#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 -1.39 -1.48 3.17 4.76 -1.26 -5.06 118.16 116.90 1zit n LYS 2 Ca 0.00 0.91 -0.01 0.00 -2.87 0.00 0.00 58.31 56.35 1zit n LYS 2 Cb 0.00 -1.69 -0.00 0.00 -1.84 0.00 0.00 35.03 31.49 1zit n LYS 2 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1zit n ARG 3 N -2.71 -1.13 -4.23 1.97 3.00 -1.26 -4.69 116.66 107.62 1zit n ARG 3 Ca 0.00 1.22 -0.23 0.00 -0.01 0.00 0.00 57.85 58.83 1zit n ARG 3 Cb 0.31 -1.65 -0.07 0.00 0.00 0.00 0.00 32.46 31.06 1zit n ARG 3 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1zit s VAL 4 N -0.14 3.20 -0.03 1.55 1.01 -1.07 -3.97 120.40 120.96 1zit s VAL 4 Ca -0.03 -1.83 0.08 0.00 0.00 0.00 0.00 61.98 60.20 1zit s VAL 4 Cb 0.00 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 1zit s VAL 4 CO 0.07 -0.28 -0.25 -0.22 0.00 0.00 0.00 175.10 174.42 1zit s LEU 5 N -3.75 2.08 -0.20 3.92 2.96 0.16 -1.20 118.68 122.66 1zit s LEU 5 Ca 0.34 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 1zit s LEU 5 Cb -0.04 -1.35 0.03 0.00 0.50 0.00 0.00 46.19 45.33 1zit s LEU 5 CO 0.21 0.31 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.69 1zit s VAL 6 N -0.53 1.98 -0.35 1.68 1.01 0.29 -0.42 120.40 124.06 1zit s VAL 6 Ca 0.08 -1.07 -0.09 0.00 0.00 0.00 0.00 61.98 60.89 1zit s VAL 6 Cb -0.11 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.40 1zit s VAL 6 CO -0.00 0.35 0.17 -0.69 0.00 0.00 0.00 175.10 174.93 1zit s VAL 7 N 1.28 4.37 0.08 2.92 1.01 0.68 0.95 120.40 131.69 1zit s VAL 7 Ca 0.01 -0.81 -0.18 0.00 0.00 0.00 0.00 61.98 61.00 1zit s VAL 7 Cb -0.15 -3.39 0.04 0.00 0.00 0.00 0.00 36.38 32.88 1zit s VAL 7 CO -0.10 -0.14 0.43 -0.62 0.00 0.00 0.00 175.10 174.66 1zit s ASP 8 N 1.53 -0.29 0.00 3.32 2.15 0.13 -0.43 116.67 123.08 1zit s ASP 8 Ca 0.02 -0.12 0.00 0.00 0.43 0.00 0.00 52.55 52.88 1zit s ASP 8 Cb -0.19 0.46 0.00 0.00 -0.30 0.00 0.00 42.92 42.89 1zit s ASP 8 CO 0.05 -0.76 0.00 -0.67 -0.17 0.00 0.00 175.17 173.62 1zit n ASP 9 N 0.14 0.00 -4.37 -0.34 -0.08 -1.26 -3.65 116.55 106.99 1zit n ASP 9 Ca -0.17 0.41 -0.27 0.00 -1.51 0.00 0.00 54.79 53.24 1zit n ASP 9 Cb 0.62 -0.50 0.15 0.00 2.34 0.00 0.00 41.12 43.73 1zit n ASP 9 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1zit s GLU 10 N -1.00 1.10 -1.14 -0.67 0.41 -1.26 -4.92 118.70 111.23 1zit s GLU 10 Ca 0.00 -0.67 -0.06 0.00 -0.41 0.00 0.00 54.97 53.83 1zit s GLU 10 Cb 0.00 -2.04 0.27 0.00 -1.78 0.00 0.00 34.13 30.58 1zit s GLU 10 CO 0.00 -2.00 1.59 0.39 -0.49 0.00 0.00 175.26 174.74 1zit n GLU 11 N -3.38 4.21 -0.08 1.61 1.02 -1.26 -4.58 120.64 118.18 1zit n GLU 11 Ca 0.15 -4.26 -0.10 0.00 -0.02 0.00 0.00 57.16 52.93 1zit n GLU 11 Cb 0.60 -2.63 -0.09 0.00 -0.02 0.00 0.00 31.44 29.30 1zit n GLU 11 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1zit n SER 12 N 2.12 2.36 -0.05 1.62 7.64 -1.26 -4.58 113.62 121.46 1zit n SER 12 Ca 0.30 -0.07 -0.06 0.00 1.01 0.00 0.00 58.87 60.06 1zit n SER 12 Cb 0.34 0.05 -0.07 0.00 -1.01 0.00 0.00 64.21 63.53 1zit n SER 12 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1zit n ILE 13 N -2.86 0.65 -0.22 0.44 -0.00 -1.26 -4.63 119.36 111.48 1zit n ILE 13 Ca -0.28 -0.35 0.00 0.00 -0.00 0.00 0.00 62.75 62.12 1zit n ILE 13 Cb 0.86 -0.81 0.12 0.00 -0.00 0.00 0.00 39.64 39.81 1zit n ILE 13 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.55 177.26 1zit h THR 14 N 0.00 0.85 -0.23 1.39 1.35 -1.85 0.46 112.91 114.88 1zit h THR 14 Ca -0.26 -0.19 -0.62 0.00 -0.55 0.00 0.00 66.41 64.79 1zit h THR 14 Cb 1.52 0.25 -0.01 0.00 -1.73 0.00 0.00 68.15 68.18 1zit h THR 14 CO -0.00 0.10 3.02 -1.20 -0.25 0.00 0.00 175.52 177.19 1zit n SER 15 N -4.89 8.19 0.00 5.36 7.64 -1.26 -3.23 113.62 125.42 1zit n SER 15 Ca 0.09 -2.68 0.00 0.00 1.01 0.00 0.00 58.87 57.30 1zit n SER 15 Cb 0.25 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 61.95 1zit n SER 15 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1zit n SER 16 N 3.05 0.00 0.33 6.43 7.64 -1.08 -4.98 113.62 125.01 1zit n SER 16 Ca 0.71 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 60.42 1zit n SER 16 Cb 0.32 