#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 2.55 -0.08 2.12 -0.14 -1.26 -5.03 119.74 117.91 1zit s LYS 2 Ca 0.00 -1.16 -0.04 0.00 -1.36 0.00 0.00 55.97 53.42 1zit s LYS 2 Cb 0.00 -2.94 0.04 0.00 -1.68 0.00 0.00 37.83 33.25 1zit s LYS 2 CO 0.00 -0.48 0.18 1.03 -0.76 0.00 0.00 175.35 175.31 1zit s ARG 3 N 1.22 0.14 0.04 1.68 3.00 -1.26 -0.84 118.95 122.92 1zit s ARG 3 Ca -0.04 0.40 0.09 0.00 0.00 0.00 0.00 55.73 56.18 1zit s ARG 3 Cb -0.18 -0.13 -0.03 0.00 0.00 0.00 0.00 34.95 34.61 1zit s ARG 3 CO -0.05 -0.15 -0.25 0.08 0.00 0.00 0.00 175.30 174.93 1zit s VAL 4 N 1.07 2.00 -0.10 3.52 1.01 -0.92 -3.43 120.40 123.55 1zit s VAL 4 Ca -0.08 -1.31 -0.02 0.00 0.00 0.00 0.00 61.98 60.56 1zit s VAL 4 Cb -0.10 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1zit s VAL 4 CO -0.06 0.34 -0.00 -0.22 0.00 0.00 0.00 175.10 175.15 1zit s LEU 5 N -1.17 3.52 -0.17 3.92 2.96 0.14 -1.74 118.68 126.15 1zit s LEU 5 Ca 0.10 0.09 -0.00 0.00 -0.22 0.00 0.00 54.13 54.10 1zit s LEU 5 Cb -0.10 -1.82 0.00 0.00 0.50 0.00 0.00 46.19 44.78 1zit s LEU 5 CO 0.02 0.33 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.54 1zit s VAL 6 N -0.59 2.67 -0.30 1.68 1.01 0.35 -0.50 120.40 124.71 1zit s VAL 6 Ca 0.10 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 1zit s VAL 6 Cb -0.12 -2.14 0.05 0.00 0.00 0.00 0.00 36.38 34.17 1zit s VAL 6 CO 0.02 0.51 0.00 -0.69 0.00 0.00 0.00 175.10 174.94 1zit s VAL 7 N 0.98 3.05 0.16 2.92 1.01 -0.17 -0.68 120.40 127.67 1zit s VAL 7 Ca -0.02 -1.33 -0.22 0.00 0.00 0.00 0.00 61.98 60.41 1zit s VAL 7 Cb -0.15 -2.74 0.06 0.00 0.00 0.00 0.00 36.38 33.56 1zit s VAL 7 CO -0.03 -0.09 0.57 -0.62 0.00 0.00 0.00 175.10 174.93 1zit s ASP 8 N 1.27 -0.49 -0.38 3.32 2.15 -1.25 0.43 116.67 121.72 1zit s ASP 8 Ca -0.05 -0.10 -0.04 0.00 0.43 0.00 0.00 52.55 52.79 1zit s ASP 8 Cb -0.19 0.58 0.02 0.00 -0.30 0.00 0.00 42.92 43.03 1zit s ASP 8 CO -0.01 -0.97 2.85 -0.67 -0.17 0.00 0.00 175.17 176.20 1zit n ASP 9 N -0.36 6.30 -3.83 -0.34 2.03 -1.02 -3.51 116.55 115.83 1zit n ASP 9 Ca -0.16 -3.10 -0.16 0.00 0.52 0.00 0.00 54.79 51.89 1zit n ASP 9 Cb 0.64 -1.25 0.00 0.00 -0.72 0.00 0.00 41.12 39.80 1zit n ASP 9 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1zit n GLU 10 N 1.07 0.95 -4.69 -0.67 -0.58 -1.26 -4.77 120.64 110.69 1zit n GLU 10 Ca 0.47 -2.19 -0.24 0.00 -0.42 0.00 0.00 57.16 54.77 1zit n GLU 10 Cb 0.60 0.20 -0.16 0.00 -0.57 0.00 0.00 31.44 31.52 1zit n GLU 10 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1zit s GLU 11 N -3.47 1.55 -0.69 3.49 2.12 -1.26 -4.88 118.70 115.56 1zit s GLU 11 Ca 0.22 -0.50 -0.03 0.00 0.36 0.00 0.00 54.97 55.01 1zit s GLU 11 Cb -0.02 -1.36 0.00 0.00 0.26 0.00 0.00 34.13 33.02 1zit s GLU 11 CO 0.14 0.18 0.68 0.45 -0.54 0.00 0.00 175.26 176.17 1zit n SER 12 N 3.26 -7.56 -1.38 -1.70 2.88 -1.26 -4.78 113.62 103.08 1zit n SER 12 Ca -0.19 -0.04 0.17 0.00 -1.33 0.00 0.00 58.87 57.48 1zit n SER 12 Cb 0.53 -4.98 -0.07 0.00 -0.75 0.00 0.00 64.21 58.94 1zit n SER 12 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1zit n ILE 13 N -1.57 -0.28 -3.09 2.46 2.08 -1.26 -4.67 119.36 113.04 1zit n ILE 13 Ca -0.01 0.59 -0.42 0.00 0.56 0.00 0.00 62.75 63.47 1zit n ILE 13 Cb 0.51 -1.04 -0.06 0.00 -0.75 0.00 0.00 39.64 38.30 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 -3.63 4.86 0.16 1.39 -4.23 -1.26 -4.95 115.64 107.97 1zit s THR 14 Ca 0.00 0.61 -0.32 0.00 -1.18 0.00 0.00 61.69 60.80 1zit s THR 14 Cb 0.00 -4.10 -0.17 0.00 1.34 0.00 0.00 72.50 69.57 1zit s THR 14 CO 0.00 -0.35 0.85 -1.20 -0.54 0.00 0.00 174.62 173.38 1zit n SER 15 N 6.11 -0.10 0.00 3.99 7.64 -1.26 -1.04 113.62 128.96 1zit n SER 15 Ca -0.01 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.02 1zit n SER 15 Cb 0.48 -1.04 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 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 1.80 0.00 0.04 6.43 7.64 -1.26 -4.80 113.62 123.47 1zit n SER 16 Ca 0.17 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.92 1zit n SER 16 Cb 0.22 