#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zit n LYS 2 N 0.00 -4.41 -3.71 0.03 4.01 -1.26 -4.59 118.16 108.24 1zit n LYS 2 Ca 0.00 3.34 -0.13 0.00 -0.51 0.00 0.00 58.31 61.01 1zit n LYS 2 Cb 0.00 -4.91 -0.14 0.00 -0.51 0.00 0.00 35.03 29.47 1zit n LYS 2 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1zit s ARG 3 N -0.71 0.15 0.15 1.97 3.00 -1.26 -0.65 118.95 121.60 1zit s ARG 3 Ca -0.28 0.57 0.10 0.00 0.00 0.00 0.00 55.73 56.12 1zit s ARG 3 Cb 0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 34.95 34.80 1zit s ARG 3 CO 0.77 -0.21 -0.22 0.08 0.00 0.00 0.00 175.30 175.71 1zit s VAL 4 N 1.67 2.05 -0.14 3.52 1.01 -0.90 -4.04 120.40 123.57 1zit s VAL 4 Ca -0.05 -1.83 -0.06 0.00 0.00 0.00 0.00 61.98 60.04 1zit s VAL 4 Cb -0.11 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1zit s VAL 4 CO -0.08 -0.11 0.07 -0.22 0.00 0.00 0.00 175.10 174.76 1zit s LEU 5 N -2.35 3.92 -0.53 3.92 2.96 0.12 -1.72 118.68 124.99 1zit s LEU 5 Ca 0.15 0.21 0.04 0.00 -0.22 0.00 0.00 54.13 54.30 1zit s LEU 5 Cb -0.08 -1.96 0.13 0.00 0.50 0.00 0.00 46.19 44.78 1zit s LEU 5 CO 0.07 0.29 0.28 -0.69 -1.32 0.00 0.00 176.35 174.98 1zit s VAL 6 N -0.34 2.53 -0.32 1.68 1.01 -1.26 0.19 120.40 123.89 1zit s VAL 6 Ca 0.09 -3.37 -0.29 0.00 0.00 0.00 0.00 61.98 58.41 1zit s VAL 6 Cb -0.12 -2.75 0.01 0.00 0.00 0.00 0.00 36.38 33.53 1zit s VAL 6 CO 0.02 -0.83 1.14 -0.69 0.00 0.00 0.00 175.10 174.74 1zit s VAL 7 N -0.37 4.39 0.18 2.92 1.01 0.22 -0.16 120.40 128.58 1zit s VAL 7 Ca 0.18 1.58 -0.17 0.00 0.00 0.00 0.00 61.98 63.57 1zit s VAL 7 Cb -0.24 -4.36 0.03 0.00 0.00 0.00 0.00 36.38 31.81 1zit s VAL 7 CO -0.02 -0.52 0.49 -0.62 0.00 0.00 0.00 175.10 174.44 1zit s ASP 8 N 2.00 -0.27 -0.16 3.32 2.15 0.23 0.13 116.67 124.07 1zit s ASP 8 Ca 0.48 -0.42 -0.05 0.00 0.43 0.00 0.00 52.55 53.00 1zit s ASP 8 Cb -0.13 0.55 -0.12 0.00 -0.30 0.00 0.00 42.92 42.92 1zit s ASP 8 CO 0.19 -0.99 3.16 -0.67 -0.17 0.00 0.00 175.17 176.68 1zit n ASP 9 N -0.31 5.69 -4.64 -0.34 2.03 -1.16 -3.35 116.55 114.46 1zit n ASP 9 Ca -0.12 -2.73 -0.26 0.00 0.52 0.00 0.00 54.79 52.20 1zit n ASP 9 Cb 0.63 -1.32 -0.09 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 -0.06 2.05 0.00 -0.67 2.12 -1.26 -4.74 118.70 116.13 1zit s GLU 10 Ca 0.58 -1.90 0.00 0.00 0.36 0.00 0.00 54.97 54.00 1zit s GLU 10 Cb 0.31 -1.83 0.00 0.00 0.26 0.00 0.00 34.13 32.87 1zit s GLU 10 CO -0.07 0.02 0.00 0.39 -0.54 0.00 0.00 175.26 175.06 1zit n GLU 11 N -1.01 0.00 -3.72 4.30 4.71 -1.26 -4.53 120.64 119.13 1zit n GLU 11 Ca -0.04 0.00 -0.38 0.00 -0.01 0.00 0.00 57.16 56.73 1zit n GLU 11 Cb 0.64 -0.39 -0.12 0.00 -1.01 0.00 0.00 31.44 30.56 1zit n GLU 11 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 1zit s SER 12 N -1.00 5.32 0.28 1.62 0.01 -1.26 -4.89 113.70 113.78 1zit s SER 12 Ca 0.00 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 56.50 1zit s SER 12 Cb 0.00 -1.92 0.00 0.00 0.21 0.00 0.00 66.02 64.31 1zit s SER 12 CO 0.00 -0.24 0.00 -0.38 0.41 0.00 0.00 173.24 173.03 1zit n ILE 13 N 4.90 -0.29 -2.73 1.44 2.08 -1.26 -4.90 119.36 118.59 1zit n ILE 13 Ca -0.14 0.39 -0.24 0.00 0.56 0.00 0.00 62.75 63.32 1zit n ILE 13 Cb 0.48 -0.63 0.02 0.00 -0.75 0.00 0.00 39.64 38.76 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 -4.09 3.65 0.07 1.39 -4.23 -1.26 -4.93 115.64 106.24 1zit s THR 14 Ca 0.00 -0.36 -0.26 0.00 -1.18 0.00 0.00 61.69 59.89 1zit s THR 14 Cb 0.00 -3.39 -0.06 0.00 1.34 0.00 0.00 72.50 70.40 1zit s THR 14 CO 0.00 -0.31 0.80 -0.55 -0.54 0.00 0.00 174.62 174.02 1zit s SER 15 N -4.28 7.28 0.00 3.99 0.15 -1.26 -3.67 113.70 115.90 1zit s SER 15 Ca 0.52 1.53 0.00 0.00 0.70 0.00 0.00 55.95 58.70 1zit s SER 15 Cb -0.10 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1zit s SER 15 CO 0.40 0.01 0.00 -1.20 1.20 0.00 0.00 173.24 173.66 1zit n SER 16 N 2.71 0.00 -0.10 5.45 7.64 -1.26 -4.83 113.62 123.23 1zit n SER 16 Ca -0.02 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.65 1zit n SER 16 Cb 0.50 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.59 1zit n SER 16 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1zit n LEU 17 N 0.00 1.86 -0.18 -3.43 4.77 -1.24 -3.82 117.00 114.95 1zit n LEU 17 Ca 0.00 0.43 -0.07 0.00 -0.03 0.00 0.00 56.01 56.35 1zit n LEU 17 Cb 0.00 -0.96 -0.01 0.00 -2.33 0.00 0.00 43.42 40.12 1zit n LEU 17 CO 0.00 0.23 0.61 -1.28 -1.33 0.00 0.00 177.39 175.63 1zit h SER 18 N -1.00 -1.25 -0.96 -1.43 0.87 -1.88 0.31 113.55 108.22 1zit h SER 18 Ca -0.34 0.23 0.13 0.00 -1.23 0.00 0.00 61.79 60.58 1zit h SER 18 Cb 1.26 0.59 -0.08 0.00 -0.44 0.00 0.00 62.40 63.74 1zit h SER 18 CO -0.20 -0.32 0.61 0.00 -0.53 0.00 0.00 176.83 176.38 1zit h ALA 19 N 0.82 1.64 0.02 6.23 0.00 -1.91 -0.30 119.26 125.76 1zit h ALA 19 Ca 0.20 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1zit h ALA 19 Cb 0.56 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1zit h ALA 19 CO -0.65 0.12 -0.01 0.82 0.00 0.00 0.00 179.25 179.53 1zit h ILE 20 N 0.88 0.00 -1.31 0.00 2.04 -0.67 -2.38 117.51 116.07 1zit h ILE 20 Ca 0.47 -0.01 0.38 0.00 1.00 0.00 0.00 64.86 66.71 1zit h ILE 20 Cb 0.57 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.57 1zit h ILE 20 CO -0.24 0.00 0.91 -0.07 0.00 0.00 0.00 178.15 178.75 1zit h LEU 21 N -0.03 0.15 -0.67 1.44 3.38 -0.51 1.41 115.31 120.47 1zit h LEU 21 Ca -0.00 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 1zit h LEU 21 Cb 0.02 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1zit h LEU 21 CO 0.00 -0.02 -0.55 -0.33 0.09 0.00 0.00 178.44 177.64 1zit h GLU 22 N 0.11 0.00 0.12 1.13 5.08 -1.09 0.42 114.58 120.35 1zit h GLU 22 Ca 0.69 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.75 1zit h GLU 22 Cb 2.41 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.66 1zit h GLU 22 CO -0.16 0.55 -1.44 1.49 -1.00 0.00 0.00 179.01 178.44 1zit h GLU 23 N 0.00 0.26 0.05 2.33 4.81 0.24 -3.33 114.58 118.93 1zit h GLU 23 Ca -0.01 -0.45 -0.24 0.00 -0.13 0.00 0.00 59.36 58.54 1zit h GLU 23 Cb 1.12 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.64 1zit h GLU 23 CO 0.07 1.15 -1.18 0.93 -0.73 0.00 0.00 179.01 179.25 1zit h GLU 24 N 0.07 0.10 0.00 1.92 4.39 -0.90 -3.48 114.58 116.67 1zit h GLU 24 Ca -0.21 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1zit h GLU 24 Cb 2.01 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.72 1zit h GLU 24 CO 0.18 1.03 0.00 0.41 -1.16 0.00 0.00 179.01 179.46 1zit n GLY 25 N 1.45 1.98 1.58 -3.84 0.00 0.73 -5.08 105.19 102.01 1zit n GLY 25 Ca -0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 1zit n GLY 25 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1zit n TYR 26 N -1.01 -3.59 -3.50 1.61 4.01 0.11 -4.80 117.16 110.00 1zit n TYR 26 Ca 0.00 -0.60 -0.29 0.00 -0.16 0.00 0.00 57.90 56.85 1zit n TYR 26 Cb 0.00 -0.36 -0.12 0.00 -0.31 0.00 0.00 39.34 38.55 1zit n TYR 26 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1zit s HIS 27 N -1.64 0.94 0.08 -0.72 2.46 0.18 -4.77 115.29 111.82 1zit s HIS 27 Ca 0.29 -1.79 -0.30 0.00 0.47 0.00 0.00 55.06 53.73 1zit s HIS 27 Cb -0.01 -1.07 -0.05 0.00 -0.13 0.00 0.00 32.58 31.32 1zit s HIS 27 CO 0.20 -0.82 1.04 -1.25 -2.47 0.00 0.00 174.74 171.44 1zit s PRO 28 N 0.89 4.58 0.00 2.88 0.04 -1.25 -2.11 135.00 140.03 1zit s PRO 28 Ca 0.19 1.56 0.18 0.00 0.04 0.00 0.00 61.00 62.96 1zit s PRO 28 Cb -0.22 -3.38 0.01 0.00 0.04 0.00 0.00 34.50 30.95 1zit s PRO 28 CO -0.00 0.00 0.92 -0.25 0.04 0.00 0.00 177.00 177.71 1zit n ASP 29 N 3.31 1.78 0.00 6.66 8.00 -0.70 -4.97 116.55 130.63 1zit n ASP 29 Ca 0.05 -1.39 0.00 0.00 0.71 0.00 0.00 54.79 54.16 1zit n ASP 29 Cb 0.49 0.43 0.00 0.00 -0.02 0.00 0.00 41.12 42.02 1zit n ASP 29 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1zit n THR 30 N -0.00 0.00 -4.23 -3.53 -2.24 -1.26 -4.75 114.28 98.27 1zit n THR 30 Ca 0.08 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.60 1zit n THR 30 Cb 0.37 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.53 1zit n THR 30 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1zit s ALA 31 N 0.00 3.19 0.02 6.98 0.00 0.77 -4.83 121.76 127.90 1zit s ALA 31 Ca 0.00 -1.45 0.10 0.00 0.00 0.00 0.00 51.96 50.61 1zit s ALA 31 Cb 0.00 -0.93 -0.12 0.00 0.00 0.00 0.00 23.12 22.06 1zit s ALA 31 