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.43 1zit n SER 16 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1zit h LEU 17 N 0.00 -0.69 -0.87 -3.43 7.12 -0.18 0.24 115.31 117.49 1zit h LEU 17 Ca 0.00 0.03 0.11 0.00 0.13 0.00 0.00 57.88 58.14 1zit h LEU 17 Cb 0.00 0.18 -0.08 0.00 -0.53 0.00 0.00 40.66 40.23 1zit h LEU 17 CO 0.00 -0.49 0.51 0.28 -0.13 0.00 0.00 178.44 178.61 1zit h SER 18 N -0.80 0.72 -0.67 1.25 0.02 -1.69 -0.15 113.55 112.24 1zit h SER 18 Ca -0.08 0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.86 1zit h SER 18 Cb 0.62 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 1zit h SER 18 CO 0.12 0.39 0.19 0.00 -1.14 0.00 0.00 176.83 176.40 1zit h ALA 19 N 1.49 1.04 0.45 3.77 0.00 -1.67 -2.47 119.26 121.87 1zit h ALA 19 Ca 0.43 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1zit h ALA 19 Cb 0.43 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1zit h ALA 19 CO -0.27 0.64 -0.29 0.82 0.00 0.00 0.00 179.25 180.15 1zit h ILE 20 N 1.02 0.00 -1.08 0.00 2.04 0.13 -2.02 117.51 117.60 1zit h ILE 20 Ca 0.22 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.37 1zit h ILE 20 Cb 0.33 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.30 1zit h ILE 20 CO -0.00 0.00 0.69 -0.07 0.00 0.00 0.00 178.15 178.77 1zit h LEU 21 N -0.70 0.42 -1.75 1.44 3.38 -1.36 1.18 115.31 117.91 1zit h LEU 21 Ca -0.06 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1zit h LEU 21 Cb 0.56 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1zit h LEU 21 CO 0.05 0.04 -0.14 -0.33 0.09 0.00 0.00 178.44 178.15 1zit h GLU 22 N 0.34 0.00 0.03 1.13 5.08 -0.95 0.19 114.58 120.40 1zit h GLU 22 Ca 0.64 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.76 1zit h GLU 22 Cb 1.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.93 1zit h GLU 22 CO -0.33 0.14 -1.01 1.49 -1.00 0.00 0.00 179.01 178.31 1zit h GLU 23 N 0.00 0.34 0.00 2.33 4.81 0.21 -3.05 114.58 119.21 1zit h GLU 23 Ca -0.00 -0.41 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1zit h GLU 23 Cb 0.26 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1zit h GLU 23 CO 0.02 1.11 0.00 0.39 -0.73 0.00 0.00 179.01 179.80 1zit n GLU 24 N -3.68 0.12 -0.56 1.92 -0.58 -0.66 -4.89 120.64 112.32 1zit n GLU 24 Ca -0.07 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1zit n GLU 24 Cb 0.88 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.25 1zit n GLU 24 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1zit n GLY 25 N 1.07 0.57 2.18 0.62 0.00 -0.39 -5.08 105.19 104.16 1zit n GLY 25 Ca 0.08 -0.24 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.32 0.48 -3.34 1.61 4.01 0.51 -4.91 117.16 115.21 1zit n TYR 26 Ca 0.00 -1.58 -0.26 0.00 -0.16 0.00 0.00 57.90 55.90 1zit n TYR 26 Cb 0.15 -0.13 -0.09 0.00 -0.31 0.00 0.00 39.34 38.95 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 -0.70 -0.86 -3.04 -0.72 -0.00 -1.26 -4.46 115.22 104.18 1zit n HIS 27 Ca -0.09 -3.33 -0.33 0.00 0.46 0.00 0.00 57.72 54.42 1zit n HIS 27 Cb 0.39 0.16 -0.06 0.00 -0.12 0.00 0.00 29.99 30.35 1zit n HIS 27 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1zit s PRO 28 N -0.19 4.12 -0.03 1.57 0.04 -1.26 -2.59 135.00 136.67 1zit s PRO 28 Ca 0.33 0.84 0.02 0.00 0.04 0.00 0.00 61.00 62.24 1zit s PRO 28 Cb 0.07 -2.45 0.01 0.00 0.04 0.00 0.00 34.50 32.16 1zit s PRO 28 CO -0.18 0.15 -0.09 0.34 0.04 0.00 0.00 177.00 177.26 1zit s ASP 29 N -2.13 1.27 0.02 6.66 2.15 -0.34 -4.93 116.67 119.39 1zit s ASP 29 Ca 0.54 -0.20 -0.03 0.00 0.43 0.00 0.00 52.55 53.30 1zit s ASP 29 Cb -0.11 -0.42 -0.04 0.00 -0.30 0.00 0.00 42.92 42.05 1zit s ASP 29 CO 0.17 0.05 0.22 0.42 -0.17 0.00 0.00 175.17 175.85 1zit s THR 30 N 0.36 5.39 -0.04 1.71 -4.23 -1.26 0.10 115.64 117.67 1zit s THR 30 Ca -0.06 -0.17 -0.10 0.00 -1.18 0.00 0.00 61.69 60.17 1zit s THR 30 Cb -0.11 -3.58 0.02 0.00 1.34 0.00 0.00 72.50 70.18 1zit s THR 30 CO 0.01 0.25 0.24 0.00 -0.54 0.00 0.00 174.62 174.58 1zit s ALA 31 N -1.40 -0.60 1.00 3.99 0.00 0.27 -4.90 121.76 120.12 1zit s ALA 31 Ca 0.31 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.64 