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.33 1zit n SER 16 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1zit h LEU 17 N 0.00 -0.07 -0.14 -3.43 3.38 -1.35 -2.51 115.31 111.18 1zit h LEU 17 Ca 0.00 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.72 1zit h LEU 17 Cb 0.00 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1zit h LEU 17 CO 0.00 0.23 -0.33 -1.28 0.09 0.00 0.00 178.44 177.16 1zit h SER 18 N -0.37 -1.07 -0.93 -0.43 0.87 -1.87 0.44 113.55 110.19 1zit h SER 18 Ca -0.01 0.13 0.17 0.00 -1.23 0.00 0.00 61.79 60.85 1zit h SER 18 Cb 0.33 0.42 -0.10 0.00 -0.44 0.00 0.00 62.40 62.61 1zit h SER 18 CO 0.01 -0.27 0.52 0.00 -0.53 0.00 0.00 176.83 176.57 1zit h ALA 19 N -0.68 1.48 -0.19 6.23 0.00 -1.92 0.14 119.26 124.33 1zit h ALA 19 Ca 0.03 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1zit h ALA 19 Cb 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1zit h ALA 19 CO -0.30 -0.08 0.00 -0.89 0.00 0.00 0.00 179.25 177.99 1zit n ILE 20 N -4.83 0.00 -0.38 0.00 5.41 -0.55 -1.67 119.36 117.35 1zit n ILE 20 Ca 0.20 1.18 0.36 0.00 1.00 0.00 0.00 62.75 65.50 1zit n ILE 20 Cb 0.51 -2.16 0.73 0.00 -0.71 0.00 0.00 39.64 38.01 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 0.06 -0.76 1.39 3.38 -0.06 1.24 115.31 120.56 1zit h LEU 21 Ca 0.00 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 1zit h LEU 21 Cb 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1zit h LEU 21 CO 0.00 0.00 -0.57 -0.33 0.09 0.00 0.00 178.44 177.63 1zit h GLU 22 N 0.05 0.15 0.12 1.13 5.08 -0.67 0.80 114.58 121.23 1zit h GLU 22 Ca 0.63 -0.10 -0.29 0.00 -1.00 0.00 0.00 59.36 58.60 1zit h GLU 22 Cb 2.38 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.64 1zit h GLU 22 CO -0.06 0.68 -1.43 1.49 -1.00 0.00 0.00 179.01 178.69 1zit h GLU 23 N 0.11 0.24 0.00 2.33 4.81 0.23 -3.31 114.58 119.00 1zit h GLU 23 Ca -0.00 -0.42 -0.16 0.00 -0.13 0.00 0.00 59.36 58.65 1zit h GLU 23 Cb 1.04 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 1zit h GLU 23 CO 0.08 1.13 -0.75 0.93 -0.73 0.00 0.00 179.01 179.67 1zit h GLU 24 N 0.07 0.00 -1.33 1.92 4.39 -0.72 -3.48 114.58 115.43 1zit h GLU 24 Ca -0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.50 1zit h GLU 24 Cb 2.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.65 1zit h GLU 24 CO 0.17 0.75 0.00 0.41 -1.16 0.00 0.00 179.01 179.19 1zit n GLY 25 N 0.64 0.51 2.20 -3.84 0.00 0.16 -5.07 105.19 99.80 1zit n GLY 25 Ca -0.01 -0.53 -0.16 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.51 0.02 -3.84 1.61 4.02 -0.53 -4.86 117.16 113.05 1zit n TYR 26 Ca 0.00 -1.74 -0.28 0.00 -0.01 0.00 0.00 57.90 55.87 1zit n TYR 26 Cb 0.22 0.02 -0.12 0.00 -0.02 0.00 0.00 39.34 39.44 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 -2.60 3.26 0.22 -0.72 2.46 -0.02 -4.82 115.29 113.07 1zit s HIS 27 Ca 0.15 -3.21 -0.26 0.00 0.47 0.00 0.00 55.06 52.21 1zit s HIS 27 Cb 0.01 -2.50 -0.09 0.00 -0.13 0.00 0.00 32.58 29.87 1zit s HIS 27 CO 0.11 -0.59 0.84 -1.25 -2.47 0.00 0.00 174.74 171.38 1zit s PRO 28 N -1.22 4.60 -0.01 2.88 0.04 -1.26 -2.16 135.00 137.87 1zit s PRO 28 Ca 0.25 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1zit s PRO 28 Cb -0.05 -3.12 0.01 0.00 0.04 0.00 0.00 34.50 31.38 1zit s PRO 28 CO -0.16 0.48 -0.01 0.34 0.04 0.00 0.00 177.00 177.69 1zit s ASP 29 N -1.32 0.25 -0.07 6.66 -1.08 -0.71 -4.97 116.67 115.42 1zit s ASP 29 Ca 0.41 -0.02 0.05 0.00 -0.52 0.00 0.00 52.55 52.46 1zit s ASP 29 Cb -0.22 -0.08 -0.00 0.00 -1.46 0.00 0.00 42.92 41.16 1zit s ASP 29 CO 0.26 -0.03 -0.22 0.42 0.52 0.00 0.00 175.17 176.12 1zit s THR 30 N 0.36 1.89 0.00 1.71 -4.23 -1.26 0.13 115.64 114.25 1zit s THR 30 Ca -0.03 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.53 1zit s THR 30 Cb -0.06 -1.62 0.00 0.00 1.34 0.00 0.00 72.50 72.16 1zit s THR 30 CO -0.01 0.52 0.00 0.00 -0.54 0.00 0.00 174.62 174.60 1zit n ALA 31 N 3.30 0.00 0.00 3.99 0.00 0.15 -4.89 120.51 123.05 1zit n ALA 31 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1zit n ALA 31 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 