#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 -3.47 -3.67 2.12 4.76 -1.26 -4.66 118.16 111.98 1zit n LYS 2 Ca 0.00 2.73 -0.12 0.00 -2.87 0.00 0.00 58.31 58.05 1zit n LYS 2 Cb 0.00 -3.98 -0.12 0.00 -1.84 0.00 0.00 35.03 29.08 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 -0.78 0.21 0.18 1.97 3.00 -1.26 -1.07 118.95 121.19 1zit s ARG 3 Ca -0.20 0.78 0.07 0.00 0.00 0.00 0.00 55.73 56.39 1zit s ARG 3 Cb 0.01 0.03 -0.04 0.00 0.00 0.00 0.00 34.95 34.95 1zit s ARG 3 CO 0.54 -0.25 -0.15 0.08 0.00 0.00 0.00 175.30 175.52 1zit s VAL 4 N 2.24 1.61 -0.01 3.52 1.01 -1.00 -3.84 120.40 123.95 1zit s VAL 4 Ca -0.01 -2.05 0.07 0.00 0.00 0.00 0.00 61.98 59.98 1zit s VAL 4 Cb -0.12 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 1zit s VAL 4 CO -0.10 -0.53 -0.22 -0.22 0.00 0.00 0.00 175.10 174.03 1zit s LEU 5 N -3.02 2.33 0.00 3.92 2.96 0.13 -1.73 118.68 123.27 1zit s LEU 5 Ca 0.18 -0.42 0.08 0.00 -0.22 0.00 0.00 54.13 53.75 1zit s LEU 5 Cb -0.02 -1.41 -0.02 0.00 0.50 0.00 0.00 46.19 45.24 1zit s LEU 5 CO 0.05 0.31 -0.25 -0.69 -1.32 0.00 0.00 176.35 174.45 1zit s VAL 6 N -0.72 1.96 -0.08 1.68 1.01 0.31 0.88 120.40 125.43 1zit s VAL 6 Ca 0.11 -1.15 -0.01 0.00 0.00 0.00 0.00 61.98 60.94 1zit s VAL 6 Cb -0.10 -1.64 0.03 0.00 0.00 0.00 0.00 36.38 34.66 1zit s VAL 6 CO 0.01 0.46 -0.04 -0.69 0.00 0.00 0.00 175.10 174.84 1zit s VAL 7 N -0.66 0.67 0.15 2.92 1.01 0.17 -0.34 120.40 124.32 1zit s VAL 7 Ca 0.10 -0.08 -0.22 0.00 0.00 0.00 0.00 61.98 61.77 1zit s VAL 7 Cb -0.09 -0.75 0.07 0.00 0.00 0.00 0.00 36.38 35.60 1zit s VAL 7 CO 0.00 0.30 0.58 -0.62 0.00 0.00 0.00 175.10 175.36 1zit s ASP 8 N 1.70 -0.53 -0.41 3.32 2.15 -1.25 0.93 116.67 122.58 1zit s ASP 8 Ca 0.02 -0.02 -0.04 0.00 0.43 0.00 0.00 52.55 52.94 1zit s ASP 8 Cb -0.13 0.58 0.03 0.00 -0.30 0.00 0.00 42.92 43.10 1zit s ASP 8 CO -0.05 -0.95 2.87 -0.67 -0.17 0.00 0.00 175.17 176.20 1zit n ASP 9 N -0.33 6.34 -3.74 -0.34 2.03 -1.25 -3.46 116.55 115.79 1zit n ASP 9 Ca -0.17 -3.13 -0.19 0.00 0.52 0.00 0.00 54.79 51.82 1zit n ASP 9 Cb 0.65 -1.25 -0.17 0.00 -0.72 0.00 0.00 41.12 39.62 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 -1.42 0.16 -0.74 -0.67 2.12 -1.26 -4.75 118.70 112.13 1zit s GLU 10 Ca 0.60 0.22 -0.05 0.00 0.36 0.00 0.00 54.97 56.10 1zit s GLU 10 Cb 0.38 -0.56 0.02 0.00 0.26 0.00 0.00 34.13 34.23 1zit s GLU 10 CO -0.20 -0.25 2.80 0.39 -0.54 0.00 0.00 175.26 177.46 1zit n GLU 11 N 4.82 3.11 -1.93 4.30 1.02 -1.26 -3.92 120.64 126.78 1zit n GLU 11 Ca -0.13 -2.47 -0.03 0.00 -0.02 0.00 0.00 57.16 54.51 1zit n GLU 11 Cb 0.50 -2.32 0.05 0.00 -0.02 0.00 0.00 31.44 29.65 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 1.58 -1.02 -1.27 1.62 7.64 -1.26 -5.15 113.62 115.76 1zit n SER 12 Ca 0.55 -1.82 0.15 0.00 1.01 0.00 0.00 58.87 58.76 1zit n SER 12 Cb 0.49 0.44 -0.06 0.00 -1.01 0.00 0.00 64.21 64.07 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 -0.83 -0.14 -2.96 0.44 2.08 -1.25 -4.68 119.36 112.02 1zit n ILE 13 Ca -0.16 0.46 -0.41 0.00 0.56 0.00 0.00 62.75 63.20 1zit n ILE 13 Cb 0.73 -0.86 -0.05 0.00 -0.75 0.00 0.00 39.64 38.72 1zit n ILE 13 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1zit s THR 14 N -3.47 4.91 0.19 1.39 -4.23 -1.26 -4.97 115.64 108.20 1zit s THR 14 Ca 0.00 1.47 -0.33 0.00 -1.18 0.00 0.00 61.69 61.65 1zit s THR 14 Cb 0.00 -4.07 -0.14 0.00 1.34 0.00 0.00 72.50 69.63 1zit s THR 14 CO 0.00 0.01 1.46 -0.24 -0.54 0.00 0.00 174.62 175.31 1zit n SER 15 N 5.47 2.74 0.00 3.99 2.88 -1.26 -1.37 113.62 126.08 1zit n SER 15 Ca 0.03 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 1zit n SER 15 Cb 0.49 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 1zit n SER 15 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1zit n SER 16 N 2.68 0.00 -0.04 -3.46 2.88 -1.26 -4.85 113.62 109.58 1zit n SER 16 Ca 0.14 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.53 1zit n SER 16 Cb 0.29 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.63 1zit n SER 16 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1zit