1zit s ALA 31 Cb -0.13 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.87 1zit s ALA 31 CO 0.22 -0.19 0.00 1.63 0.00 0.00 0.00 175.76 177.42 1zit n LYS 32 N 2.02 1.12 -0.69 0.00 5.02 -1.24 0.19 118.16 124.58 1zit n LYS 32 Ca -0.18 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.82 1zit n LYS 32 Cb 0.57 0.00 0.13 0.00 -0.02 0.00 0.00 35.03 35.71 1zit n LYS 32 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1zit n THR 33 N -0.77 0.00 -0.44 -0.18 -2.24 -1.26 -3.81 114.28 105.58 1zit n THR 33 Ca 0.00 -0.16 0.40 0.00 -2.27 0.00 0.00 64.05 62.03 1zit n THR 33 Cb 0.00 -0.43 0.76 0.00 -2.10 0.00 0.00 70.33 68.56 1zit n THR 33 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1zit h LEU 34 N -2.05 0.03 0.84 3.22 3.38 -1.95 0.24 115.31 119.03 1zit h LEU 34 Ca -0.41 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.53 1zit h LEU 34 Cb 1.15 0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.92 1zit h LEU 34 CO 0.27 -0.00 -0.41 0.03 0.09 0.00 0.00 178.44 178.42 1zit h ARG 35 N 0.02 -1.09 -0.87 1.13 2.47 -2.00 0.50 114.38 114.54 1zit h ARG 35 Ca 0.69 0.07 0.04 0.00 -1.26 0.00 0.00 59.98 59.52 1zit h ARG 35 Cb 2.71 0.25 -0.05 0.00 -1.65 0.00 0.00 29.97 31.23 1zit h ARG 35 CO -0.03 -0.73 0.57 1.49 0.56 0.00 0.00 179.97 181.83 1zit h GLU 36 N -1.14 1.05 -0.06 0.04 4.57 -1.30 -2.10 114.58 115.66 1zit h GLU 36 Ca -0.12 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.01 1zit h GLU 36 Cb 0.87 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 29.21 1zit h GLU 36 CO 0.19 0.70 -0.02 0.00 -1.18 0.00 0.00 179.01 178.70 1zit h ALA 37 N 1.49 0.04 -0.70 2.92 0.00 -0.77 -1.31 119.26 120.93 1zit h ALA 37 Ca 0.35 0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.43 1zit h ALA 37 Cb 0.03 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 17.74 1zit h ALA 37 CO -0.10 -0.49 -0.06 0.93 0.00 0.00 0.00 179.25 179.52 1zit h GLU 38 N -0.00 0.06 0.38 0.00 5.08 0.70 1.05 114.58 121.86 1zit h GLU 38 Ca 0.03 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1zit h GLU 38 Cb 0.04 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1zit h GLU 38 CO -0.06 0.04 -0.30 -0.22 -1.00 0.00 0.00 179.01 177.47 1zit h LYS 39 N 0.06 -0.66 -0.16 2.33 3.11 -1.19 1.13 116.57 121.19 1zit h LYS 39 Ca 0.36 0.05 0.05 0.00 -2.81 0.00 0.00 60.65 58.29 1zit h LYS 39 Cb 0.60 0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 31.97 1zit h LYS 39 CO -0.65 -0.44 0.16 0.87 -2.81 0.00 0.00 179.45 176.58 1zit h LYS 40 N -0.69 0.00 -0.01 1.90 1.79 0.24 0.89 116.57 120.70 1zit h LYS 40 Ca -0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1zit h LYS 40 Cb 0.59 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 1zit h LYS 40 CO -0.01 0.00 -0.59 -0.89 -1.08 0.00 0.00 179.45 176.88 1zit n ILE 41 N -3.94 0.00 -0.74 1.86 5.41 0.34 -3.91 119.36 118.38 1zit n ILE 41 Ca 0.01 -0.13 -0.08 0.00 1.00 0.00 0.00 62.75 63.55 1zit n ILE 41 Cb 0.28 0.92 0.24 0.00 -0.71 0.00 0.00 39.64 40.38 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 -0.71 3.13 0.14 0.38 4.76 0.38 -4.46 118.16 121.77 1zit n LYS 42 Ca 0.08 -2.59 0.00 0.00 -2.87 0.00 0.00 58.31 52.93 1zit n LYS 42 Cb 0.39 -2.07 0.00 0.00 -1.84 0.00 0.00 35.03 31.52 1zit n LYS 42 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1zit n GLU 43 N -0.21 0.00 -3.94 1.97 1.02 -1.23 -5.01 120.64 113.25 1zit n GLU 43 Ca 0.37 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 57.24 1zit n GLU 43 Cb 1.28 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 32.67 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 -6.79 4.34 -1.19 -4.62 0.20 -1.25 -5.03 118.68 104.34 1zit s LEU 44 Ca 0.00 0.20 -0.16 0.00 0.69 0.00 0.00 54.13 54.86 1zit s LEU 44 Cb 0.00 -2.92 0.14 0.00 -0.43 0.00 0.00 46.19 42.98 1zit s LEU 44 CO 0.00 0.09 1.47 0.12 -0.29 0.00 0.00 176.35 177.74 1zit s PHE 45 N -1.68 3.25 -0.14 5.38 2.19 -1.26 -4.70 117.98 121.02 1zit s PHE 45 Ca 0.35 -1.88 -0.29 0.00 0.33 0.00 0.00 56.93 55.44 1zit s PHE 45 Cb -0.12 -4.43 -0.04 0.00 -1.31 0.00 0.00 43.02 37.12 1zit s PHE 45 CO 0.28 -1.53 1.66 -0.06 1.83 0.00 