Ca 0.69 0.01 -0.06 0.00 -2.81 0.00 0.00 60.65 58.48 1zit h LYS 39 Cb 1.59 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 32.83 1zit h LYS 39 CO -0.71 -0.04 -0.04 0.87 -2.81 0.00 0.00 179.45 176.73 1zit h LYS 40 N -0.18 0.55 -0.00 1.90 1.79 0.20 -2.23 116.57 118.59 1zit h LYS 40 Ca -0.01 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1zit h LYS 40 Cb 0.15 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 1zit h LYS 40 CO 0.02 0.60 -0.19 -0.89 -1.08 0.00 0.00 179.45 177.92 1zit n ILE 41 N -4.25 0.00 -0.69 1.86 5.41 0.34 -3.70 119.36 118.33 1zit n ILE 41 Ca 0.01 -0.06 -0.18 0.00 1.00 0.00 0.00 62.75 63.52 1zit n ILE 41 Cb 0.28 0.01 0.12 0.00 -0.71 0.00 0.00 39.64 39.34 1zit n ILE 41 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1zit n LYS 42 N -1.03 1.95 0.05 0.38 5.02 0.22 -4.37 118.16 120.39 1zit n LYS 42 Ca 0.12 -2.23 0.00 0.00 -2.02 0.00 0.00 58.31 54.18 1zit n LYS 42 Cb 0.31 -1.87 0.00 0.00 -0.02 0.00 0.00 35.03 33.44 1zit n LYS 42 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1zit n GLU 43 N -0.66 0.00 -4.03 1.97 1.02 -1.25 -5.01 120.64 112.69 1zit n GLU 43 Ca 0.44 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 57.32 1zit n GLU 43 Cb 1.28 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 32.65 1zit n GLU 43 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1zit s LEU 44 N -5.54 4.02 -0.97 -4.62 0.20 -1.24 -5.05 118.68 105.48 1zit s LEU 44 Ca 0.00 -0.01 -0.15 0.00 0.69 0.00 0.00 54.13 54.66 1zit s LEU 44 Cb 0.00 -2.62 0.18 0.00 -0.43 0.00 0.00 46.19 43.32 1zit s LEU 44 CO 0.00 0.06 1.08 0.12 -0.29 0.00 0.00 176.35 177.32 1zit s PHE 45 N -1.75 3.50 0.01 5.38 5.36 -1.26 -4.73 117.98 124.49 1zit s PHE 45 Ca 0.32 -1.84 -0.30 0.00 -0.96 0.00 0.00 56.93 54.15 1zit s PHE 45 Cb -0.10 -4.11 -0.06 0.00 -0.34 0.00 0.00 43.02 38.41 1zit s PHE 45 CO 0.25 -1.27 1.42 -0.06 -1.46 0.00 0.00 175.22 174.11 1zit s PHE 46 N 1.34 2.82 -0.00 10.12 0.08 -1.26 -4.91 117.98 126.16 1zit s PHE 46 Ca 0.30 0.78 0.15 0.00 0.12 0.00 0.00 56.93 58.28 1zit s PHE 46 Cb -0.06 -3.69 0.22 0.00 -0.57 0.00 0.00 43.02 38.92 1zit s PHE 46 CO -0.08 -2.57 1.51 -1.00 -0.10 0.00 0.00 175.22 172.99 1zit h PRO 47 N 7.87 0.00 -3.61 0.24 0.13 -1.92 -3.44 132.00 131.27 1zit h PRO 47 Ca -0.38 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.44 1zit h PRO 47 Cb 1.18 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.98 1zit h PRO 47 CO 0.90 0.54 -0.73 0.08 -0.23 0.00 0.00 178.00 178.56 1zit s VAL 48 N -3.14 0.02 0.17 1.56 1.01 -1.25 0.01 120.40 118.78 1zit s VAL 48 Ca 0.02 0.15 0.11 0.00 0.00 0.00 0.00 61.98 62.27 1zit s VAL 48 Cb 0.09 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.29 1zit s VAL 48 CO 0.74 0.10 -0.25 -0.63 0.00 0.00 0.00 175.10 175.06 1zit s