0.00 0.00 -3.98 0.00 5.02 -1.23 -4.70 118.16 113.27 1zit n LYS 32 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1zit n LYS 32 Cb 0.00 -0.05 -0.03 0.00 -0.02 0.00 0.00 35.03 34.93 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 -1.18 0.00 0.33 -0.18 -4.23 -1.26 -2.44 115.64 106.69 1zit s THR 33 Ca 0.00 -1.36 0.03 0.00 -1.18 0.00 0.00 61.69 59.18 1zit s THR 33 Cb 0.00 -2.54 0.28 0.00 1.34 0.00 0.00 72.50 71.58 1zit s THR 33 CO 0.00 0.00 1.95 -0.07 -0.54 0.00 0.00 174.62 175.96 1zit h LEU 34 N 2.12 0.79 -0.28 4.79 3.38 -1.96 0.39 115.31 124.53 1zit h LEU 34 Ca -0.28 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 1zit h LEU 34 Cb 1.25 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1zit h LEU 34 CO 0.37 0.53 -0.06 0.03 0.09 0.00 0.00 178.44 179.40 1zit h ARG 35 N 0.91 0.54 -0.43 1.13 3.08 -2.00 -1.64 114.38 115.96 1zit h ARG 35 Ca 0.33 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 60.12 1zit h ARG 35 Cb 0.14 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1zit h ARG 35 CO -0.11 0.74 0.04 1.49 -1.07 0.00 0.00 179.97 181.06 1zit h GLU 36 N 0.30 0.68 0.19 0.04 4.57 -1.69 -2.73 114.58 115.94 1zit h GLU 36 Ca 0.07 -0.15 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1zit h GLU 36 Cb 0.53 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1zit h GLU 36 CO 0.03 0.67 -0.09 0.00 -1.18 0.00 0.00 179.01 178.43 1zit h ALA 37 N 1.40 -0.25 -0.81 2.92 0.00 -0.04 -2.57 119.26 119.92 1zit h ALA 37 Ca 0.14 -0.13 0.18 0.00 0.00 0.00 0.00 54.91 55.10 1zit h ALA 37 Cb 0.34 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.12 1zit h ALA 37 CO 0.01 -0.55 0.29 0.93 0.00 0.00 0.00 179.25 179.93 1zit h GLU 38 N -0.44 0.35 -0.63 0.00 5.08 -1.14 1.12 114.58 118.93 1zit h GLU 38 Ca -0.03 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1zit h GLU 38 Cb 0.34 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 1zit h GLU 38 CO 0.04 0.23 0.33 -0.22 -1.00 0.00 0.00 179.01 178.39 1zit h LYS 39 N 0.36 0.59 -0.10 2.33 3.11 -1.29 0.93 116.57 122.51 1zit h LYS 39 Ca 0.47 -0.04 -0.12 0.00 -2.81 0.00 0.00 60.65 58.15 1zit h LYS 39 Cb 0.83 -0.13 0.01 0.00 -1.00 0.00 0.00 32.23 31.93 1zit h LYS 39 CO -0.50 0.39 -0.43 0.87 -2.81 0.00 0.00 179.45 176.98 1zit h LYS 40 N 0.61 0.46 0.00 1.90 1.57 -0.12 -3.15 116.57 117.83 1zit h LYS 40 Ca 0.29 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1zit h LYS 40 Cb 0.21 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1zit h LYS 40 CO -0.19 1.00 0.00 0.82 -0.57 0.00 0.00 179.45 180.50 1zit h ILE 41 N 0.03 0.00 -0.03 1.86 2.04 0.15 -2.49 117.51 119.07 1zit h ILE 41 Ca -0.03 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.44 1zit h ILE 41 Cb 1.07 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 38.44 1zit h ILE 41 CO 0.09 0.00 0.12 0.50 0.00 0.00 0.00 178.15 178.85 1zit h LYS 42 N 0.00 0.00 0.00 2.37 3.11 0.93 -3.35 116.57 119.63 1zit h LYS 42 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1zit h LYS 42 Cb 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.69 1zit h LYS 42 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 179.45 177.03 1zit n GLU 43 N -3.20 0.00 -1.67 1.90 1.02 -1.12 -5.05 120.64 112.51 1zit n GLU 43 Ca -0.02 0.00 -0.45 0.00 -0.02 0.00 0.00 57.16 56.67 1zit n GLU 43 Cb 0.19 -0.25 -0.03 0.00 -0.02 0.00 0.00 31.44 31.33 1zit n GLU 43 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1zit n LEU 44 N -3.15 3.17 -3.56 -4.62 7.99 -0.95 -4.89 117.00 110.99 1zit n LEU 44 Ca 0.00 1.11 -0.41 0.00 -0.01 0.00 0.00 56.01 56.71 1zit n LEU 44 Cb 0.00 -1.44 0.01 0.00 -0.11 0.00 0.00 43.42 41.89 1zit n LEU 44 CO 0.00 -0.35 1.71 0.33 -1.51 0.00 0.00 177.39 177.57 1zit n PHE 45 N 2.66 2.71 -1.69 -1.77 7.35 -1.26 -4.55 117.46 120.92 1zit n PHE 45 Ca 0.14 -2.62 -0.44 0.00 -0.76 0.00 0.00 57.45 53.77 1zit n PHE 45 Cb 0.30 -1.38 -0.04 0.00 0.35 0.00 0.00 39.48 38.72 1zit n PHE 45 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1zit n PHE 46 N 0.42 2.51 0.17 -5.13 3.72 -1.26 -4.88 117.46 