0.00 175.22 177.41 1zit s PHE 46 N 2.48 2.00 0.13 10.12 0.08 -1.26 -4.90 117.98 126.63 1zit s PHE 46 Ca 0.44 0.38 -0.10 0.00 0.12 0.00 0.00 56.93 57.77 1zit s PHE 46 Cb -0.01 -3.94 -0.07 0.00 -0.57 0.00 0.00 43.02 38.42 1zit s PHE 46 CO 0.00 -3.43 1.38 -1.00 -0.10 0.00 0.00 175.22 172.07 1zit h PRO 47 N 10.36 0.75 -4.79 0.24 0.13 -1.84 -3.44 132.00 133.41 1zit h PRO 47 Ca -0.37 -0.54 -0.59 0.00 -0.87 0.00 0.00 66.00 63.63 1zit h PRO 47 Cb 1.17 0.09 -0.34 0.00 0.13 0.00 0.00 31.00 32.05 1zit h PRO 47 CO 0.98 1.16 -0.84 0.08 -0.23 0.00 0.00 178.00 179.15 1zit s VAL 48 N -3.90 1.54 -0.09 1.56 1.01 -1.26 0.14 120.40 119.41 1zit s VAL 48 Ca -0.09 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.23 1zit s VAL 48 Cb 0.10 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 1zit s VAL 48 CO 0.89 0.45 -0.16 -0.63 0.00 0.00 0.00 175.10 175.65 1zit s ILE 49 N 0.92 2.87 -0.21 2.22 -1.09 0.11 0.38 121.20 126.40 1zit s ILE 49 Ca -0.08 -0.76 -0.02 0.00 -2.23 0.00 0.00 60.65 57.57 1zit s ILE 49 Cb -0.15 -2.15 0.06 0.00 -1.58 0.00 0.00 42.46 38.64 1zit s ILE 49 CO -0.01 0.56 0.01 -0.69 -1.23 0.00 0.00 174.94 173.58 1zit s VAL 50 N -0.11 0.88 0.85 2.92 1.01 0.45 -2.51 120.40 123.89 1zit s VAL 50 Ca -0.02 -0.81 -0.12 0.00 0.00 0.00 0.00 61.98 61.02 1zit s VAL 50 Cb -0.14 -1.32 0.11 0.00 0.00 0.00 0.00 36.38 35.03 1zit s VAL 50 CO 0.04 -0.19 1.18 -0.22 0.00 0.00 0.00 175.10 175.91 1zit s LEU 51 N 1.69 2.35 0.12 3.92 2.96 -1.26 -0.23 118.68 128.23 1zit s LEU 51 Ca -0.02 0.80 0.00 0.00 -0.22 0.00 0.00 54.13 54.69 1zit s LEU 51 Cb -0.18 -3.21 0.00 0.00 0.50 0.00 0.00 46.19 43.31 1zit s LEU 51 CO -0.08 -2.17 0.00 -0.67 -1.32 0.00 0.00 176.35 172.11 1zit n ASP 52 N -3.49 0.08 -3.58 3.68 -0.08 0.43 -2.54 116.55 111.05 1zit n ASP 52 Ca 0.08 0.20 -0.23 0.00 -1.51 0.00 0.00 54.79 53.33 1zit n ASP 52 Cb 0.60 0.11 0.08 0.00 2.34 0.00 0.00 41.12 44.25 1zit n ASP 52 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1zit n VAL 53 N -3.06 -3.48 0.00 5.18 0.31 -1.26 -3.73 118.33 112.29 1zit n VAL 53 Ca 0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1zit n VAL 53 Cb 0.07 -4.14 0.00 0.00 -0.91 0.00 0.00 33.84 28.86 1zit n VAL 53 CO 0.00 0.00 0.00 1.87 -1.32 0.00 0.00 176.83 177.38 1zit n TRP 54 N -4.86 0.00 -0.03 3.52 -0.00 -1.26 -4.54 117.44 110.27 1zit n TRP 54 Ca -0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 57.50 57.33 1zit n TRP 54 Cb 0.58 0.00 -0.10 0.00 -0.00 0.00 0.00 31.31 31.79 1zit n TRP 54 CO 0.00 0.00 0.00 1.98 -0.00 0.00 0.00 177.69 179.67 1zit h MET 55 N 0.00 0.11 0.00 5.87 4.05 -1.97 -3.46 114.93 119.53 1zit h MET 55 Ca 0.00 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 1zit h MET 55 Cb 0.00 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.81 1zit h MET 55 CO 0.00 0.63 0.00 -0.35 0.23 0.00 0.00 176.91 177.42 1zit n PRO 56 N -4.72 -0.34 -2.71 0.39 -0.04 -1.26 -5.06 135.00 121.26 1zit n PRO 56 Ca -0.08 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.31 1zit n PRO 56 Cb 0.32 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 33.88 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 -2.29 -1.99 -4.64 3.54 2.03 -1.26 -4.83 116.55 107.11 1zit n ASP 57 Ca 0.00 -2.94 -0.42 0.00 0.52 0.00 0.00 54.79 51.95 1zit n ASP 57 Cb 0.00 1.48 -0.03 0.00 -0.72 0.00 0.00 41.12 41.85 1zit n ASP 57 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1zit s GLY 58 N -1.05 1.08 -0.31 0.27 0.00 -1.26 -4.84 107.32 101.21 1zit s GLY 58 Ca 0.20 1.05 0.02 0.00 0.00 0.00 0.00 44.72 45.99 1zit s GLY 58 CO -0.08 3.56 1.64 2.09 0.00 0.00 0.00 173.10 180.31 1zit n ASP 59 N 9.17 3.89 -3.37 1.64 5.68 -1.26 -4.78 116.55 127.51 1zit n ASP 59 Ca 0.23 -3.06 -0.31 0.00 -0.50 0.00 0.00 54.79 51.15 1zit n ASP 59 Cb 0.43 -0.76 -0.03 0.00 -1.14 0.00 0.00 41.12 39.62 1zit n ASP 59 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1zit n GLY 60 N -0.50 2.91 0.31 6.12 0.00 -1.26 -4.65 105.19 108.12 1zit n GLY 60 Ca 0.39 -1.03 0.11 0.00 0.00 0.00 0.00 46.02 45.48 1zit n GLY 60 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1zit h VAL 61 N 3.88 0.53 