ILE 49 N 0.95 2.29 -0.22 2.22 -1.09 0.21 0.42 121.20 125.98 1zit s ILE 49 Ca -0.08 -1.94 -0.04 0.00 -2.23 0.00 0.00 60.65 56.35 1zit s ILE 49 Cb -0.12 -2.07 0.09 0.00 -1.58 0.00 0.00 42.46 38.78 1zit s ILE 49 CO -0.02 -0.07 0.18 -0.69 -1.23 0.00 0.00 174.94 173.11 1zit s VAL 50 N -1.51 -0.23 -0.98 2.92 1.01 0.21 -2.34 120.40 119.48 1zit s VAL 50 Ca 0.18 -0.28 -0.13 0.00 0.00 0.00 0.00 61.98 61.75 1zit s VAL 50 Cb -0.08 -0.74 0.22 0.00 0.00 0.00 0.00 36.38 35.77 1zit s VAL 50 CO 0.09 -0.34 1.02 -0.22 0.00 0.00 0.00 175.10 175.64 1zit s LEU 51 N 2.25 6.13 -0.73 3.92 2.96 -1.26 0.17 118.68 132.12 1zit s LEU 51 Ca 0.06 -2.89 -0.24 0.00 -0.22 0.00 0.00 54.13 50.84 1zit s LEU 51 Cb -0.16 -2.27 -0.19 0.00 0.50 0.00 0.00 46.19 44.08 1zit s LEU 51 CO -0.18 -0.59 1.88 -0.67 -1.32 0.00 0.00 176.35 175.46 1zit n ASP 52 N 4.25 2.31 -4.46 3.68 -0.08 0.35 -3.71 116.55 118.88 1zit n ASP 52 Ca 0.21 -2.64 -0.13 0.00 -1.51 0.00 0.00 54.79 50.72 1zit n ASP 52 Cb 0.45 -1.16 -0.10 0.00 2.34 0.00 0.00 41.12 42.64 1zit n ASP 52 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1zit n VAL 53 N 6.69 0.00 0.00 5.18 3.14 -1.26 -4.10 118.33 127.99 1zit n VAL 53 Ca 0.48 -0.34 0.00 0.00 -2.96 0.00 0.00 64.34 61.52 1zit n VAL 53 Cb 0.42 -1.32 0.00 0.00 -1.06 0.00 0.00 33.84 31.89 1zit n VAL 53 CO 0.00 0.00 0.00 1.87 -6.46 0.00 0.00 176.83 172.24 1zit n TRP 54 N 14.51 0.00 -2.71 1.45 -0.00 -1.26 -3.74 117.44 125.69 1zit n TRP 54 Ca 0.41 0.00 -0.08 0.00 -0.00 0.00 0.00 57.50 57.83 1zit n TRP 54 Cb 0.40 0.00 0.10 0.00 -0.00 0.00 0.00 31.31 31.81 1zit n TRP 54 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1zit n MET 55 N -0.48 1.06 0.00 5.87 0.00 -1.26 -4.82 117.12 117.49 1zit n MET 55 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 57.70 55.89 1zit n MET 55 Cb 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 33.22 32.71 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 -0.12 2.44 -2.70 3.17 -0.05 -1.26 -5.08 135.00 131.40 1zit n PRO 56 Ca 0.01 0.00 -0.07 0.00 -0.05 0.00 0.00 63.50 63.39 1zit n PRO 56 Cb 0.77 0.00 0.12 0.00 -0.05 0.00 0.00 33.50 34.34 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 -1.87 -0.02 3.54 5.75 -1.26 -4.95 116.55 117.75 1zit n ASP 57 Ca 0.00 -2.45 0.02 0.00 -0.01 0.00 0.00 54.79 52.34 1zit n ASP 57 Cb 0.00 1.00 0.02 0.00 -1.03 0.00 0.00 41.12 41.11 1zit n ASP 57 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1zit n GLY 58 N -0.62 2.99 3.15 6.12 0.00 -1.26 -5.05 105.19 110.52 1zit n GLY 58 Ca -0.03 -0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.62 -6.91 0.31 1.61 8.00 -1.26 -4.84 116.55 112.85 1zit n ASP 59 Ca 0.03 0.17 0.20 0.00 0.71 0.00 0.00 54.79 55.90 1zit n ASP 59 Cb 0.33 -3.85 1.02 0.00 -0.02 0.00 0.00 41.12 38.60 1zit n ASP 