h LEU 17 N 0.00 0.14 -0.08 2.46 -0.00 -1.63 -2.91 115.31 113.28 1zit h LEU 17 Ca 0.00 -0.86 0.04 0.00 -0.00 0.00 0.00 57.88 57.06 1zit h LEU 17 Cb 0.00 -0.04 -0.06 0.00 -0.00 0.00 0.00 40.66 40.56 1zit h LEU 17 CO 0.00 0.98 -0.41 -1.28 -0.00 0.00 0.00 178.44 177.73 1zit h SER 18 N -0.69 -1.27 -0.48 -0.43 0.87 -1.89 0.24 113.55 109.89 1zit h SER 18 Ca -0.03 0.16 0.05 0.00 -1.23 0.00 0.00 61.79 60.75 1zit h SER 18 Cb 1.02 0.51 -0.05 0.00 -0.44 0.00 0.00 62.40 63.45 1zit h SER 18 CO 0.04 -0.43 0.21 0.00 -0.53 0.00 0.00 176.83 176.11 1zit h ALA 19 N 0.09 0.61 -0.29 6.23 0.00 -1.92 0.10 119.26 124.08 1zit h ALA 19 Ca 0.07 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1zit h ALA 19 Cb 0.63 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1zit h ALA 19 CO -0.36 -0.16 0.00 -0.89 0.00 0.00 0.00 179.25 177.83 1zit n ILE 20 N -4.95 0.00 -0.34 0.00 5.41 -0.82 -0.60 119.36 118.07 1zit n ILE 20 Ca 0.04 1.45 0.34 0.00 1.00 0.00 0.00 62.75 65.58 1zit n ILE 20 Cb 0.16 -2.45 0.71 0.00 -0.71 0.00 0.00 39.64 37.35 1zit n ILE 20 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1zit h LEU 21 N 0.00 0.08 -0.59 1.39 3.38 -0.56 1.09 115.31 120.09 1zit h LEU 21 Ca 0.00 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 1zit h LEU 21 Cb 0.00 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1zit h LEU 21 CO 0.00 0.01 -0.70 -0.33 0.09 0.00 0.00 178.44 177.51 1zit h GLU 22 N 0.06 0.04 0.12 1.13 5.08 -0.58 0.32 114.58 120.76 1zit h GLU 22 Ca 0.59 -0.04 -0.30 0.00 -1.00 0.00 0.00 59.36 58.61 1zit h GLU 22 Cb 2.20 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 31.46 1zit h GLU 22 CO -0.06 0.72 -1.46 1.49 -1.00 0.00 0.00 179.01 178.70 1zit h GLU 23 N 0.03 0.26 -0.02 2.33 4.81 0.35 -3.32 114.58 119.01 1zit h GLU 23 Ca -0.01 -0.44 -0.19 0.00 -0.13 0.00 0.00 59.36 58.59 1zit h GLU 23 Cb 1.23 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.77 1zit h GLU 23 CO 0.09 1.14 -0.82 0.93 -0.73 0.00 0.00 179.01 179.63 1zit h GLU 24 N 0.07 0.28 -0.21 1.92 4.39 -0.61 -3.48 114.58 116.94 1zit h GLU 24 Ca -0.21 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1zit h GLU 24 Cb 2.01 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.72 1zit h GLU 24 CO 0.17 0.95 0.00 0.41 -1.16 0.00 0.00 179.01 179.39 1zit n GLY 25 N 0.73 0.88 2.26 -3.84 0.00 -0.15 -5.08 105.19 100.00 1zit n GLY 25 Ca -0.04 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.38 -1.91 -3.72 1.61 4.02 -0.08 -4.77 117.16 111.93 1zit n TYR 26 Ca 0.00 -1.29 -0.28 0.00 -0.01 0.00 0.00 57.90 56.32 1zit n TYR 26 Cb 0.09 -0.30 -0.12 0.00 -0.02 0.00 0.00 39.34 38.99 1zit n TYR 26 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1zit s HIS 27 N -1.31 2.55 -0.01 -0.72 2.46 -0.23 -4.80 115.29 113.22 1zit s HIS 27 Ca 0.28 -2.88 -0.27 0.00 0.47 0.00 0.00 55.06 52.67 1zit s HIS 27 Cb -0.02 -2.04 -0.04 0.00 -0.13 0.00 0.00 32.58 30.35 1zit s HIS 27 CO 0.18 -0.68 0.83 -1.25 -2.47 0.00 0.00 174.74 171.35 1zit s PRO 28 N -0.65 4.51 -0.21 2.88 0.04 -1.25 -2.37 135.00 137.95 1zit s PRO 28 Ca 0.26 1.14 0.01 0.00 0.04 0.00 0.00 61.00 62.46 1zit s PRO 28 Cb -0.06 -3.44 0.03 0.00 0.04 0.00 0.00 34.50 31.07 1zit s PRO 28 CO -0.14 0.06 -0.17 -0.51 0.04 0.00 0.00 177.00 176.29 1zit s ASP 29 N 0.71 3.58 -0.11 6.66 1.01 -0.70 -4.98 116.67 122.83 1zit s ASP 29 Ca 0.44 -0.88 -0.04 0.00 0.71 0.00 0.00 52.55 52.78 1zit s ASP 29 Cb -0.20 -1.51 -0.03 0.00 1.01 0.00 0.00 42.92 42.19 1zit s ASP 29 CO 0.23 -0.06 0.02 0.42 0.21 0.00 0.00 175.17 175.99 1zit s THR 30 N 1.24 4.49 0.00 -1.27 -4.23 -1.26 0.11 115.64 114.73 1zit s THR 30 Ca 0.01 -0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.35 1zit s THR 30 Cb -0.15 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.76 1zit s THR 30 CO -0.10 0.57 0.00 0.00 -0.54 0.00 0.00 174.62 174.55 1zit n ALA 31 N 2.51 0.00 -0.24 3.99 0.00 0.54 -4.95 120.51 122.36 1zit n ALA 31 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1zit n ALA 31 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1zit