0.00 1.61 2.07 -1.90 0.85 116.25 123.29 1zit h VAL 61 Ca 0.46 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.84 1zit h VAL 61 Cb 0.38 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1zit h VAL 61 CO 1.67 0.08 0.02 -1.13 0.02 0.00 0.00 177.57 178.23 1zit h ASN 62 N 0.43 0.00 -0.84 0.57 -0.73 -1.94 -2.71 115.58 110.37 1zit h ASN 62 Ca 0.52 0.00 0.18 0.00 1.87 0.00 0.00 56.30 58.87 1zit h ASN 62 Cb 0.93 0.00 -0.11 0.00 0.27 0.00 0.00 38.32 39.42 1zit h ASN 62 CO -0.49 0.00 0.36 0.15 -0.37 0.00 0.00 177.43 177.08 1zit h PHE 63 N 0.00 0.61 -1.19 0.67 3.57 0.37 0.32 116.94 121.29 1zit h PHE 63 Ca 0.00 0.04 0.34 0.00 3.53 0.00 0.00 57.97 61.88 1zit h PHE 63 Cb 0.04 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.59 1zit h PHE 63 CO 0.00 0.03 0.85 0.82 -2.23 0.00 0.00 178.31 177.78 1zit h ILE 64 N 0.46 0.41 0.21 1.41 2.04 -1.65 0.16 117.51 120.54 1zit h ILE 64 Ca 0.49 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 66.33 1zit h ILE 64 Cb 0.82 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1zit h ILE 64 CO -0.46 0.00 -0.10 -0.78 0.00 0.00 0.00 178.15 176.82 1zit h ASP 65 N 0.02 -0.23 -0.87 1.72 3.58 -0.59 -2.61 116.42 117.43 1zit h ASP 65 Ca 0.57 -0.25 0.23 0.00 0.42 0.00 0.00 57.03 58.00 1zit h ASP 65 Cb 2.25 0.06 -0.14 0.00 1.72 0.00 0.00 39.33 43.22 1zit h ASP 65 CO -0.02 0.15 0.26 0.15 -2.88 0.00 0.00 179.24 176.90 1zit h PHE 66 N -0.66 0.41 -0.20 0.28 3.04 -0.69 1.56 116.94 120.69 1zit h PHE 66 Ca -0.03 0.05 -0.01 0.00 3.98 0.00 0.00 57.97 61.96 1zit h PHE 66 Cb 0.47 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 38.93 1zit h PHE 66 CO 0.04 -0.17 0.10 0.82 -2.02 0.00 0.00 178.31 177.08 1zit h ILE 67 N 0.25 1.12 0.00 1.41 5.03 -1.43 -1.90 117.51 121.98 1zit h ILE 67 Ca 0.54 -0.33 0.00 0.00 -0.12 0.00 0.00 64.86 64.96 1zit h ILE 67 Cb 1.08 0.98 0.00 0.00 -3.03 0.00 0.00 36.82 35.85 1zit h ILE 67 CO -0.62 0.11 0.00 0.29 -0.68 0.00 0.00 178.15 177.25 1zit n LYS 68 N -4.88 0.22 -0.01 2.37 4.76 0.48 0.35 118.16 121.45 1zit n LYS 68 Ca -0.04 0.27 -0.12 0.00 -2.87 0.00 0.00 58.31 55.55 1zit n LYS 68 Cb 0.08 -1.80 -0.10 0.00 -1.84 0.00 0.00 35.03 31.37 1zit n LYS 68 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1zit h GLU 69 N 0.00 -0.06 -0.33 1.97 4.81 0.28 -3.19 114.58 118.05 1zit h GLU 69 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1zit h GLU 69 Cb 0.59 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1zit h GLU 69 CO 0.00 0.52 0.00 0.09 -0.73 0.00 0.00 179.01 178.89 1zit n ASN 70 N -4.82 3.40 -2.75 1.04 3.02 -0.78 -4.69 115.26 109.67 1zit n ASN 70 Ca -0.09 -2.42 -0.09 0.00 -0.03 0.00 0.00 54.58 51.96 1zit n ASN 70 Cb 0.31 -0.37 0.07 0.00 -0.61 0.00 0.00 39.78 39.17 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 0.15 -2.56 0.28 6.41 7.64 0.15 -4.94 113.62 120.76 1zit n SER 71 Ca 0.16 -3.49 0.17 0.00 1.01 0.00 0.00 58.87 56.73 1zit n SER 71 Cb 0.63 1.82 0.78 0.00 -1.01 0.00 0.00 64.21 66.44 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 3.51 0.00 -0.82 1.43 0.11 -1.66 -2.54 132.00 132.03 1zit h PRO 72 Ca -0.12 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.51 1zit h PRO 72 Cb 1.06 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 31.91 1zit h PRO 72 CO 0.24 0.03 0.42 -3.47 -0.21 0.00 0.00 178.00 175.01 1zit n ASP 73 N -3.17 4.45 -4.39 -2.05 2.03 -1.26 -4.97 116.55 107.18 1zit n ASP 73 Ca -0.00 -3.71 -0.23 0.00 0.52 0.00 0.00 54.79 51.37 1zit n ASP 73 Cb 0.26 -0.79 -0.00 0.00 -0.72 0.00 0.00 41.12 39.87 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 -1.06 2.54 -4.11 1.67 2.88 -0.96 -4.75 113.62 109.84 1zit n SER 74 Ca 0.53 -2.63 -0.22 0.00 -1.33 0.00 0.00 58.87 55.22 1zit n SER 74 Cb 1.23 -0.01 -0.15 0.00 -0.75 0.00 0.00 64.21 64.53 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 -2.33 1.12 -0.28 2.46 1.01 0.37 -4.96 120.40 117.79 1zit s VAL 75 Ca 0.24 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1zit s VAL 75 Cb -0.02 -0.93 0.08 0.00 0.00 0.00 0.00 36.38 35.51 1zit s VAL 75 CO 0.15 0.32 0.01 -0.69 0.00 0.00 0.00 175.10 174.89 1zit s VAL 76 N -0.30 