59 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1zit h GLY 60 N 1.83 0.00 0.10 0.44 0.00 -2.00 -2.93 103.07 100.51 1zit h GLY 60 Ca -0.24 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.24 1zit h GLY 60 CO 0.23 0.00 0.26 -2.08 0.00 0.00 0.00 176.54 174.95 1zit h VAL 61 N 0.00 0.62 0.00 4.60 2.07 -1.88 0.18 116.25 121.84 1zit h VAL 61 Ca -0.00 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.31 1zit h VAL 61 Cb 0.16 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1zit h VAL 61 CO 0.00 0.07 -0.36 0.78 0.02 0.00 0.00 177.57 178.09 1zit h ASN 62 N 0.39 0.00 -0.91 0.57 2.35 -1.85 -3.17 115.58 112.96 1zit h ASN 62 Ca 0.41 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.15 1zit h ASN 62 Cb 0.64 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.97 1zit h ASN 62 CO -0.43 0.36 0.54 0.15 -1.65 0.00 0.00 177.43 176.40 1zit h PHE 63 N 0.00 1.21 -1.13 1.19 3.57 -0.74 -2.24 116.94 118.80 1zit h PHE 63 Ca -0.00 -0.01 0.33 0.00 3.53 0.00 0.00 57.97 61.82 1zit h PHE 63 Cb 0.98 -0.40 -0.05 0.00 2.79 0.00 0.00 35.95 39.28 1zit h PHE 63 CO 0.00 0.81 0.90 0.82 -2.23 0.00 0.00 178.31 178.61 1zit h ILE 64 N 1.26 0.30 -0.01 1.41 5.03 -1.44 0.45 117.51 124.52 1zit h ILE 64 Ca 0.33 0.00 -0.22 0.00 -0.12 0.00 0.00 64.86 64.84 1zit h ILE 64 Cb -0.04 0.35 0.02 0.00 -3.03 0.00 0.00 36.82 34.12 1zit h ILE 64 CO -0.06 0.00 -0.87 -0.78 -0.68 0.00 0.00 178.15 175.76 1zit h ASP 65 N 0.00 0.79 -0.82 1.72 1.82 -1.61 -2.90 116.42 115.42 1zit h ASP 65 Ca 0.54 -0.73 0.05 0.00 -0.39 0.00 0.00 57.03 56.49 1zit h ASP 65 Cb 2.32 -0.24 -0.06 0.00 0.68 0.00 0.00 39.33 42.04 1zit h ASP 65 CO -0.01 1.42 0.51 0.15 -1.61 0.00 0.00 179.24 179.71 1zit h PHE 66 N 0.24 0.96 -0.65 0.28 3.04 -0.18 1.05 116.94 121.67 1zit h PHE 66 Ca -0.10 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.82 1zit h PHE 66 Cb 1.54 -0.31 -0.03 0.00 2.56 0.00 0.00 35.95 39.71 1zit h PHE 66 CO 0.12 0.51 0.21 0.82 -2.02 0.00 0.00 178.31 177.95 1zit h ILE 67 N 0.96 1.25 0.00 1.41 5.03 -1.48 -1.98 117.51 122.70 1zit h ILE 67 Ca 0.35 -0.84 0.00 0.00 -0.12 0.00 0.00 64.86 64.24 1zit h ILE 67 Cb 0.10 0.56 0.00 0.00 -3.03 0.00 0.00 36.82 34.46 1zit h ILE 67 CO -0.15 0.33 -0.11 2.29 -0.68 0.00 0.00 178.15 179.82 1zit n LYS 68 N -4.36 0.11 0.05 2.37 -0.00 -0.71 0.21 118.16 115.84 1zit n LYS 68 Ca 0.04 0.08 -0.21 0.00 -0.00 0.00 0.00 58.31 58.23 1zit n LYS 68 Cb 0.21 -1.62 -0.12 0.00 -0.00 0.00 0.00 35.03 33.51 1zit n LYS 68 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1zit h GLU 69 N 0.00 0.63 -0.05 -1.58 4.81 0.18 -3.25 114.58 115.33 1zit h GLU 69 Ca 0.00 -0.74 0.00 0.00 -0.13 0.00 0.00 59.36 58.49 1zit h GLU 69 Cb 0.60 0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.21 1zit h GLU 69 CO 0.00 1.32 0.00 