113.01 1zit n PHE 46 Ca 0.52 0.01 0.02 0.00 -0.05 0.00 0.00 57.45 57.94 1zit n PHE 46 Cb 0.26 -2.66 0.28 0.00 -0.94 0.00 0.00 39.48 36.41 1zit n PHE 46 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1zit h PRO 47 N 7.67 0.00 -5.09 -1.08 0.13 -1.95 -3.44 132.00 128.25 1zit h PRO 47 Ca -0.46 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.17 1zit h PRO 47 Cb 1.23 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.06 1zit h PRO 47 CO 0.93 0.48 -0.82 0.08 -0.23 0.00 0.00 178.00 178.45 1zit s VAL 48 N -3.76 1.16 -0.26 1.56 1.01 -1.22 0.12 120.40 119.01 1zit s VAL 48 Ca -0.01 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 1zit s VAL 48 Cb 0.13 -0.99 0.08 0.00 0.00 0.00 0.00 36.38 35.60 1zit s VAL 48 CO 0.73 0.34 0.09 -0.63 0.00 0.00 0.00 175.10 175.62 1zit s ILE 49 N -0.00 0.41 -0.19 2.22 -1.09 0.18 0.28 121.20 123.01 1zit s ILE 49 Ca -0.01 -0.85 -0.09 0.00 -2.23 0.00 0.00 60.65 57.47 1zit s ILE 49 Cb -0.09 -1.18 -0.05 0.00 -1.58 0.00 0.00 42.46 39.56 1zit s ILE 49 CO 0.01 -0.52 0.10 -0.69 -1.23 0.00 0.00 174.94 172.61 1zit s VAL 50 N 1.88 5.11 0.44 2.92 1.01 0.34 -1.97 120.40 130.12 1zit s VAL 50 Ca 0.06 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.11 1zit s VAL 50 Cb -0.17 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 1zit s VAL 50 CO -0.22 0.45 0.68 -0.22 0.00 0.00 0.00 175.10 175.78 1zit s LEU 51 N 0.38 3.70 -0.46 3.92 2.96 -1.09 -1.00 118.68 127.09 1zit s LEU 51 Ca 0.06 0.44 0.07 0.00 -0.22 0.00 0.00 54.13 54.48 1zit s LEU 51 Cb -0.12 -3.32 0.24 0.00 0.50 0.00 0.00 46.19 43.49 1zit s LEU 51 CO -0.01 -0.62 0.78 -0.67 -1.32 0.00 0.00 176.35 174.51 1zit n ASP 52 N -2.08 -1.95 -4.57 3.68 -0.08 0.17 -2.24 116.55 109.47 1zit n ASP 52 Ca 0.00 -3.12 -0.14 0.00 -1.51 0.00 0.00 54.79 50.02 1zit n ASP 52 Cb 0.57 1.07 -0.11 0.00 2.34 0.00 0.00 41.12 44.99 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 1.57 0.00 0.00 5.18 3.14 -1.01 -4.28 118.33 122.93 1zit n VAL 53 Ca 0.13 -0.07 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 1zit n VAL 53 Cb 0.60 -1.98 0.00 0.00 -1.06 0.00 0.00 33.84 31.40 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 19.82 0.00 0.10 1.45 -0.00 -1.26 -3.76 117.44 133.79 1zit n TRP 54 Ca 0.41 0.00 -0.13 0.00 -0.00 0.00 0.00 57.50 57.78 1zit n TRP 54 Cb 0.47 0.00 -0.08 0.00 -0.00 0.00 0.00 31.31 31.69 1zit n TRP 54 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 177.69 178.21 1zit h MET 55 N 0.00 -0.22 0.00 5.87 2.86 -1.86 -3.45 114.93 118.13 1zit h MET 55 Ca 0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1zit h MET 55 Cb 0.00 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1zit h MET 55 CO 0.00 0.02 0.00 -0.35 1.06 0.00 0.00 176.91 177.64 1zit n PRO 56 N -5.09 -1.21 -0.01 -0.22 -0.04 -1.26 -5.02 135.00 122.15 1zit n PRO 56 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1zit n PRO 56 Cb 0.19 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.62 1zit n PRO 56 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1zit n ASP 57 N -2.76 4.23 0.00 3.54 9.92 -1.26 -4.93 116.55 125.28 1zit n ASP 57 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1zit n ASP 57 Cb 0.00 0.92 0.00 0.00 -0.64 0.00 0.00 41.12 41.40 1zit n ASP 57 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1zit n GLY 58 N 2.51 0.26 2.58 0.44 0.00 -1.26 -4.74 105.19 104.99 1zit n GLY 58 Ca -0.02 0.70 -0.11 0.00 0.00 0.00 0.00 46.02 46.58 1zit n GLY 58 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1zit n ASP 59 N 2.95 -3.20 -3.97 1.61 -0.08 -1.26 -4.83 116.55 107.77 1zit n ASP 59 Ca 0.00 0.18 -0.43 0.00 -1.51 0.00 0.00 54.79 53.04 1zit n ASP 59 Cb 0.00 -2.75 0.00 0.00 2.34 0.00 0.00 41.12 40.71 1zit n ASP 59 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1zit n GLY 60 N -0.78 4.30 0.37 0.27 0.00 -1.26 -4.75 105.19 103.34 1zit n GLY 60 Ca -0.09 -1.90 0.02 0.00 0.00 0.00 0.00 46.02 44.04 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 4.08 1.13 0.00 1.61 2.07 -1.88 0.39 116.25 123.65 1zit h VAL 61 Ca 0.44 