1.57 -0.17 2.92 1.01 -1.26 0.08 120.40 124.26 1zit s VAL 76 Ca 0.05 -1.58 -0.12 0.00 0.00 0.00 0.00 61.98 60.34 1zit s VAL 76 Cb -0.06 -2.01 -0.22 0.00 0.00 0.00 0.00 36.38 34.09 1zit s VAL 76 CO -0.00 -0.38 0.23 -0.38 0.00 0.00 0.00 175.10 174.57 1zit n ILE 77 N 4.60 1.67 -2.93 2.22 2.08 -1.04 0.39 119.36 126.34 1zit n ILE 77 Ca -0.05 -0.42 -0.02 0.00 0.56 0.00 0.00 62.75 62.82 1zit n ILE 77 Cb 0.43 -1.83 -0.01 0.00 -0.75 0.00 0.00 39.64 37.48 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 -3.83 -6.01 -4.40 1.39 0.31 -1.26 -4.09 118.33 100.44 1zit n VAL 78 Ca -0.34 1.12 -0.29 0.00 -0.01 0.00 0.00 64.34 64.82 1zit n VAL 78 Cb 0.91 -4.34 -0.13 0.00 -0.91 0.00 0.00 33.84 29.38 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 -0.64 2.47 0.30 2.52 1.01 -1.05 -4.34 121.20 121.46 1zit s ILE 79 Ca -0.08 -1.63 0.00 0.00 0.00 0.00 0.00 60.65 58.94 1zit s ILE 79 Cb 0.01 -2.10 0.00 0.00 0.01 0.00 0.00 42.46 40.38 1zit s ILE 79 CO 0.33 0.12 0.00 0.35 0.00 0.00 0.00 174.94 175.74 1zit n THR 80 N 0.95 0.00 -3.79 2.92 -2.24 -1.24 -2.64 114.28 108.24 1zit n THR 80 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1zit n THR 80 Cb 0.53 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 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 -0.35 -1.33 0.16 3.38 0.00 -1.26 -4.56 105.19 101.24 1zit n GLY 81 Ca 0.00 -1.13 0.06 0.00 0.00 0.00 0.00 46.02 44.94 1zit n GLY 81 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1zit h HIS 82 N 0.00 0.00 0.00 1.61 2.07 -1.99 -3.37 115.15 113.47 1zit h HIS 82 Ca 0.00 0.00 -0.45 0.00 -2.85 0.00 0.00 60.37 57.07 1zit h HIS 82 Cb 0.00 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 1zit h HIS 82 CO 0.00 0.32 2.02 0.41 -3.07 0.00 0.00 177.93 177.61 1zit n GLY 83 N 1.19 3.67 0.00 6.13 0.00 -1.26 -3.82 105.19 111.09 1zit n GLY 83 Ca 0.02 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 3.14 0.00 0.21 1.61 2.88 -1.26 -5.02 113.62 115.18 1zit n SER 84 Ca 0.62 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 58.25 1zit n SER 84 Cb 0.51 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 64.42 1zit n SER 84 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 1zit h VAL 85 N 0.00 0.70 0.00 2.46 -1.51 -1.86 -2.76 116.25 113.28 1zit h VAL 85 Ca 0.00 -1.19 0.00 0.00 -1.23 0.00 0.00 66.70 64.28 1zit h VAL 85 Cb 0.00 1.76 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 1zit h VAL 85 CO 0.00 0.27 -0.68 0.44 -1.23 0.00 0.00 177.57 176.36 1zit h ASP 86 N 0.00 0.00 0.57 4.19 5.19 -1.95 -3.28 116.42 121.14 1zit h ASP 86 Ca -0.00 -0.20 -0.28 0.00 -0.62 0.00 0.00 57.03 55.92 1zit h ASP 86 Cb 0.74 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.24 1zit h ASP 86 CO 0.04 0.10 -1.40 0.00 -3.12 0.00 0.00 179.24 174.86 1zit h THR 87 N 0.00 1.30 0.89 0.35 1.03 -1.90 -2.71 112.91 111.87 1zit h THR 87 Ca 0.00 -2.94 -0.04 0.00 -0.01 0.00 0.00 66.41 63.41 1zit h THR 87 Cb 0.77 2.80 0.01 0.00 -1.07 0.00 0.00 68.15 70.66 1zit h THR 87 CO 0.00 0.84 -0.43 0.00 -0.01 0.00 0.00 175.52 175.92 1zit h ALA 88 N 0.61 -1.32 -0.13 0.00 0.00 -1.60 -1.38 119.26 115.45 1zit h ALA 88 Ca -0.19 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.50 1zit h ALA 88 Cb 1.97 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 20.22 1zit h ALA 88 CO 0.16 -1.23 0.10 -0.39 0.00 0.00 0.00 179.25 177.89 1zit h VAL 89 N -1.19 0.85 0.00 0.00 -1.51 -1.70 0.48 116.25 113.17 1zit h VAL 89 Ca -0.12 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 1zit h VAL 89 Cb 0.91 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 31.00 1zit h VAL 89 CO 0.20 0.00 0.00 1.17 -1.23 0.00 0.00 177.57 177.71 1zit n LYS 90 N -4.37 0.62 -0.00 5.19 4.81 -0.97 -2.43 118.16 121.00 1zit n LYS 90 Ca 0.00 0.01 -0.01 0.00 -0.87 0.00 0.00 58.31 57.45 1zit n LYS 90 Cb 0.22 -1.50 -0.00 0.00 0.02 0.00 0.00 35.03 33.77 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 -1.17 1.98 -0.02 3.14 0.00 0.91 -4.57 120.51 120.77 1zit n ALA 91 Ca 0.17 -0.04 -0.15 0.00 0.00 0.00 0.00 53.44 53.42 1zit n ALA 91 Cb 0.17 0.47 -0.10 0.00 0.00 0.00 0.00 19.45 20.00 