0.09 -0.73 0.00 0.00 179.01 179.69 1zit n ASN 70 N -3.89 2.10 -2.79 1.04 3.02 -0.91 -4.80 115.26 109.04 1zit n ASN 70 Ca -0.12 -1.98 -0.10 0.00 -0.03 0.00 0.00 54.58 52.36 1zit n ASN 70 Cb 0.89 -0.03 0.05 0.00 -0.61 0.00 0.00 39.78 40.09 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 -0.35 -2.40 0.11 6.41 7.64 0.13 -4.95 113.62 120.20 1zit n SER 71 Ca 0.02 -3.40 0.12 0.00 1.01 0.00 0.00 58.87 56.62 1zit n SER 71 Cb 0.27 1.64 0.45 0.00 -1.01 0.00 0.00 64.21 65.55 1zit n SER 71 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1zit n PRO 72 N 1.15 0.22 -0.91 1.43 -0.02 -1.23 -3.00 135.00 132.64 1zit n PRO 72 Ca 0.09 0.28 -0.09 0.00 -2.02 0.00 0.00 63.50 61.76 1zit n PRO 72 Cb 0.65 -1.80 0.20 0.00 -0.02 0.00 0.00 33.50 32.52 1zit n PRO 72 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1zit n ASP 73 N -2.19 2.84 0.00 2.55 -0.08 -1.26 -4.98 116.55 113.43 1zit n ASP 73 Ca 0.04 -3.72 0.00 0.00 -1.51 0.00 0.00 54.79 49.60 1zit n ASP 73 Cb 0.34 -0.69 0.00 0.00 2.34 0.00 0.00 41.12 43.12 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 -1.10 0.41 -3.77 1.67 2.88 -1.16 -4.76 113.62 107.78 1zit n SER 74 Ca 0.40 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.81 1zit n SER 74 Cb 1.20 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 64.54 1zit n SER 74 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1zit s VAL 75 N 2.06 -0.01 -0.23 2.46 1.01 0.10 -4.93 120.40 120.88 1zit s VAL 75 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.02 1zit s VAL 75 Cb 0.00 -0.38 0.05 0.00 0.00 0.00 0.00 36.38 36.06 1zit s VAL 75 CO 0.00 0.01 -0.09 -0.69 0.00 0.00 0.00 175.10 174.33 1zit s VAL 76 N 0.37 1.77 -0.48 2.92 1.01 -1.26 0.63 120.40 125.36 1zit s VAL 76 Ca -0.02 -1.25 0.04 0.00 0.00 0.00 0.00 61.98 60.75 1zit s VAL 76 Cb -0.03 -1.90 0.43 0.00 0.00 0.00 0.00 36.38 34.87 1zit s VAL 76 CO -0.02 0.04 1.44 -0.38 0.00 0.00 0.00 175.10 176.18 1zit n ILE 77 N 4.61 2.83 -1.59 2.22 2.08 -0.99 -0.91 119.36 127.61 1zit n ILE 77 Ca -0.14 -4.22 -0.59 0.00 0.56 0.00 0.00 62.75 58.36 1zit n ILE 77 Cb 0.45 -1.20 -0.09 0.00 -0.75 0.00 0.00 39.64 38.05 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 -0.65 0.17 -1.11 1.39 0.31 -1.25 -4.43 118.33 112.76 1zit n VAL 78 Ca 0.47 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.73 1zit n VAL 78 Cb 0.72 -1.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.63 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 5.26 0.00 -1.27 2.52 5.41 -1.24 -3.29 119.36 126.74 1zit n ILE 79 Ca 0.35 0.00 0.16 0.00 1.00 0.00 0.00 62.75 64.26 1zit n ILE 79 Cb 0.08 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 38.95 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 0.00 0.00 0.00 1.39 -1.04 -1.26 -3.99 114.28 109.37 1zit