n ALA 31 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1zit n LYS 32 N -0.31 1.54 -3.66 0.00 5.02 -1.22 -3.86 118.16 115.67 1zit n LYS 32 Ca 0.00 -0.09 -0.02 0.00 -2.02 0.00 0.00 58.31 56.18 1zit n LYS 32 Cb 0.00 -0.42 -0.01 0.00 -0.02 0.00 0.00 35.03 34.58 1zit n LYS 32 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1zit s THR 33 N -0.25 0.00 0.51 -0.18 -4.23 -1.25 -3.97 115.64 106.28 1zit s THR 33 Ca 0.00 -0.36 0.17 0.00 -1.18 0.00 0.00 61.69 60.32 1zit s THR 33 Cb 0.00 -1.77 0.26 0.00 1.34 0.00 0.00 72.50 72.33 1zit s THR 33 CO 0.00 0.00 2.13 -0.07 -0.54 0.00 0.00 174.62 176.14 1zit h LEU 34 N 2.00 0.00 -0.13 4.79 3.38 -1.94 0.14 115.31 123.54 1zit h LEU 34 Ca -0.25 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 1zit h LEU 34 Cb 1.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 1zit h LEU 34 CO 0.27 0.04 -0.19 0.03 0.09 0.00 0.00 178.44 178.67 1zit h ARG 35 N 0.00 0.37 -0.26 1.13 3.08 -1.99 -0.46 114.38 116.24 1zit h ARG 35 Ca -0.00 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.80 1zit h ARG 35 Cb 0.07 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1zit h ARG 35 CO 0.00 0.79 0.03 0.93 -1.07 0.00 0.00 179.97 180.65 1zit h GLU 36 N -0.03 0.38 -0.00 0.04 4.39 -1.71 -2.72 114.58 114.93 1zit h GLU 36 Ca 0.01 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 1zit h GLU 36 Cb 0.75 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1zit h GLU 36 CO 0.04 0.39 -0.00 0.00 -1.16 0.00 0.00 179.01 178.28 1zit h ALA 37 N 1.66 0.00 -0.80 3.43 0.00 -0.87 -2.79 119.26 119.90 1zit h ALA 37 Ca 0.09 -0.29 0.19 0.00 0.00 0.00 0.00 54.91 54.90 1zit h ALA 37 Cb 0.21 -0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.86 1zit h ALA 37 CO 0.00 -0.20 0.09 0.93 0.00 0.00 0.00 179.25 180.07 1zit h GLU 38 N -0.58 0.14 0.38 0.00 5.08 -0.83 0.87 114.58 119.63 1zit h GLU 38 Ca 0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1zit h GLU 38 Cb 0.59 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1zit h GLU 38 CO 0.00 0.09 -0.23 -0.22 -1.00 0.00 0.00 179.01 177.66 1zit h LYS 39 N 0.15 -0.56 -0.02 2.33 3.11 -1.51 1.40 116.57 121.47 1zit h LYS 39 Ca 0.46 0.04 0.01 0.00 -2.81 0.00 0.00 60.65 58.34 1zit h LYS 39 Cb 0.85 0.13 -0.00 0.00 -1.00 0.00 0.00 32.23 32.21 1zit h LYS 39 CO -0.66 -0.37 0.03 0.87 -2.81 0.00 0.00 179.45 176.51 1zit h LYS 40 N -0.58 0.00 0.00 1.90 1.57 -0.49 -0.83 116.57 118.15 1zit h LYS 40 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1zit h LYS 40 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1zit h LYS 40 CO 0.05 0.00 -1.15 -0.89 -0.57 0.00 0.00 179.45 176.88 1zit n ILE 41 N -3.74 0.06 0.82 1.86 5.41 0.27 -2.68 119.36 121.36 1zit n ILE 41 Ca -0.02 -0.18 0.11 0.00 1.00 0.00 0.00 62.75 63.65 1zit n ILE 41 Cb 0.11 0.47 0.49 0.00 -0.71 0.00 0.00 39.64 40.01 1zit n ILE 41 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1zit n LYS 42 N -1.81 0.06 0.09 0.38 0.00 0.47 -4.44 118.16 112.91 1zit n LYS 42 Ca 0.02 0.11 0.00 0.00 0.00 0.00 0.00 58.31 58.44 1zit n LYS 42 Cb 0.41 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.94 1zit n LYS 42 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1zit n GLU 43 N -1.46 0.00 -1.64 1.64 1.02 -1.22 -5.04 120.64 113.93 1zit n GLU 43 Ca 0.06 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.78 1zit n GLU 43 Cb 0.25 -0.09 -0.03 0.00 -0.02 0.00 0.00 31.44 31.54 1zit n GLU 43 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1zit s LEU 44 N -6.51 3.75 -0.84 -4.62 2.01 -1.09 -4.83 118.68 106.54 1zit s LEU 44 Ca 0.00 2.11 -0.19 0.00 0.01 0.00 0.00 54.13 56.06 1zit s LEU 44 Cb 0.00 -3.52 -0.13 0.00 0.01 0.00 0.00 46.19 42.55 1zit s LEU 44 CO 0.00 -1.68 1.98 0.33 1.01 0.00 0.00 176.35 177.99 1zit n PHE 45 N 10.40 1.88 -1.88 0.29 -0.00 -1.26 -4.52 117.46 122.37 1zit n PHE 45 Ca 0.27 -1.90 -0.42 0.00 -0.00 0.00 0.00 57.45 55.39 1zit n PHE 45 Cb 0.44 -1.75 -0.03 0.00 -0.00 0.00 0.00 39.48 38.14 1zit n PHE 45 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.76 176.70 1zit s PHE 