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 1.46 0.00 0.00 3.07 -0.35 -2.86 117.51 118.83 1zit h ILE 92 Ca -0.02 -1.83 -0.00 0.00 1.55 0.00 0.00 64.86 64.55 1zit h ILE 92 Cb 1.03 2.50 -0.00 0.00 -0.27 0.00 0.00 36.82 40.08 1zit h ILE 92 CO -0.00 0.52 -0.02 0.50 -1.05 0.00 0.00 178.15 178.10 1zit h LYS 93 N -0.26 0.00 0.45 0.16 3.11 -1.68 -2.58 116.57 115.77 1zit h LYS 93 Ca -0.03 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.79 1zit h LYS 93 Cb 1.02 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.25 1zit h LYS 93 CO 0.07 0.02 -0.22 0.87 -2.81 0.00 0.00 179.45 177.38 1zit h LYS 94 N 0.00 -0.59 0.00 1.90 6.56 -1.74 -3.46 116.57 119.24 1zit h LYS 94 Ca -0.00 0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.63 1zit h LYS 94 Cb 0.04 0.13 0.00 0.00 -0.57 0.00 0.00 32.23 31.83 1zit h LYS 94 CO 0.00 -0.39 0.00 0.41 -2.06 0.00 0.00 179.45 177.41 1zit n GLY 95 N -0.22 0.47 0.00 3.86 0.00 -1.13 -5.07 105.19 103.11 1zit n GLY 95 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1zit n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zit n ALA 96 N 0.00 0.00 0.08 4.61 0.00 -0.99 -4.75 120.51 119.46 1zit n ALA 96 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1zit n ALA 96 Cb 0.24 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.55 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 -1.43 0.00 -2.26 0.00 9.36 0.16 -4.85 117.16 118.14 1zit n TYR 97 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1zit n TYR 97 Cb 0.00 -0.36 0.00 0.00 -0.63 0.00 0.00 39.34 38.35 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 -2.04 -0.56 -3.68 2.98 0.28 -1.26 -5.05 120.64 111.32 1zit n GLU 98 Ca -0.03 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.68 1zit n GLU 98 Cb 0.44 0.00 -0.15 0.00 1.43 0.00 0.00 31.44 33.16 1zit n GLU 98 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 1zit s PHE 99 N -2.79 1.45 1.12 -1.84 5.36 -1.26 -4.46 117.98 115.58 1zit s PHE 99 Ca 0.00 -1.65 -0.13 0.00 -0.96 0.00 0.00 56.93 54.19 1zit s PHE 99 Cb 0.00 -1.56 0.26 0.00 -0.34 0.00 0.00 43.02 41.38 1zit s PHE 99 CO 0.00 -0.86 1.05 -1.17 -1.46 0.00 0.00 175.22 172.78 1zit s LEU 100 N 1.55 1.00 -0.35 6.12 2.96 -1.26 -4.97 118.68 123.73 1zit s LEU 100 Ca 0.11 1.38 -0.18 0.00 -0.22 0.00 0.00 54.13 55.22 1zit s LEU 100 Cb -0.18 -3.35 -0.01 0.00 0.50 0.00 0.00 46.19 43.15 1zit s LEU 100 CO -0.23 -3.91 0.49 -1.61 -1.32 0.00 0.00 176.35 169.77 1zit s GLU 101 N -4.63 3.63 0.07 1.98 2.02 -1.26 -4.55 118.70 115.95 1zit s GLU 101 Ca 0.67 -0.19 -0.21 0.00 0.02 0.00 0.00 54.97 55.27 1zit s GLU 101 Cb -0.23 -3.80 -0.12 0.00 0.10 0.00 0.00 34.13 30.08 1zit s GLU 101 CO 0.62 -0.62 1.54 -0.22 0.02 0.00 0.00 175.26 176.61 1zit h LYS 102 N 8.45 0.23 0.00 1.61 3.11 -1.87 -2.79 116.57 125.30 1zit h LYS 102 Ca -0.28 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.50 1zit h LYS 102 Cb 1.13 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.33 1zit h LYS 102 CO 0.76 0.40 0.00 -0.35 -2.81 0.00 0.00 179.45 177.45 1zit n PRO 103 N -4.82 0.20 -0.69 1.90 -0.04 -1.26 -4.75 135.00 125.54 1zit n PRO 103 Ca -0.05 0.15 -0.09 0.00 -0.04 0.00 0.00 63.50 63.47 1zit n PRO 103 Cb 0.17 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.18 1zit n PRO 103 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1zit n PHE 104 N -1.28 -3.87 -2.96 0.54 7.35 -1.05 -5.02 117.46 111.17 1zit n PHE 104 Ca 0.07 -0.39 -0.41 0.00 -0.76 0.00 0.00 57.45 55.96 1zit n PHE 104 Cb 0.11 -0.30 -0.04 0.00 0.35 0.00 0.00 39.48 39.60 1zit n PHE 104 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1zit s SER 105 N -2.44 7.00 0.59 -2.13 0.15 -1.26 -4.93 113.70 110.68 1zit s SER 105 Ca 0.22 1.21 0.39 0.00 0.70 0.00 0.00 55.95 58.48 1zit s SER 105 Cb -0.01 -2.44 2.12 0.00 -1.71 0.00 0.00 66.02 63.98 1zit s SER 105 CO 0.16 -0.24 2.20 1.62 1.20 0.00 0.00 173.24 178.17 1zit h VAL 106 N 4.95 0.00 -0.79 4.45 3.04 -1.91 -2.05 116.25 123.95 1zit h VAL 106 Ca -0.36 -0.02 0.01 0.00 -1.01 0.00 0.00 66.70 65.32 1zit h VAL 106 Cb 1.17 0.91 -0.04 0.00 -2.01 0.00 0.00 31.29 31.32 1zit h VAL 