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1zit h VAL 61 Cb 0.69 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1zit h VAL 61 CO 1.63 0.22 0.00 -0.46 0.02 0.00 0.00 177.57 178.98 1zit n ASN 62 N -4.46 0.28 -0.16 0.57 0.23 -1.26 -3.43 115.26 107.02 1zit n ASN 62 Ca 0.14 0.55 -0.09 0.00 -0.53 0.00 0.00 54.58 54.65 1zit n ASN 62 Cb 0.14 -0.61 0.00 0.00 -2.08 0.00 0.00 39.78 37.22 1zit n ASN 62 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1zit h PHE 63 N 0.00 0.75 -1.00 -2.53 3.57 -1.29 -2.62 116.94 113.82 1zit h PHE 63 Ca 0.00 -0.08 0.29 0.00 3.53 0.00 0.00 57.97 61.71 1zit h PHE 63 Cb 0.44 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 1zit h PHE 63 CO 0.00 0.68 0.81 0.82 -2.23 0.00 0.00 178.31 178.39 1zit h ILE 64 N 0.61 0.35 0.01 1.41 5.03 -1.64 0.97 117.51 124.25 1zit h ILE 64 Ca 0.14 0.00 -0.19 0.00 -0.12 0.00 0.00 64.86 64.69 1zit h ILE 64 Cb 0.30 0.41 -0.02 0.00 -3.03 0.00 0.00 36.82 34.48 1zit h ILE 64 CO -0.00 0.00 -0.91 -0.78 -0.68 0.00 0.00 178.15 175.78 1zit h ASP 65 N 0.00 0.08 -0.40 1.72 1.82 -1.69 -3.01 116.42 114.93 1zit h ASP 65 Ca 0.48 -0.07 -0.03 0.00 -0.39 0.00 0.00 57.03 57.02 1zit h ASP 65 Cb 2.09 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 42.06 1zit h ASP 65 CO -0.01 0.94 0.14 0.15 -1.61 0.00 0.00 179.24 178.86 1zit h PHE 66 N 0.03 0.64 -0.60 0.28 3.04 0.98 1.11 116.94 122.42 1zit h PHE 66 Ca -0.02 -0.06 -0.01 0.00 3.98 0.00 0.00 57.97 61.86 1zit h PHE 66 Cb 1.58 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 39.88 1zit h PHE 66 CO 0.01 0.58 0.34 0.82 -2.02 0.00 0.00 178.31 178.05 1zit h ILE 67 N 0.51 1.18 0.00 1.41 5.03 -1.50 -1.98 117.51 122.17 1zit h ILE 67 Ca 0.13 -0.44 -0.05 0.00 -0.12 0.00 0.00 64.86 64.39 1zit h ILE 67 Cb 0.23 0.39 -0.01 0.00 -3.03 0.00 0.00 36.82 34.41 1zit h ILE 67 CO -0.01 0.19 -0.23 0.07 -0.68 0.00 0.00 178.15 177.50 1zit h LYS 68 N 0.80 0.00 -0.81 2.37 5.09 -1.36 0.93 116.57 123.60 1zit h LYS 68 Ca 0.21 0.00 -0.04 0.00 0.09 0.00 0.00 60.65 60.91 1zit h LYS 68 Cb 0.01 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 32.30 1zit h LYS 68 CO -0.04 0.23 0.35 1.49 -2.09 0.00 0.00 179.45 179.39 1zit h GLU 69 N 0.00 1.19 0.00 0.07 4.81 0.20 -2.96 114.58 117.90 1zit h GLU 69 Ca -0.00 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1zit h GLU 69 Cb 1.09 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.27 1zit h GLU 69 CO 0.03 0.95 -0.05 0.09 -0.73 0.00 0.00 179.01 179.30 1zit n ASN 70 N -4.29 1.81 -2.70 1.04 3.02 -0.94 -4.86 115.26 108.35 1zit n ASN 70 Ca 0.08 -2.43 -0.06 0.00 -0.03 0.00 0.00 54.58 52.14 1zit n ASN 70 Cb 0.17 -0.22 0.06 0.00 -0.61 0.00 0.00 39.78 39.18 1zit n ASN 70 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1zit n SER 71 N -0.85 -1.96 -0.03 6.41 2.88 0.32 -5.00 113.62 115.38 1zit n SER 71 Ca 0.07 -2.30 0.14 0.00 -1.33 0.00 0.00 58.87 55.46 1zit n SER 71 Cb 0.50 1.15 0.59 0.00 -0.75 0.00 0.00 64.21 65.70 1zit n SER 71 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1zit n PRO 72 N 1.71 0.27 0.00 -1.46 -0.05 -1.12 -3.33 135.00 131.02 1zit n PRO 72 Ca 0.06 -0.06 0.11 0.00 -0.05 0.00 0.00 63.50 63.55 1zit n PRO 72 Cb 0.67 -1.50 0.03 0.00 -0.05 0.00 0.00 33.50 32.65 1zit n PRO 72 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 1zit n ASP 73 N -1.31 2.30 -2.08 3.54 -0.08 -1.26 -4.97 116.55 112.69 1zit n ASP 73 Ca 0.10 -1.65 -0.01 0.00 -1.51 0.00 0.00 54.79 51.72 1zit n ASP 73 Cb 0.30 0.31 0.00 0.00 2.34 0.00 0.00 41.12 44.07 1zit n ASP 73 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1zit n SER 74 N 0.44 0.03 -4.22 1.67 3.41 -1.21 -4.60 113.62 109.14 1zit n SER 74 Ca 0.10 -1.03 -0.22 0.00 -0.26 0.00 0.00 58.87 57.46 1zit n SER 74 Cb 0.49 -0.02 -0.13 0.00 -0.26 0.00 0.00 64.21 64.29 1zit n SER 74 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1zit s VAL 75 N -0.16 1.43 -0.32 -3.33 1.01 0.33 -4.94 120.40 114.42 1zit s VAL 75 Ca 0.02 -1.28 0.01 0.00 0.00 0.00 0.00 61.98 60.74 1zit s VAL 75 Cb -0.00 -1.30 0.10 0.00 0.00 0.00 0.00 36.38 35.18 1zit s VAL 75 CO 0.01 -0.01 0.07 -0.69 0.00 0.00 0.00 175.10 174.48 1zit s VAL 76 N -1.02 1.49 -1.05 2.92 1.01 -1.26 0.51 120.40 123.00 1zit s VAL 76 Ca 0.04 -1.79 -0.04 0.00 0.00 0.00 0.00 61.98 60.19 1zit s VAL 76 Cb -0.09 -2.10 0.30 0.00 0.00 0.00 0.00 36.38 34.49 1zit s VAL 76 CO 0.02 -0.62 1.36 -0.38 0.00 0.00 0.00 175.10 175.49 1zit n ILE 77 N 4.59 4.97 -2.09 2.22 2.08 -0.83 -0.70 119.36 129.59 1zit n ILE 77 Ca 0.00 -5.79 -0.42 0.00 0.56 0.00 0.00 62.75 57.11 1zit n ILE 77 Cb 0.42 -2.17 -0.03 0.00 -0.75 0.00 0.00 39.64 37.12 1zit n ILE 77 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1zit s VAL 78 N -2.51 2.92 0.29 1.39 1.01 -1.26 -2.67 120.40 119.57 1zit s VAL 78 Ca 0.31 0.73 0.01 0.00 0.00 0.00 0.00 61.98 63.04 1zit s VAL 78 Cb 0.03 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 1zit s VAL 78 CO 0.06 0.10 0.29 -0.63 0.00 0.00 0.00 175.10 174.92 1zit s ILE 79 N 0.37 0.00 0.01 2.22 1.01 -0.95 -3.57 121.20 120.30 1zit s ILE 79 Ca 0.61 -1.88 0.00 0.00 0.00 0.00 0.00 60.65 59.38 1zit s ILE 79 Cb -0.40 -2.51 0.00 0.00 0.01 0.00 0.00 42.46 39.57 1zit s ILE 79 CO 0.38 0.00 0.00 0.41 0.00 0.00 0.00 174.94 175.73 1zit n THR 80 N -0.49 -0.18 0.00 2.92 -1.04 -1.26 -2.41 114.28 111.82 1zit n THR 80 Ca 0.04 0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1zit n THR 80 Cb 0.63 -0.06 0.00 0.00 -1.82 0.00 0.00 70.33 69.08 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 -1.47 -1.54 3.58 3.41 0.00 -1.25 -4.55 105.19 103.38 1zit n GLY 81 Ca 0.00 0.78 -0.44 0.00 0.00 0.00 0.00 46.02 46.36 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 1.93 -3.50 1.61 8.25 -1.26 -2.80 115.22 119.45 1zit n HIS 82 Ca 0.00 -0.08 -0.25 0.00 -0.26 0.00 0.00 57.72 57.13 1zit n HIS 82 Cb 0.00 -2.70 0.05 0.00 1.12 0.00 0.00 29.99 28.46 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 5.84 -1.05 3.15 -1.41 0.00 -1.26 -5.00 105.19 105.46 1zit n GLY 83 Ca 0.31 0.51 0.05 0.00 0.00 0.00 0.00 46.02 46.89 1zit n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1zit s SER 84 N -3.45 -1.00 -0.34 1.61 0.01 -1.12 -5.03 113.70 104.38 1zit s SER 84 Ca 0.46 0.19 0.07 0.00 1.31 0.00 0.00 55.95 57.98 1zit s SER 84 Cb -0.12 1.66 0.54 0.00 0.21 0.00 0.00 66.02 68.31 1zit s SER 84 CO 0.81 -0.18 1.58 0.55 0.41 0.00 0.00 173.24 176.41 1zit n VAL 85 N 5.30 2.74 -0.03 3.43 3.14 -1.26 -4.47 118.33 127.18 1zit n VAL 85 Ca 0.05 -2.63 -0.03 0.00 -2.96 0.00 0.00 64.34 58.77 1zit n VAL 85 Cb 0.55 -0.41 -0.03 0.00 -1.06 0.00 0.00 33.84 32.89 1zit n VAL 85 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1zit n ASP 86 N -1.12 3.74 0.18 6.55 5.75 -1.26 -4.54 116.55 125.86 1zit n ASP 86 Ca 0.41 -0.01 0.06 0.00 -0.01 0.00 0.00 54.79 55.24 1zit n ASP 86 Cb 1.17 0.31 0.55 0.00 -1.03 0.00 0.00 41.12 42.12 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 1.06 0.92 2.12 1.03 -1.93 0.28 112.91 116.39 1zit h THR 87 Ca -0.13 -0.19 -0.04 0.00 -0.01 0.00 0.00 66.41 66.04 1zit h THR 87 Cb 1.25 0.95 0.01 0.00 -1.07 0.00 0.00 68.15 69.28 1zit h THR 87 CO -0.00 0.07 -0.44 0.00 -0.01 0.00 0.00 175.52 175.13 1zit h ALA 88 N 1.89 -1.23 0.00 0.00 0.00 -1.84 -2.52 119.26 115.56 1zit h ALA 88 Ca 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1zit h ALA 88 Cb 0.06 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1zit h ALA 88 CO -0.00 -1.16 -0.05 -0.39 0.00 0.00 0.00 179.25 177.65 1zit h VAL 89 N -1.30 0.37 -0.57 0.00 -1.51 -1.72 0.39 116.25 111.91 1zit h VAL 89 Ca -0.13 -0.25 -0.25 0.00 -1.23 0.00 0.00 66.70 64.84 1zit h VAL 89 Cb 0.95 1.18 -0.15 0.00 -2.13 0.00 0.00 31.29 31.13 1zit h VAL 89 CO 0.21 0.04 0.32 1.17 -1.23 0.00 0.00 177.57 178.08 1zit n LYS 90 N -3.51 2.20 0.00 5.19 4.81 0.06 -3.84 118.16 123.06 1zit n LYS 90 Ca -0.02 -1.94 0.00 0.00 -0.87 0.00 0.00 58.31 55.48 1zit n LYS 90 Cb 0.16 -1.81 0.00 0.00 0.02 0.00 0.00 35.03 33.40 1zit n LYS 90 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1zit n ALA 91 N -0.33 0.58 0.26 3.14 0.00 -0.44 -4.61 120.51 119.12 1zit n ALA 91 Ca 0.33 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.92 