46 N 4.62 3.02 -0.07 -5.13 0.08 -1.26 -4.93 117.98 114.31 1zit s PHE 46 Ca 0.54 0.57 -0.23 0.00 0.12 0.00 0.00 56.93 57.93 1zit s PHE 46 Cb 0.14 -3.98 -0.30 0.00 -0.57 0.00 0.00 43.02 38.31 1zit s PHE 46 CO 0.08 -3.63 0.85 -1.00 -0.10 0.00 0.00 175.22 171.42 1zit h PRO 47 N 6.73 0.24 -5.14 0.24 0.14 -1.90 -3.43 132.00 128.89 1zit h PRO 47 Ca -0.43 -0.42 -0.67 0.00 0.14 0.00 0.00 66.00 64.63 1zit h PRO 47 Cb 1.20 0.15 -0.32 0.00 0.14 0.00 0.00 31.00 32.18 1zit h PRO 47 CO 0.92 1.20 -0.82 0.08 0.14 0.00 0.00 178.00 179.52 1zit s VAL 48 N -2.39 2.49 -0.17 1.56 1.01 -1.25 0.14 120.40 121.79 1zit s VAL 48 Ca -0.15 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 60.97 1zit s VAL 48 Cb 0.00 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 1zit s VAL 48 CO 0.80 0.52 -0.03 -0.63 0.00 0.00 0.00 175.10 175.76 1zit s ILE 49 N 1.01 3.91 -0.29 2.22 -1.09 0.12 0.21 121.20 127.28 1zit s ILE 49 Ca -0.02 -0.34 0.03 0.00 -2.23 0.00 0.00 60.65 58.09 1zit s ILE 49 Cb -0.15 -2.73 0.07 0.00 -1.58 0.00 0.00 42.46 38.08 1zit s ILE 49 CO -0.04 0.47 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.41 1zit s VAL 50 N 0.55 2.17 0.33 2.92 1.01 0.25 -0.70 120.40 126.94 1zit s VAL 50 Ca -0.02 -1.88 -0.09 0.00 0.00 0.00 0.00 61.98 59.99 1zit s VAL 50 Cb -0.14 -2.40 -0.06 0.00 0.00 0.00 0.00 36.38 33.77 1zit s VAL 50 CO 0.02 -0.25 0.66 -0.22 0.00 0.00 0.00 175.10 175.32 1zit s LEU 51 N 1.04 3.97 -0.21 3.92 2.96 -1.26 0.42 118.68 129.52 1zit s LEU 51 Ca -0.01 0.95 -0.04 0.00 -0.22 0.00 0.00 54.13 54.81 1zit s LEU 51 Cb -0.20 -3.79 0.10 0.00 0.50 0.00 0.00 46.19 42.80 1zit s LEU 51 CO -0.06 -0.27 0.24 -0.62 -1.32 0.00 0.00 176.35 174.32 1zit s ASP 52 N -3.00 1.36 -1.32 3.68 -1.08 0.27 -2.15 116.67 114.42 1zit s ASP 52 Ca 0.48 -0.25 -0.11 0.00 -0.52 0.00 0.00 52.55 52.15 1zit s ASP 52 Cb -0.11 0.43 0.13 0.00 -1.46 0.00 0.00 42.92 41.92 1zit s ASP 52 CO 0.29 -0.33 1.94 0.52 0.52 0.00 0.00 175.17 178.10 1zit n VAL 53 N 5.32 4.10 0.00 1.11 0.31 -1.26 -4.25 118.33 123.66 1zit n VAL 53 Ca -0.05 -4.05 0.00 0.00 -0.01 0.00 0.00 64.34 60.23 1zit n VAL 53 Cb 0.49 -2.43 0.00 0.00 -0.91 0.00 0.00 33.84 30.99 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 4.66 0.00 -2.81 3.52 -0.00 -1.26 -4.78 117.44 116.77 1zit n TRP 54 Ca 0.43 0.00 -0.10 0.00 -0.00 0.00 0.00 57.50 57.83 1zit n TRP 54 Cb 0.38 0.00 0.06 0.00 -0.00 0.00 0.00 31.31 31.74 1zit n TRP 54 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 177.69 176.36 1zit n MET 55 N -0.47 1.09 0.00 5.87 2.81 -1.26 -5.05 117.12 120.10 1zit n MET 55 Ca 0.00 -2.52 0.00 0.00 -1.81 0.00 0.00 57.70 53.37 1zit n MET 55 Cb 0.00 -0.96 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 1zit n MET 55 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1zit n PRO 56 N -0.02 2.39 -2.32 0.03 -0.05 -1.26 -4.94 135.00 128.83 1zit n PRO 56 Ca 0.08 0.00 -0.00 0.00 -0.05 0.00 0.00 63.50 63.53 1zit n PRO 56 Cb 0.76 0.00 0.05 0.00 -0.05 0.00 0.00 33.50 34.26 1zit n PRO 56 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 1zit n ASP 57 N 0.00 0.53 -3.73 3.54 8.00 -1.26 -5.09 116.55 118.54 1zit n ASP 57 Ca 0.00 -2.06 -0.13 0.00 0.71 0.00 0.00 54.79 53.31 1zit n ASP 57 Cb 0.00 -0.11 -0.14 0.00 -0.02 0.00 0.00 41.12 40.85 1zit n ASP 57 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1zit s GLY 58 N -2.55 -0.09 0.43 0.44 0.00 -1.26 -5.14 107.32 99.16 1zit s GLY 58 Ca 0.22 0.85 -0.26 0.00 0.00 0.00 0.00 44.72 45.53 1zit s GLY 58 CO -0.08 1.20 1.43 1.22 0.00 0.00 0.00 173.10 176.87 1zit n ASP 59 N 4.31 3.38 -0.03 1.64 9.92 -1.26 -4.93 116.55 129.57 1zit n ASP 59 Ca -0.24 1.15 0.05 0.00 -0.53 0.00 0.00 54.79 55.21 1zit n ASP 59 Cb 0.52 -1.60 -0.16 0.00 -0.64 0.00 0.00 41.12 39.24 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 0.57 -1.01 0.21 0.44 0.00 -1.26 -4.40 105.19 99.75 1zit n GLY 60 Ca 0.04 -0.46 -0.01 0.00 0.00 0.00 0.00 46.02 45.59 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 0.73 0.00 1.61 2.07 -1.92 0.98 116.25 119.73 1zit h VAL 61 Ca -0.17 