106 CO 0.78 0.00 0.52 -0.08 -1.01 0.00 0.00 177.57 177.78 1zit h GLU 107 N 0.00 1.01 -0.36 4.17 4.81 -2.01 -1.46 114.58 120.74 1zit h GLU 107 Ca 0.00 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1zit h GLU 107 Cb 0.02 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 1zit h GLU 107 CO 0.00 0.67 0.02 -0.09 -0.73 0.00 0.00 179.01 178.88 1zit h ARG 108 N 1.05 0.56 -0.92 1.92 2.43 -1.78 -2.27 114.38 115.36 1zit h ARG 108 Ca 0.30 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1zit h ARG 108 Cb -0.09 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.33 1zit h ARG 108 CO -0.08 0.57 0.57 0.35 -1.51 0.00 0.00 179.97 179.87 1zit h PHE 109 N 0.54 1.20 -0.80 2.20 3.57 -1.36 -1.99 116.94 120.31 1zit h PHE 109 Ca 0.12 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.73 1zit h PHE 109 Cb 0.31 -0.40 -0.06 0.00 2.79 0.00 0.00 35.95 38.60 1zit h PHE 109 CO 0.01 0.79 0.52 -0.07 -2.23 0.00 0.00 178.31 177.33 1zit h LEU 110 N 1.27 0.64 -0.72 0.59 3.38 -0.94 -1.09 115.31 118.44 1zit h LEU 110 Ca 0.33 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1zit h LEU 110 Cb -0.08 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1zit h LEU 110 CO -0.06 0.37 0.45 -0.07 0.09 0.00 0.00 178.44 179.22 1zit h LEU 111 N 0.70 0.84 -0.10 1.67 3.38 -1.36 -2.83 115.31 117.60 1zit h LEU 111 Ca 0.37 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.24 1zit h LEU 111 Cb 0.50 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1zit h LEU 111 CO -0.14 0.63 -0.17 0.74 0.09 0.00 0.00 178.44 179.59 1zit h THR 112 N 0.97 1.38 -0.66 0.22 2.02 -1.28 -3.26 112.91 112.30 1zit h THR 112 Ca 0.26 -1.42 0.08 0.00 0.77 0.00 0.00 66.41 66.10 1zit h THR 112 Cb -0.07 2.07 -0.11 0.00 -1.74 0.00 0.00 68.15 68.30 1zit h THR 112 CO -0.05 0.41 -0.51 0.40 0.37 0.00 0.00 175.52 176.14 1zit h ILE 113 N -0.13 0.03 -0.46 3.11 1.08 -1.08 0.32 117.51 120.38 1zit h ILE 113 Ca 0.01 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.56 1zit h ILE 113 Cb 0.74 0.03 -0.10 0.00 -3.07 0.00 0.00 36.82 34.42 1zit h ILE 113 CO 0.04 0.00 -0.34 0.50 -0.69 0.00 0.00 178.15 177.66 1zit h LYS 114 N -0.21 -0.22 -0.03 2.37 3.11 -1.60 0.57 116.57 120.56 1zit h LYS 114 Ca 0.15 0.02 0.01 0.00 -2.81 0.00 0.00 60.65 58.02 1zit h LYS 114 Cb 0.54 0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 31.82 1zit h LYS 114 CO -0.74 -0.15 0.03 0.45 -2.81 0.00 0.00 179.45 176.22 1zit h HIS 115 N -0.23 0.00 -0.28 1.91 3.86 -1.15 -1.21 115.15 118.04 1zit h HIS 115 Ca 0.19 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.31 1zit h HIS 115 Cb 0.54 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.00 1zit h HIS 115 CO -0.57 0.00 -0.18 0.00 0.86 0.00 0.00 177.93 178.03 1zit h ALA 116 N 1.98 1.16 0.00 2.45 0.00 0.39 -2.35 119.26 122.89 1zit h ALA 116 Ca 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1zit h ALA 116 Cb 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1zit h ALA 116 CO -0.00 0.53 0.00 1.19 0.00 0.00 0.00 179.25 180.97 1zit n PHE 117 N -4.16 0.69 0.33 0.00 3.72 -0.47 -3.19 117.46 114.38 1zit n PHE 117 Ca 0.00 0.24 0.21 0.00 -0.05 0.00 0.00 57.45 57.85 1zit n PHE 117 Cb 0.36 -0.88 1.11 0.00 -0.94 0.00 0.00 39.48 39.13 1zit n PHE 117 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1zit h GLU 118 N 0.00 0.00 -1.38 -1.08 5.08 -1.36 -2.04 114.58 113.79 1zit h GLU 118 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1zit h GLU 118 Cb 0.50 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.53 1zit h GLU 118 CO 0.00 0.00 0.67 0.39 -1.00 0.00 0.00 179.01 179.07 1zit n GLU 119 N -3.16 2.32 -0.96 2.33 1.02 -1.19 -3.98 120.64 117.01 1zit n GLU 119 Ca -0.03 -2.53 -0.06 0.00 -0.02 0.00 0.00 57.16 54.52 1zit n GLU 119 Cb 0.14 -2.01 -0.06 0.00 -0.02 0.00 0.00 31.44 29.49 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 -0.21 0.00 0.74 -0.32 9.36 -0.77 -4.76 117.16 121.19 1zit n TYR 120 Ca 0.48 -0.44 0.09 0.00 3.32 0.00 0.00 57.90 61.34 1zit n TYR 120 Cb 0.58 0.45 0.07 0.00 -0.63 0.00 0.00 39.34 39.81 1zit n TYR 120 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95