CO 0.00 0.41 1.29 0.87 0.00 0.00 0.00 175.76 178.33 1zit h LYS 32 N 2.43 0.00 -2.55 0.00 1.57 -1.79 0.65 116.57 116.88 1zit h LYS 32 Ca -0.46 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.47 1zit h LYS 32 Cb 1.22 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.49 1zit h LYS 32 CO 0.58 0.81 0.57 0.95 -0.57 0.00 0.00 179.45 181.79 1zit s THR 33 N -2.79 0.00 0.44 -0.16 -4.23 -1.25 -3.01 115.64 104.65 1zit s THR 33 Ca 0.02 -0.60 0.13 0.00 -1.18 0.00 0.00 61.69 60.05 1zit s THR 33 Cb 0.09 -2.88 0.31 0.00 1.34 0.00 0.00 72.50 71.37 1zit s THR 33 CO 0.80 0.00 2.02 -0.07 -0.54 0.00 0.00 174.62 176.82 1zit h LEU 34 N 2.00 0.33 0.55 4.79 3.38 -1.95 0.49 115.31 124.90 1zit h LEU 34 Ca -0.28 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 1zit h LEU 34 Cb 1.22 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.91 1zit h LEU 34 CO 0.36 0.21 -0.26 0.03 0.09 0.00 0.00 178.44 178.87 1zit h ARG 35 N 0.37 -0.71 0.00 1.13 -0.00 -1.98 0.27 114.38 113.46 1zit h ARG 35 Ca 0.22 0.05 -0.05 0.00 -0.50 0.00 0.00 59.98 59.69 1zit h ARG 35 Cb 0.37 0.16 -0.01 0.00 0.00 0.00 0.00 29.97 30.50 1zit h ARG 35 CO -0.05 -0.42 -0.25 1.49 0.00 0.00 0.00 179.97 180.74 1zit h GLU 36 N -0.89 0.00 0.00 0.04 4.22 -1.81 -1.97 114.58 114.17 1zit h GLU 36 Ca -0.08 0.00 -0.12 0.00 0.08 0.00 0.00 59.36 59.24 1zit h GLU 36 Cb 0.62 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1zit h GLU 36 CO 0.12 0.25 -0.58 0.00 -2.18 0.00 0.00 179.01 176.62 1zit h ALA 37 N 1.75 0.94 -0.26 2.92 0.00 0.24 -2.31 119.26 122.54 1zit h ALA 37 Ca -0.00 -0.53 -0.16 0.00 0.00 0.00 0.00 54.91 54.22 1zit h ALA 37 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1zit h ALA 37 CO 0.03 0.73 -0.47 0.93 0.00 0.00 0.00 179.25 180.47 1zit h GLU 38 N 0.00 0.78 -0.25 0.00 5.08 0.29 0.99 114.58 121.47 1zit h GLU 38 Ca -0.01 -0.49 -0.07 0.00 -1.00 0.00 0.00 59.36 57.79 1zit h GLU 38 Cb 1.09 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1zit h GLU 38 CO 0.08 1.12 -0.17 -0.22 -1.00 0.00 0.00 179.01 178.82 1zit h LYS 39 N 0.53 0.43 0.07 2.33 3.11 -1.39 0.34 116.57 121.99 1zit h LYS 39 Ca 0.02 -0.13 -0.26 0.00 -2.81 0.00 0.00 60.65 57.47 1zit h LYS 39 Cb 1.08 -0.04 0.01 0.00 -1.00 0.00 0.00 32.23 32.27 1zit h LYS 39 CO 0.11 0.59 -1.11 0.87 -2.81 0.00 0.00 179.45 177.10 1zit h LYS 40 N 0.39 0.37 0.00 1.90 1.57 -1.28 -3.25 116.57 116.28 1zit h LYS 40 Ca 0.07 -0.50 -0.10 0.00 -1.87 0.00 0.00 60.65 58.25 1zit h LYS 40 Cb 0.53 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 1zit h LYS 40 CO 0.03 1.19 -0.48 0.82 -0.57 0.00 0.00 179.45 180.44 1zit h ILE 41 N 0.17 0.86 -0.49 1.86 2.04 -0.55 -2.69 117.51 118.71 1zit h ILE 41 Ca -0.12 -2.08 -0.24 0.00 1.00 0.00 0.00 64.86 63.42 1zit h ILE 41 Cb 