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1zit h VAL 61 Cb 1.38 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1zit h VAL 61 CO 0.01 0.06 0.00 -0.46 0.02 0.00 0.00 177.57 177.19 1zit n ASN 62 N -5.07 0.00 0.06 0.57 6.94 -1.26 -3.25 115.26 113.25 1zit n ASN 62 Ca 0.07 -0.09 -0.17 0.00 -0.02 0.00 0.00 54.58 54.37 1zit n ASN 62 Cb 0.26 -0.27 -0.14 0.00 -2.36 0.00 0.00 39.78 37.27 1zit n ASN 62 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 1zit h PHE 63 N 0.00 0.45 -1.36 -2.53 3.57 -1.01 -3.33 116.94 112.73 1zit h PHE 63 Ca 0.00 -0.33 0.39 0.00 3.53 0.00 0.00 57.97 61.57 1zit h PHE 63 Cb 0.21 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.88 1zit h PHE 63 CO 0.00 1.38 1.05 0.82 -2.23 0.00 0.00 178.31 179.33 1zit h ILE 64 N 0.07 0.23 0.06 1.41 5.03 -1.50 0.12 117.51 122.93 1zit h ILE 64 Ca -0.24 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.49 1zit h ILE 64 Cb 2.01 0.25 0.00 0.00 -3.03 0.00 0.00 36.82 36.06 1zit h ILE 64 CO 0.16 0.00 -0.03 -0.78 -0.68 0.00 0.00 178.15 176.82 1zit h ASP 65 N 0.00 -0.06 -0.92 1.72 1.82 -1.79 -2.47 116.42 114.72 1zit h ASP 65 Ca 0.64 -0.53 0.19 0.00 -0.39 0.00 0.00 57.03 56.94 1zit h ASP 65 Cb 2.73 0.02 -0.11 0.00 0.68 0.00 0.00 39.33 42.65 1zit h ASP 65 CO -0.01 0.53 0.49 0.15 -1.61 0.00 0.00 179.24 178.79 1zit h PHE 66 N -0.69 0.85 0.02 0.28 3.04 -0.95 1.54 116.94 121.02 1zit h PHE 66 Ca -0.01 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 61.98 1zit h PHE 66 Cb 0.59 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 38.86 1zit h PHE 66 CO 0.12 0.13 -0.01 0.82 -2.02 0.00 0.00 178.31 177.36 1zit h ILE 67 N 0.61 1.12 0.00 1.41 5.03 -1.51 -1.66 117.51 122.51 1zit h ILE 67 Ca 0.54 -0.42 0.00 0.00 -0.12 0.00 0.00 64.86 64.86 1zit h ILE 67 Cb 0.87 1.40 0.00 0.00 -3.03 0.00 0.00 36.82 36.07 1zit h ILE 67 CO -0.42 0.11 0.00 0.07 -0.68 0.00 0.00 178.15 177.23 1zit h LYS 68 N -0.20 0.00 0.07 2.37 5.09 -0.66 0.68 116.57 123.92 1zit h LYS 68 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.73 1zit h LYS 68 Cb 0.19 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.52 1zit h LYS 68 CO 0.00 0.00 -0.03 1.49 -2.09 0.00 0.00 179.45 178.82 1zit h GLU 69 N 0.00 -0.09 -0.23 0.07 4.81 0.26 -3.23 114.58 116.17 1zit h GLU 69 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1zit h GLU 69 Cb 0.53 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1zit h GLU 69 CO 0.00 0.47 0.00 0.09 -0.73 0.00 0.00 179.01 178.84 1zit n ASN 70 N -4.83 3.68 -2.72 1.04 3.02 -0.67 -4.70 115.26 110.07 1zit n ASN 70 Ca -0.08 -3.00 -0.08 0.00 -0.03 0.00 0.00 54.58 51.39 1zit n ASN 70 Cb 0.30 -0.52 0.08 0.00 -0.61 0.00 0.00 39.78 39.02 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 -0.60 -2.30 0.09 6.41 7.64 0.24 -4.97 113.62 120.13 1zit n SER 71 Ca 0.20 -3.16 0.12 0.00 1.01 0.00 0.00 58.87 57.04 1zit n SER 71 Cb 0.85 1.69 0.46 0.00 -1.01 0.00 0.00 64.21 66.20 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 0.92 0.17 -0.76 1.43 -0.02 -1.22 -2.91 135.00 132.61 1zit n PRO 72 Ca 0.05 0.25 -0.02 0.00 -2.02 0.00 0.00 63.50 61.76 1zit n PRO 72 Cb 0.68 -1.75 0.24 0.00 -0.02 0.00 0.00 33.50 32.65 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 -2.06 3.46 -2.97 2.55 2.03 -1.26 -5.00 116.55 113.31 1zit n ASP 73 Ca 0.05 -3.42 -0.09 0.00 0.52 0.00 0.00 54.79 51.85 1zit n ASP 73 Cb 0.33 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 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 -0.76 1.49 -4.43 1.67 2.88 -1.15 -4.77 113.62 108.55 1zit n SER 74 Ca 0.33 -1.63 -0.22 0.00 -1.33 0.00 0.00 58.87 56.02 1zit n SER 74 Cb 1.11 -0.03 -0.10 0.00 -0.75 0.00 0.00 64.21 64.44 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 -0.84 1.95 -0.22 2.46 1.01 0.38 -4.94 120.40 120.20 1zit s VAL 75 Ca 0.12 -2.23 -0.04 0.00 0.00 0.00 0.00 61.98 59.82 1zit s VAL 75 Cb -0.01 -2.31 0.08 0.00 0.00 0.00 0.00 36.38 34.14 1zit s VAL 75 CO 0.07 -0.41 0.12 -0.69 0.00 0.00 0.00 175.10 174.19 1zit s VAL 76 N -2.83 -0.10 -0.56 2.92 1.01 -1.24 0.11 120.40 119.72 1zit s VAL 76 Ca 0.28 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.85 1zit s VAL 76 Cb 0.00 -0.76 0.44 0.00 0.00 0.00 0.00 36.38 36.06 1zit s VAL 76 CO 0.12 -0.47 1.73 -0.38 0.00 0.00 0.00 175.10 176.09 1zit n ILE 77 N 5.27 3.22 -1.52 2.22 2.08 0.12 0.05 119.36 130.82 1zit n ILE 77 Ca -0.06 -3.58 -0.34 0.00 0.56 0.00 0.00 62.75 59.33 1zit n ILE 77 Cb 0.46 -1.17 -0.13 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 -0.79 -0.02 0.00 1.39 0.31 -1.26 -4.38 118.33 113.57 1zit n VAL 78 Ca 0.55 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 1zit n VAL 78 Cb 0.71 -1.