1zit n ALA 91 Cb 1.16 0.00 0.66 0.00 0.00 0.00 0.00 19.45 21.27 1zit n ALA 91 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1zit h ILE 92 N 0.00 0.26 -0.75 0.00 3.07 -0.44 -2.57 117.51 117.08 1zit h ILE 92 Ca 0.00 -0.67 -0.30 0.00 1.55 0.00 0.00 64.86 65.44 1zit h ILE 92 Cb 0.00 1.53 -0.18 0.00 -0.27 0.00 0.00 36.82 37.91 1zit h ILE 92 CO 0.00 0.09 0.37 1.17 -1.05 0.00 0.00 178.15 178.73 1zit n LYS 93 N -3.26 2.93 0.00 0.16 4.81 -1.25 -3.90 118.16 117.64 1zit n LYS 93 Ca -0.00 -2.69 0.00 0.00 -0.87 0.00 0.00 58.31 54.75 1zit n LYS 93 Cb 0.32 -2.09 0.00 0.00 0.02 0.00 0.00 35.03 33.28 1zit n LYS 93 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1zit n LYS 94 N -0.42 0.59 0.00 1.64 4.81 -0.97 -4.98 118.16 118.83 1zit n LYS 94 Ca 0.43 -0.63 0.00 0.00 -0.87 0.00 0.00 58.31 57.24 1zit n LYS 94 Cb 1.38 -0.65 0.00 0.00 0.02 0.00 0.00 35.03 35.77 1zit n LYS 94 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1zit n GLY 95 N -0.11 1.25 2.39 3.14 0.00 -1.25 -4.76 105.19 105.84 1zit n GLY 95 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.89 -1.51 4.61 0.00 -1.21 -4.68 120.51 113.84 1zit n ALA 96 Ca 0.00 -1.15 0.02 0.00 0.00 0.00 0.00 53.44 52.31 1zit n ALA 96 Cb 0.00 -0.10 0.20 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 -5.10 0.42 0.00 0.00 9.36 0.12 -4.87 117.16 117.09 1zit n TYR 97 Ca 0.10 -1.50 0.00 0.00 3.32 0.00 0.00 57.90 59.83 1zit n TYR 97 Cb 0.45 -0.34 0.00 0.00 -0.63 0.00 0.00 39.34 38.82 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 -1.13 0.00 -3.05 2.98 0.28 -1.26 -4.88 120.64 113.58 1zit n GLU 98 Ca 0.24 0.00 -0.44 0.00 -0.16 0.00 0.00 57.16 56.81 1zit n GLU 98 Cb 0.82 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.64 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 -3.04 2.94 0.95 -1.84 0.40 -1.26 -4.21 117.98 111.93 1zit s PHE 99 Ca 0.00 -0.51 -0.11 0.00 -0.60 0.00 0.00 56.93 55.71 1zit s PHE 99 Cb 0.00 -3.82 0.13 0.00 0.51 0.00 0.00 43.02 39.84 1zit s PHE 99 CO 0.00 -1.22 0.93 -0.11 0.70 0.00 0.00 175.22 175.52 1zit n LEU 100 N 6.65 1.99 0.00 -0.37 7.94 -1.23 -5.00 117.00 126.97 1zit n LEU 100 Ca -0.05 0.34 0.00 0.00 -1.11 0.00 0.00 56.01 55.19 1zit n LEU 100 Cb 0.45 -1.39 0.00 0.00 0.53 0.00 0.00 43.42 43.02 1zit n LEU 100 CO 0.58 -2.62 0.00 -0.62 -1.11 0.00 0.00 177.39 173.61 1zit n GLU 101 N -3.65 0.00 -2.65 1.96 1.02 -1.26 -4.62 120.64 111.43 1zit n GLU 101 Ca 0.10 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.21 1zit n GLU 101 Cb 0.53 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.96 1zit n GLU 101 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1zit n LYS 102 N 0.00 0.06 -0.73 3.49 -0.00 -1.26 -4.49 118.16 115.24 1zit n LYS 102 Ca 0.00 -0.57 -0.32 0.00 -0.00 0.00 0.00 58.31 57.42 1zit n LYS 102 Cb 0.00 -0.02 0.15 0.00 -0.00 0.00 0.00 35.03 35.16 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 -0.25 -0.39 -0.07 -1.58 -0.04 -1.26 -4.98 135.00 126.44 1zit n PRO 103 Ca -0.24 -0.06 -0.10 0.00 -0.04 0.00 0.00 63.50 63.06 1zit n PRO 103 Cb 0.66 -2.17 -0.09 0.00 -0.04 0.00 0.00 33.50 31.86 1zit n PRO 103 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1zit h PHE 104 N -1.76 0.00 -0.43 0.54 3.04 -2.02 -3.35 116.94 112.97 1zit h PHE 104 Ca -0.43 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.52 1zit h PHE 104 Cb 1.28 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.79 1zit h PHE 104 CO 0.46 0.70 0.00 0.45 -2.02 0.00 0.00 178.31 177.90 1zit n SER 105 N -4.65 2.98 -0.44 0.41 2.88 -1.26 -4.92 113.62 108.62 1zit n SER 105 Ca -0.08 -1.94 -0.06 0.00 -1.33 0.00 0.00 58.87 55.46 1zit n SER 105 Cb 0.34 -0.28 -0.02 0.00 -0.75 0.00 0.00 64.21 63.50 1zit n SER 105 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1zit n VAL 106 N 1.15 0.00 -0.25 2.46 0.24 -1.26 -4.64 118.33 116.03 1zit n VAL 106 Ca 0.19 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.54 1zit n VAL 106 Cb 0.51 -1.22 0.18 0.00 -1.47 0.00 0.00 33.84 31.84 1zit n VAL 106 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1zit h GLU 