n THR 80 Ca 0.00 0.26 0.00 0.00 -2.04 0.00 0.00 64.05 62.27 1zit n THR 80 Cb 0.00 -0.67 0.00 0.00 -1.82 0.00 0.00 70.33 67.84 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 -3.83 0.76 2.08 3.41 0.00 -1.25 -4.82 105.19 101.55 1zit n GLY 81 Ca -0.02 -0.66 -0.19 0.00 0.00 0.00 0.00 46.02 45.16 1zit n GLY 81 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1zit n HIS 82 N 0.00 2.71 -0.10 1.61 1.44 -1.26 -4.28 115.22 115.33 1zit n HIS 82 Ca 0.00 -1.61 -0.14 0.00 -2.01 0.00 0.00 57.72 53.97 1zit n HIS 82 Cb 0.00 -0.84 -0.10 0.00 0.12 0.00 0.00 29.99 29.17 1zit n HIS 82 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1zit n GLY 83 N -0.82 -0.35 3.74 -1.39 0.00 -1.26 -5.10 105.19 100.00 1zit n GLY 83 Ca 0.51 -0.15 0.04 0.00 0.00 0.00 0.00 46.02 46.41 1zit n GLY 83 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1zit s SER 84 N -5.93 -0.01 -0.43 1.61 1.04 -1.26 -5.02 113.70 103.70 1zit s SER 84 Ca -0.26 -0.05 0.03 0.00 0.48 0.00 0.00 55.95 56.14 1zit s SER 84 Cb 0.07 0.05 0.56 0.00 0.10 0.00 0.00 66.02 66.80 1zit s SER 84 CO 0.51 -0.10 1.86 1.33 0.98 0.00 0.00 173.24 177.82 1zit n VAL 85 N -0.67 3.05 0.21 5.02 0.24 -1.26 -4.16 118.33 120.77 1zit n VAL 85 Ca -0.04 -1.87 0.09 0.00 -2.04 0.00 0.00 64.34 60.48 1zit n VAL 85 Cb 0.62 -0.64 -0.13 0.00 -1.47 0.00 0.00 33.84 32.22 1zit n VAL 85 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1zit n ASP 86 N -0.92 0.87 0.10 -1.34 -0.08 -1.26 -4.19 116.55 109.73 1zit n ASP 86 Ca 0.54 -0.24 -0.18 0.00 -1.51 0.00 0.00 54.79 53.40 1zit n ASP 86 Cb 1.40 1.60 -0.14 0.00 2.34 0.00 0.00 41.12 46.32 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 1.36 0.88 5.18 1.03 -1.97 -2.65 112.91 116.74 1zit h THR 87 Ca 0.00 -2.92 -0.04 0.00 -0.01 0.00 0.00 66.41 63.44 1zit h THR 87 Cb 0.71 2.91 0.00 0.00 -1.07 0.00 0.00 68.15 70.71 1zit h THR 87 CO 0.00 0.86 -0.46 0.00 -0.01 0.00 0.00 175.52 175.91 1zit h ALA 88 N 0.47 -1.25 -0.17 0.00 0.00 -1.83 -1.52 119.26 114.95 1zit h ALA 88 Ca -0.19 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.49 1zit h ALA 88 Cb 2.02 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 20.33 1zit h ALA 88 CO 0.21 -1.21 0.12 -0.39 0.00 0.00 0.00 179.25 177.97 1zit h VAL 89 N -1.24 0.97 0.00 0.00 -1.51 -1.73 0.77 116.25 113.52 1zit h VAL 89 Ca -0.12 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 65.32 1zit h VAL 89 Cb 0.96 0.86 0.00 0.00 -2.13 0.00 0.00 31.29 30.98 1zit h VAL 89 CO 0.17 0.02 0.00 1.17 -1.23 0.00 0.00 177.57 177.70 1zit n LYS 90 N -4.50 0.11 -0.01 5.19 4.81 -0.94 -3.66 118.16 119.16 1zit n LYS 90 Ca 0.00 0.11 -0.01 0.00 -0.87 0.00 0.00 58.31 57.54 1zit n LYS 90 Cb 0.18 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 33.72 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 -1.43 1.95 -1.86 3.14 0.00 0.41 -4.82 120.51 117.91 1zit n ALA 91 Ca 0.07 -0.10 -0.31 0.00 0.00 0.00 0.00 53.44 53.09 1zit n ALA 91 Cb 0.23 0.34 -0.01 0.00 0.00 0.00 0.00 19.45 20.02 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 -2.04 4.65 0.00 0.00 -4.36 0.24 -3.03 121.20 116.66 1zit s ILE 92 Ca -0.02 1.00 0.00 0.00 -0.26 0.00 0.00 60.65 61.37 1zit s ILE 92 Cb 0.01 -3.82 0.00 0.00 1.25 0.00 0.00 42.46 39.90 1zit s ILE 92 CO 0.06 -0.99 0.00 0.29 0.24 0.00 0.00 174.94 174.54 1zit n LYS 93 N -2.34 0.00 0.25 0.37 4.76 -1.22 -4.58 118.16 115.41 1zit n LYS 93 Ca 0.06 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.63 1zit n LYS 93 Cb 0.54 0.00 0.63 0.00 -1.84 0.00 0.00 35.03 34.36 1zit n LYS 93 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 1zit h LYS 94 N 0.00 0.00 0.00 1.97 1.63 -1.88 -3.43 116.57 114.86 1zit h LYS 94 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1zit h LYS 94 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1zit h LYS 94 CO 0.00 0.13 0.00 0.41 -3.45 0.00 0.00 179.45 176.54 1zit n GLY 95 N -0.17 0.00 3.92 5.01 0.00 -1.25 -4.87 105.19 107.83 1zit n GLY 95 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.14 2.31 -0.77 4.61 0.00 -1.17 -4.71 121.76 121.89 1zit s ALA 96 Ca 0.00 -1.05 0.20 0.00 0.00 0.00 0.00 51.96 51.12 1zit s ALA 96 Cb 0.00 -2.83 -0.24 0.00 0.00 0.00 0.00 23.12 20.05 1zit s ALA 96 CO 0.00 -2.26 0.79 0.98 0.00 0.00 0.00 175.76 175.27 1zit n TYR 97 N -3.67 0.00 -0.65 0.00 9.36 -0.09 -3.37 117.16 118.75 1zit n TYR 97 Ca 0.13 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.35 1zit n TYR 97 Cb 0.60 -0.10 0.00 0.00 -0.63 0.00 0.00 39.34 39.21 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 -1.64 -1.18 -5.15 2.98 -0.00 -1.24 -4.91 120.64 109.50 1zit n GLU 98 Ca 0.02 0.00 -0.32 0.00 -0.00 0.00 0.00 57.16 56.86 1zit n GLU 98 Cb 0.37 0.00 -0.16 0.00 -0.00 0.00 0.00 31.44 31.64 1zit n GLU 98 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1zit s PHE 99 N -1.80 2.58 -0.52 -1.84 0.40 -1.26 -3.84 117.98 111.69 1zit s PHE 99 Ca 0.00 -0.91 -0.02 0.00 -0.60 0.00 0.00 56.93 55.39 1zit s PHE 99 Cb 0.00 -1.71 0.24 0.00 0.51 0.00 0.00 43.02 42.06 1zit s PHE 99 CO 0.00 -0.34 2.26 -0.11 0.70 0.00 0.00 175.22 177.73 1zit n LEU 100 N 3.40 6.92 -0.00 -0.37 -0.00 -1.21 -4.26 117.00 121.48 1zit n LEU 100 Ca -0.19 -4.01 0.11 0.00 -0.00 0.00 0.00 56.01 51.92 1zit n LEU 100 Cb 0.53 -1.10 -0.14 0.00 -0.00 0.00 0.00 43.42 42.71 1zit n LEU 100 CO 0.28 1.53 -0.54 -1.84 -0.00 0.00 0.00 177.39 176.82 1zit n GLU 101 N 0.10 0.50 0.04 1.96 0.28 -1.26 -4.52 120.64 117.72 1zit n GLU 101 Ca 0.47 -0.14 -0.14 0.00 -0.16 0.00 0.00 57.16 57.19 1zit n GLU 101 Cb 0.53 -1.53 -0.08 0.00 1.43 0.00 0.00 31.44 31.78 1zit n GLU 