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.58 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 7.36 0.00 -0.99 2.52 5.41 -0.91 -3.45 119.36 129.29 1zit n ILE 79 Ca 0.58 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.33 1zit n ILE 79 Cb 0.20 -0.39 0.00 0.00 -0.71 0.00 0.00 39.64 38.74 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 -3.53 0.00 1.39 -2.24 -1.26 -4.41 114.28 104.23 1zit n THR 80 Ca 0.00 1.41 0.00 0.00 -2.27 0.00 0.00 64.05 63.19 1zit n THR 80 Cb 0.00 -2.30 0.00 0.00 -2.10 0.00 0.00 70.33 65.93 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 0.02 1.99 5.14 3.38 0.00 -1.26 -4.81 105.19 109.66 1zit n GLY 81 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1zit n GLY 81 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1zit n HIS 82 N 0.00 0.00 0.00 1.61 8.25 -1.26 -3.16 115.22 120.65 1zit n HIS 82 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1zit n HIS 82 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1zit n HIS 82 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1zit n GLY 83 N 0.00 -0.20 2.66 -1.41 0.00 -1.26 -5.10 105.19 99.89 1zit n GLY 83 Ca 0.00 0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 1zit n GLY 83 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1zit s SER 84 N 0.00 3.25 0.20 1.61 0.15 -1.19 -4.92 113.70 112.79 1zit s SER 84 Ca 0.00 -3.45 0.07 0.00 0.70 0.00 0.00 55.95 53.28 1zit s SER 84 Cb 0.00 -1.07 0.09 0.00 -1.71 0.00 0.00 66.02 63.33 1zit s SER 84 CO 0.00 -0.13 1.45 1.62 1.20 0.00 0.00 173.24 177.38 1zit h VAL 85 N 4.54 1.54 0.00 4.45 3.04 -1.98 -3.02 116.25 124.83 1zit h VAL 85 Ca 0.19 -2.64 0.00 0.00 -1.01 0.00 0.00 66.70 63.24 1zit h VAL 85 Cb 0.83 2.43 0.00 0.00 -2.01 0.00 0.00 31.29 32.54 1zit h VAL 85 CO 0.55 0.76 0.00 -0.90 -1.01 0.00 0.00 177.57 176.97 1zit n ASP 86 N -3.63 0.58 0.09 3.17 5.75 -1.26 -2.33 116.55 118.92 1zit n ASP 86 Ca -0.01 0.64 -0.17 0.00 -0.01 0.00 0.00 54.79 55.24 1zit n ASP 86 Cb 0.76 -0.76 -0.14 0.00 -1.03 0.00 0.00 41.12 39.95 1zit n ASP 86 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1zit h THR 87 N 0.00 1.38 0.67 2.12 1.03 -1.94 -2.91 112.91 113.26 1zit h THR 87 Ca 0.00 -2.96 -0.03 0.00 -0.01 0.00 0.00 66.41 63.41 1zit h THR 87 Cb 0.35 2.89 -0.00 0.00 -1.07 0.00 0.00 68.15 70.33 1zit h THR 87 CO 0.00 0.86 -0.38 0.00 -0.01 0.00 0.00 175.52 176.00 1zit h ALA 88 N 0.53 -1.00 -0.06 0.00 0.00 -1.54 -1.76 119.26 115.44 1zit h ALA 88 Ca -0.17 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.55 1zit h ALA 88 Cb 2.00 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 20.23 1zit h ALA 88 CO 0.20 -1.07 0.04 -0.39 0.00 0.00 0.00 179.25 178.03 1zit h VAL 89 N -0.98 0.90 0.00 0.00 -1.51 -1.68 1.00 116.25 113.98 1zit h VAL 89 Ca -0.09 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.38 1zit h VAL 89 Cb 0.78 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 30.91 1zit h VAL 89 CO 0.11 0.00 0.00 1.17 -1.23 0.00 0.00 177.57 177.62 1zit n LYS 90 N -4.42 0.14 -0.02 5.19 4.81 -0.88 -3.84 118.16 119.14 1zit n LYS 90 Ca -0.02 0.23 -0.03 0.00 -0.87 0.00 0.00 58.31 57.62 1zit n LYS 90 Cb 0.15 -1.71 -0.02 0.00 0.02 0.00 0.00 35.03 33.47 1zit n LYS 90 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1zit n ALA 91 N -1.67 1.91 -1.91 3.14 0.00 0.04 -4.84 120.51 117.18 1zit n ALA 91 Ca 0.05 -0.21 -0.29 0.00 0.00 0.00 0.00 53.44 52.99 1zit n ALA 91 Cb 0.32 0.32 0.10 0.00 0.00 