107 N 0.04 0.26 -0.39 7.34 4.81 -1.92 0.40 114.58 125.11 1zit h GLU 107 Ca -0.12 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.00 1zit h GLU 107 Cb 1.04 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.35 1zit h GLU 107 CO 0.17 0.17 -0.14 -0.09 -0.73 0.00 0.00 179.01 178.39 1zit h ARG 108 N 0.27 0.72 -0.01 1.92 9.65 -1.99 -2.17 114.38 122.76 1zit h ARG 108 Ca 0.42 -0.24 0.00 0.00 -1.10 0.00 0.00 59.98 59.06 1zit h ARG 108 Cb 0.71 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 29.23 1zit h ARG 108 CO -0.51 0.82 0.01 0.35 2.80 0.00 0.00 179.97 183.44 1zit h PHE 109 N 0.65 0.00 -0.58 2.20 3.57 -0.66 -2.12 116.94 120.00 1zit h PHE 109 Ca 0.11 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1zit h PHE 109 Cb 0.60 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 1zit h PHE 109 CO 0.03 0.00 0.38 1.25 -2.23 0.00 0.00 178.31 177.74 1zit h LEU 110 N 0.00 0.67 0.21 0.59 6.46 -0.42 -2.52 115.31 120.29 1zit h LEU 110 Ca 0.01 -0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.76 1zit h LEU 110 Cb 0.03 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 39.76 1zit h LEU 110 CO -0.00 0.49 -0.37 -0.07 -0.62 0.00 0.00 178.44 177.87 1zit h LEU 111 N 0.78 -1.05 0.16 2.25 4.07 -1.47 -3.04 115.31 117.01 1zit h LEU 111 Ca 0.21 0.11 0.01 0.00 0.08 0.00 0.00 57.88 58.29 1zit h LEU 111 Cb -0.08 0.38 -0.05 0.00 1.08 0.00 0.00 40.66 41.99 1zit h LEU 111 CO -0.04 -0.47 -0.51 0.74 -1.08 0.00 0.00 178.44 177.07 1zit h THR 112 N -0.65 0.03 -0.29 0.22 2.02 -1.60 -2.88 112.91 109.75 1zit h THR 112 Ca 0.01 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1zit h THR 112 Cb 0.65 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 1zit h THR 112 CO -0.16 0.00 -0.17 -0.38 0.37 0.00 0.00 175.52 175.17 1zit n ILE 113 N -5.49 -0.20 -0.01 3.11 2.08 -0.96 0.14 119.36 118.03 1zit n ILE 113 Ca -0.09 1.10 -0.13 0.00 0.56 0.00 0.00 62.75 64.19 1zit n ILE 113 Cb 0.41 -1.40 -0.07 0.00 -0.75 0.00 0.00 39.64 37.84 1zit n ILE 113 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 1zit h LYS 114 N 0.00 -0.50 -0.55 0.38 3.11 -1.50 0.56 116.57 118.06 1zit h LYS 114 Ca 0.05 0.03 0.16 0.00 -2.81 0.00 0.00 60.65 58.08 1zit h LYS 114 Cb 0.12 0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 31.44 1zit h LYS 114 CO -0.28 -0.34 0.50 0.45 -2.81 0.00 0.00 179.45 176.98 1zit h HIS 115 N -0.52 0.00 -0.10 1.91 3.86 0.59 0.23 115.15 121.12 1zit h HIS 115 Ca 0.06 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.08 1zit h HIS 115 Cb 0.65 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.12 1zit h HIS 115 CO -0.53 0.00 -0.74 0.00 0.86 0.00 0.00 177.93 177.52 1zit h ALA 116 N 1.52 0.51 0.00 2.45 0.00 0.65 -2.97 119.26 121.42 1zit h ALA 116 Ca 0.26 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1zit h ALA 116 Cb 1.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1zit h ALA 116 CO -0.00 0.74 0.00 1.19 0.00 0.00 0.00 179.25 181.17 1zit n PHE 117 N -3.87 0.83 0.34 0.00 3.01 0.81 -2.58 117.46 115.99 1zit n PHE 117 Ca -0.05 0.36 0.20 0.00 1.01 0.00 0.00 57.45 58.96 1zit n PHE 117 Cb 0.72 -1.07 1.08 0.00 -0.01 0.00 0.00 39.48 40.19 1zit n PHE 117 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1zit h GLU 118 N 0.00 0.00 -1.67 -1.08 4.81 -1.37 -2.38 114.58 112.89 1zit h GLU 118 Ca 0.00 0.00 -0.46 0.00 -0.13 0.00 0.00 59.36 58.77 1zit h GLU 118 Cb 0.26 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 29.46 1zit h GLU 118 CO 0.00 0.00 0.50 0.39 -0.73 0.00 0.00 179.01 179.17 1zit n GLU 119 N -3.03 2.19 -0.33 1.92 1.02 -1.06 -3.87 120.64 117.48 1zit n GLU 119 Ca -0.03 -2.17 0.00 0.00 -0.02 0.00 0.00 57.16 54.94 1zit n GLU 119 Cb 0.18 -1.93 0.00 0.00 -0.02 0.00 0.00 31.44 29.67 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 0.36 0.00 0.50 -0.32 9.36 -0.90 -4.69 117.16 121.47 1zit n TYR 120 Ca 0.42 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.71 1zit n TYR 120 Cb 0.56 -0.03 0.05 0.00 -0.63 0.00 0.00 39.34 39.29 1zit n TYR 120 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51