101 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1zit h LYS 102 N 0.00 -0.58 0.00 3.44 1.63 -1.99 -3.43 116.57 115.63 1zit h LYS 102 Ca 0.00 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1zit h LYS 102 Cb 0.88 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.64 1zit h LYS 102 CO 0.00 -0.39 0.00 -0.35 -3.45 0.00 0.00 179.45 175.26 1zit n PRO 103 N -5.45 -0.22 -1.54 1.90 -0.04 -1.26 -5.03 135.00 123.36 1zit n PRO 103 Ca -0.06 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.43 1zit n PRO 103 Cb 0.38 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 33.89 1zit n PRO 103 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1zit n PHE 104 N -1.92 0.18 -3.86 0.54 -1.74 -1.26 -5.09 117.46 104.30 1zit n PHE 104 Ca 0.00 -0.82 -0.03 0.00 -0.56 0.00 0.00 57.45 56.03 1zit n PHE 104 Cb 0.00 -0.17 -0.01 0.00 1.52 0.00 0.00 39.48 40.82 1zit n PHE 104 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 1zit n SER 105 N 0.17 -0.21 -0.01 5.98 7.64 -1.26 -5.07 113.62 120.86 1zit n SER 105 Ca 0.08 -1.40 0.01 0.00 1.01 0.00 0.00 58.87 58.57 1zit n SER 105 Cb 1.05 0.42 -0.01 0.00 -1.01 0.00 0.00 64.21 64.66 1zit n SER 105 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1zit n VAL 106 N -0.12 0.00 -0.05 0.44 3.14 -1.26 -4.66 118.33 115.82 1zit n VAL 106 Ca 0.01 -0.46 -0.11 0.00 -2.96 0.00 0.00 64.34 60.82 1zit n VAL 106 Cb 0.12 1.01 -0.06 0.00 -1.06 0.00 0.00 33.84 33.85 1zit n VAL 106 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 1zit h GLU 107 N 0.06 0.28 -0.47 1.45 4.22 -2.00 -2.31 114.58 115.80 1zit h GLU 107 Ca 0.00 -0.08 0.05 0.00 0.08 0.00 0.00 59.36 59.41 1zit h GLU 107 Cb 0.06 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1zit h GLU 107 CO 0.00 0.46 0.32 -0.09 -2.18 0.00 0.00 179.01 177.51 1zit h ARG 108 N 0.06 0.44 -0.57 1.92 1.12 -2.02 -0.27 114.38 115.06 1zit h ARG 108 Ca 0.05 -0.03 -0.06 0.00 -1.11 0.00 0.00 59.98 58.83 1zit h ARG 108 Cb 0.32 -0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 30.15 1zit h ARG 108 CO 0.00 0.29 0.10 0.35 -3.11 0.00 0.00 179.97 177.60 1zit h PHE 109 N 0.45 0.94 -0.37 2.20 3.57 -1.73 -2.91 116.94 119.10 1zit h PHE 109 Ca 0.20 -0.11 0.06 0.00 3.53 0.00 0.00 57.97 61.65 1zit h PHE 109 Cb 0.22 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 38.65 1zit h PHE 109 CO -0.00 0.81 0.07 -0.07 -2.23 0.00 0.00 178.31 176.88 1zit h LEU 110 N 0.86 -0.01 -0.60 0.59 3.38 -0.50 -0.59 115.31 118.43 1zit h LEU 110 Ca 0.18 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.26 1zit h LEU 110 Cb 0.37 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 1zit h LEU 110 CO 0.01 0.03 0.33 -0.07 0.09 0.00 0.00 178.44 178.83 1zit h LEU 111 N 0.19 0.48 -0.78 1.67 4.07 -1.42 -1.90 115.31 117.62 1zit h LEU 111 Ca 