0.00 0.00 19.45 20.19 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 -2.09 2.01 0.00 0.00 -4.36 0.32 -3.75 121.20 113.34 1zit s ILE 92 Ca -0.04 -0.02 0.00 0.00 -0.26 0.00 0.00 60.65 60.33 1zit s ILE 92 Cb 0.01 -3.00 0.00 0.00 1.25 0.00 0.00 42.46 40.73 1zit s ILE 92 CO 0.12 0.00 0.00 0.29 0.24 0.00 0.00 174.94 175.59 1zit n LYS 93 N -3.37 0.00 0.31 0.37 4.01 -1.26 -4.49 118.16 113.73 1zit n LYS 93 Ca 0.09 0.00 0.19 0.00 -0.51 0.00 0.00 58.31 58.08 1zit n LYS 93 Cb 0.61 -0.06 1.00 0.00 -0.51 0.00 0.00 35.03 36.06 1zit n LYS 93 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 1zit h LYS 94 N 0.00 0.00 0.00 1.97 3.11 -1.88 -3.43 116.57 116.35 1zit h LYS 94 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1zit h LYS 94 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1zit h LYS 94 CO 0.00 0.02 0.00 0.41 -2.81 0.00 0.00 179.45 177.07 1zit n GLY 95 N -0.89 0.20 3.38 5.01 0.00 -1.26 -5.05 105.19 106.58 1zit n GLY 95 Ca -0.02 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 1zit n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zit s ALA 96 N 0.00 -0.53 -0.35 4.61 0.00 -1.25 -4.81 121.76 119.43 1zit s ALA 96 Ca 0.00 -0.68 0.08 0.00 0.00 0.00 0.00 51.96 51.36 1zit s ALA 96 Cb 0.00 -3.00 0.63 0.00 0.00 0.00 0.00 23.12 20.75 1zit s ALA 96 CO 0.00 -4.32 1.72 0.98 0.00 0.00 0.00 175.76 174.14 1zit n TYR 97 N -5.38 2.15 -0.03 0.00 9.36 0.11 -4.13 117.16 119.23 1zit n TYR 97 Ca 0.10 -1.52 0.00 0.00 3.32 0.00 0.00 57.90 59.81 1zit n TYR 97 Cb 0.59 -0.69 0.00 0.00 -0.63 0.00 0.00 39.34 38.61 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 -0.81 -0.09 -1.94 2.98 0.28 -1.25 -4.88 120.64 114.92 1zit n GLU 98 Ca 0.44 0.07 -0.37 0.00 -0.16 0.00 0.00 57.16 57.14 1zit n GLU 98 Cb 1.35 -0.08 0.04 0.00 1.43 0.00 0.00 31.44 34.18 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 -2.56 2.33 -0.68 -1.84 0.40 -1.26 -4.45 117.98 109.92 1zit s PHE 99 Ca 0.00 1.49 -0.26 0.00 -0.60 0.00 0.00 56.93 57.56 1zit s PHE 99 Cb 0.00 -3.56 0.04 0.00 0.51 0.00 0.00 43.02 40.00 1zit s PHE 99 CO 0.00 -2.42 1.19 -1.17 0.70 0.00 0.00 175.22 173.52 1zit s LEU 100 N -4.02 3.46 0.76 -0.37 1.98 -1.22 -4.98 118.68 114.29 1zit s LEU 100 Ca 0.77 -0.40 -0.15 0.00 -2.89 0.00 0.00 54.13 51.46 1zit s LEU 100 Cb -0.33 -2.69 -0.01 0.00 0.66 0.00 0.00 46.19 43.82 1zit s LEU 100 CO 0.36 -1.67 0.67 -0.62 -1.89 0.00 0.00 176.35 173.21 1zit n GLU 101 N 8.81 0.26 -2.90 1.98 -0.58 -1.26 -4.05 120.64 122.89 1zit n GLU 101 Ca 0.03 0.14 -0.02 0.00 -0.42 0.00 0.00 57.16 56.89 1zit n GLU 101 Cb 0.48 -1.97 0.00 0.00 -0.57 0.00 0.00 31.44 29.38 1zit n GLU 101 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1zit n LYS 102 N -1.33 -1.48 -0.90 3.49 3.00 -1.26 -4.81 118.16 114.87 1zit n LYS 102 Ca 0.11 1.58 -0.28 0.00 -0.00 0.00 0.00 58.31 59.72 1zit n LYS 102 Cb 0.50 -5.46 -0.02 0.00 0.00 0.00 0.00 35.03 30.05 1zit n LYS 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1zit n PRO 103 N -1.37 2.26 0.00 1.64 -0.04 -1.26 -3.36 135.00 132.87 1zit n PRO 103 Ca 0.03 -1.64 0.00 0.00 -0.04 0.00 0.00 63.50 61.85 1zit n PRO 103 Cb 0.48 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 1zit n PRO 103 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1zit n PHE 104 N 4.59 -0.66 -3.66 0.54 3.72 -1.26 -4.79 117.46 115.94 1zit n PHE 104 Ca 0.50 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.53 1zit n PHE 104 Cb 0.19 0.35 -0.06 0.00 -0.94 0.00 0.00 39.48 39.01 1zit n PHE 104 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1zit s SER 105 N -3.38 6.52 -0.02 4.37 1.04 -1.21 -4.98 113.70 116.03 1zit s SER 105 Ca 0.00 0.61 0.21 0.00 0.48 0.00 0.00 55.95 57.25 1zit s SER 105 Cb 0.00 -2.16 -0.29 0.00 0.10 0.00 0.00 66.02 63.67 1zit s SER 105 CO 0.00 0.28 0.65 0.55 0.98 0.00 0.00 173.24 175.70 1zit n VAL 106 N 2.51 0.00 -0.17 5.02 3.14 -1.26 -4.28 118.33 123.30 1zit n VAL 106 Ca -0.16 -0.29 -0.03 0.00 -2.96 0.00 0.00 64.34 60.91 1zit n VAL 106 Cb 0.53 0.43 0.17 0.00 -1.06 0.00 0.00 33.84 33.91 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 0.00 0.91 -0.41 1.45 4.81 -1.94 -1.78 114.58 117.62 1zit h GLU 107 Ca 0.00 -0.17 -0.08 0.00 -0.13 0.00 0.00 59.36 58.98 1zit h GLU 107 Cb 0.78 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 1zit h GLU 107 CO 0.00 0.78 -0.08 0.00 -0.73 0.00 0.00 179.01 178.98 1zit h ARG 108 N 0.88 0.70 -0.73 1.92 3.08 -1.98 -2.24 114.38 116.00 1zit h ARG 108 Ca 0.20 -0.21 0.02 0.00 0.07 0.00 0.00 59.98 60.06 1zit h ARG 108 Cb 0.25 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 1zit h ARG 108 CO -0.01 0.77 0.48 0.35 -1.07 0.00 0.00 179.97 180.49 1zit h PHE 109 N 0.64 0.89 -0.76 3.04 3.57 -1.53 -1.86 116.94 120.93 1zit h PHE 109 Ca 0.12 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.71 1zit h PHE 109 Cb 0.52 -0.30 -0.06 0.00 2.79 0.00 0.00 35.95 38.90 1zit h PHE 109 CO 0.02 0.54 0.44 1.25 -2.23 0.00 0.00 178.31 178.34 1zit h LEU 110 N 0.94 0.67 -0.46 0.59 6.46 -0.93 -1.45 115.31 121.12 1zit h LEU 110 Ca 0.28 0.03 0.06 0.00 -0.12 0.00 0.00 57.88 58.13 1zit h LEU 110 Cb -0.04 -0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 39.73 1zit h LEU 110 CO -0.07 0.42 0.15 -0.07 -0.62 0.00 0.00 178.44 178.25 1zit h LEU 111 N 0.80 0.13 -0.51 2.25 4.07 -1.31 -2.24 115.31 118.48 1zit h LEU 111 Ca 0.34 0.06 -0.08 0.00 0.08 0.00 0.00 57.88 58.28 1zit h LEU 111 Cb 0.22 0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.00 1zit h LEU 111 CO -0.19 0.10 0.00 0.74 -1.08 0.00 0.00 178.44 178.02 1zit h THR 112 N 0.31 1.26 -0.62 0.22 2.02 -1.40 -3.20 112.91 111.50 1zit h THR 112 Ca 0.22 -1.08 0.11 0.00 0.77 0.00 0.00 66.41 66.42 1zit h THR 112 Cb 0.24 0.94 -0.12 0.00 -1.74 0.00 0.00 68.15 67.47 1zit h THR 112 CO -0.24 0.38 -0.35 0.40 0.37 0.00 0.00 175.52 176.08 1zit h ILE 113 N 0.77 0.15 -0.22 3.11 1.08 -0.67 0.62 117.51 122.36 1zit h ILE 113 Ca 0.15 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.66 1zit h ILE 113 Cb 0.52 0.15 -0.07 0.00 -3.07 0.00 0.00 36.82 34.34 1zit h ILE 113 CO 0.03 0.00 -0.48 0.50 -0.69 0.00 0.00 178.15 177.51 1zit h LYS 114 N -0.16 -0.46 -0.03 2.37 3.11 -1.50 0.18 116.57 120.07 1zit h LYS 114 Ca 0.24 0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 58.10 1zit h LYS 114 Cb 0.56 0.11 -0.00 0.00 -1.00 0.00 0.00 32.23 31.89 1zit h LYS 114 CO -0.70 -0.31 -0.02 1.25 -2.81 0.00 0.00 179.45 176.85 1zit h HIS 115 N -0.48 0.05 -0.92 1.91 2.76 -1.32 -2.00 115.15 115.14 1zit h HIS 115 Ca 0.07 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 1zit h HIS 115 Cb 0.64 -0.01 -0.05 0.00 1.55 0.00 0.00 27.41 29.54 1zit h HIS 115 CO -0.57 0.07 0.59 0.00 -1.30 0.00 0.00 177.93 176.72 1zit h ALA 116 N 1.93 1.30 0.00 5.26 0.00 0.32 -0.69 119.26 127.37 1zit h ALA 116 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1zit h ALA 116 Cb 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1zit h ALA 116 CO 0.00 0.63 0.00 0.74 0.00 0.00 0.00 179.25 180.62 1zit h PHE 117 N 1.26 0.00 -0.42 0.00 -1.00 -0.48 -3.07 116.94 113.23 1zit h PHE 117 Ca 0.34 0.00 0.12 0.00 2.81 0.00 0.00 57.97 61.24 1zit h PHE 117 Cb -0.11 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.44 1zit h PHE 117 CO 0.00 0.00 0.48 1.49 -1.61 0.00 0.00 178.31 178.67 1zit h GLU 118 N 0.00 0.00 -1.32 1.51 4.22 -1.11 -0.06 114.58 117.82 1zit h GLU 118 Ca 0.00 0.00 -0.51 0.00 0.08 0.00 0.00 59.36 58.93 1zit h GLU 118 Cb 0.36 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.40 1zit h GLU 118 CO 0.00 0.00 0.65 0.39 -2.18 0.00 0.00 179.01 177.87 1zit n GLU 119 N -3.64 2.27 -1.21 1.92 4.71 -1.16 -3.99 120.64 119.55 1zit n GLU 119 Ca 0.08 -2.46 -0.04 0.00 -0.01 0.00 0.00 57.16 54.72 1zit n GLU 119 Cb 0.65 -1.97 -0.01 0.00 -1.01 0.00 0.00 31.44 29.10 1zit n GLU 119 CO 0.00 0.00 0.00 0.98 0.09 0.00 0.00 177.13 178.20 1zit n TYR 120 N -0.24 -0.36 1.20 -0.32 9.36 -0.03 -4.77 117.16 121.99 1zit n TYR 120 Ca 0.47 -0.55 0.13 0.00 3.32 0.00 0.00 57.90 61.26 1zit n TYR 120 Cb 0.60 0.63 0.27 0.00 -0.63 0.00 0.00 39.34 40.21 1zit n TYR 120 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53