0.18 0.03 -0.05 0.00 0.08 0.00 0.00 57.88 58.12 1zit h LEU 111 Cb 0.21 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 41.85 1zit h LEU 111 CO -0.24 0.32 0.30 0.74 -1.08 0.00 0.00 178.44 178.48 1zit h THR 112 N 0.62 1.26 0.13 0.22 2.02 -1.31 -2.94 112.91 112.91 1zit h THR 112 Ca 0.27 -0.83 0.01 0.00 0.77 0.00 0.00 66.41 66.62 1zit h THR 112 Cb 0.16 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 1zit h THR 112 CO -0.17 0.34 -0.18 0.40 0.37 0.00 0.00 175.52 176.28 1zit h ILE 113 N 1.14 0.60 -0.11 3.11 1.08 -0.37 0.91 117.51 123.86 1zit h ILE 113 Ca 0.26 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.76 1zit h ILE 113 Cb 0.23 0.60 -0.06 0.00 -3.07 0.00 0.00 36.82 34.51 1zit h ILE 113 CO -0.02 0.00 -0.52 0.50 -0.69 0.00 0.00 178.15 177.42 1zit h LYS 114 N -0.36 -0.56 -0.47 2.37 3.11 -1.29 0.24 116.57 119.61 1zit h LYS 114 Ca 0.02 0.04 0.12 0.00 -2.81 0.00 0.00 60.65 58.02 1zit h LYS 114 Cb 0.37 0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.70 1zit h LYS 114 CO -0.08 -0.38 0.33 1.25 -2.81 0.00 0.00 179.45 177.77 1zit h HIS 115 N -0.58 0.09 -0.80 1.91 2.76 -1.36 0.11 115.15 117.27 1zit h HIS 115 Ca 0.04 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.19 1zit h HIS 115 Cb 0.68 -0.03 -0.04 0.00 1.55 0.00 0.00 27.41 29.57 1zit h HIS 115 CO -0.56 0.04 0.42 0.00 -1.30 0.00 0.00 177.93 176.54 1zit h ALA 116 N 1.77 1.25 0.00 5.26 0.00 0.20 -2.06 119.26 125.67 1zit h ALA 116 Ca 0.22 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1zit h ALA 116 Cb 0.78 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1zit h ALA 116 CO -0.02 0.60 -0.67 0.74 0.00 0.00 0.00 179.25 179.91 1zit h PHE 117 N 1.11 0.00 -0.25 0.00 0.04 -0.05 -3.14 116.94 114.65 1zit h PHE 117 Ca 0.28 0.00 0.07 0.00 2.80 0.00 0.00 57.97 61.12 1zit h PHE 117 Cb 0.04 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 1zit h PHE 117 CO 0.01 0.67 0.20 0.93 -0.60 0.00 0.00 178.31 179.51 1zit h GLU 118 N 0.00 0.00 -1.00 1.51 5.08 -0.76 0.16 114.58 119.56 1zit h GLU 118 Ca -0.01 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.90 1zit h GLU 118 Cb 1.27 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.25 1zit h GLU 118 CO 0.09 0.00 0.58 0.39 -1.00 0.00 0.00 179.01 179.06 1zit n GLU 119 N -4.27 2.09 -0.91 2.33 1.02 -1.19 -4.32 120.64 115.39 1zit n GLU 119 Ca 0.03 -2.62 -0.08 0.00 -0.02 0.00 0.00 57.16 54.47 1zit n GLU 119 Cb 0.35 -2.03 0.22 0.00 -0.02 0.00 0.00 31.44 29.96 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 -0.93 1.78 -1.04 -0.32 9.36 0.04 -4.90 117.16 121.14 1zit n TYR 120 Ca 0.52 -1.54 0.00 0.00 3.32 0.00 0.00 57.90 60.21 1zit n TYR 120 Cb 1.52 -0.62 0.00 0.00 -0.63 0.00 0.00 39.34 39.61 1zit n TYR 120 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53