1.78 2.33 -0.14 0.00 -0.74 0.00 0.00 36.82 40.05 1zit h ILE 41 CO 0.19 0.47 0.30 0.29 0.00 0.00 0.00 178.15 179.40 1zit n LYS 42 N -3.28 1.80 0.00 2.37 5.02 0.12 -4.14 118.16 120.05 1zit n LYS 42 Ca 0.02 -1.55 0.00 0.00 -2.02 0.00 0.00 58.31 54.75 1zit n LYS 42 Cb 0.69 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1zit n LYS 42 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1zit n GLU 43 N -0.27 0.00 -4.28 1.97 1.02 -1.21 -4.98 120.64 112.89 1zit n GLU 43 Ca 0.29 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 57.17 1zit n GLU 43 Cb 1.06 -0.11 -0.09 0.00 -0.02 0.00 0.00 31.44 32.29 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 -4.38 3.07 -0.96 -4.62 0.20 -1.02 -5.07 118.68 105.91 1zit s LEU 44 Ca 0.00 -0.56 -0.21 0.00 0.69 0.00 0.00 54.13 54.05 1zit s LEU 44 Cb 0.00 -1.72 0.10 0.00 -0.43 0.00 0.00 46.19 44.14 1zit s LEU 44 CO 0.00 0.08 1.25 0.12 -0.29 0.00 0.00 176.35 177.52 1zit s PHE 45 N -1.83 2.86 -0.34 5.38 5.36 -1.26 -4.59 117.98 123.55 1zit s PHE 45 Ca 0.27 -1.13 -0.29 0.00 -0.96 0.00 0.00 56.93 54.82 1zit s PHE 45 Cb -0.08 -4.46 0.01 0.00 -0.34 0.00 0.00 43.02 38.15 1zit s PHE 45 CO 0.17 -1.68 1.27 -0.06 -1.46 0.00 0.00 175.22 173.46 1zit s PHE 46 N 3.69 2.71 -0.12 10.12 0.08 -1.26 -4.89 117.98 128.30 1zit s PHE 46 Ca 0.38 0.86 0.19 0.00 0.12 0.00 0.00 56.93 58.48 1zit s PHE 46 Cb -0.03 -4.01 0.36 0.00 -0.57 0.00 0.00 43.02 38.77 1zit s PHE 46 CO -0.09 -1.59 1.58 -1.00 -0.10 0.00 0.00 175.22 174.02 1zit h PRO 47 N 9.37 0.00 -3.07 0.24 0.13 -1.87 -3.41 132.00 133.40 1zit h PRO 47 Ca -0.25 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.69 1zit h PRO 47 Cb 1.09 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.94 1zit h PRO 47 CO 1.05 0.33 -0.47 0.08 -0.23 0.00 0.00 178.00 178.77 1zit s VAL 48 N -3.20 -0.03 0.12 1.56 1.01 -1.26 0.70 120.40 119.30 1zit s VAL 48 Ca 0.04 0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.20 1zit s VAL 48 Cb 0.08 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 1zit s VAL 48 CO 0.70 0.04 -0.17 -0.63 0.00 0.00 0.00 175.10 175.04 1zit s ILE 49 N 0.88 2.89 -0.29 2.22 -1.09 0.20 0.13 121.20 126.14 1zit s ILE 49 Ca -0.06 -1.48 -0.03 0.00 -2.23 0.00 0.00 60.65 56.85 1zit s ILE 49 Cb -0.07 -2.33 0.11 0.00 -1.58 0.00 0.00 42.46 38.59 1zit s ILE 49 CO -0.06 0.10 0.19 -0.69 -1.23 0.00 0.00 174.94 173.26 1zit s VAL 50 N -1.15 -0.20 0.30 2.92 1.01 0.50 -2.43 120.40 121.35 1zit s VAL 50 Ca 0.18 -0.65 -0.15 0.00 0.00 0.00 0.00 61.98 61.36 1zit s VAL 50 Cb -0.11 -0.98 -0.09 0.00 0.00 0.00 0.00 36.38 35.21 1zit s VAL 50 CO 0.10 -0.63 0.72 -0.22 0.00 0.00 0.00 175.10 175.08 1zit s LEU 51 N 2.20 4.11 -0.21 3.92 2.96 -1.26 0.72 118.68 131.13 1zit s LEU 51 Ca 0.09 1.28 -0.05 0.00 -0.22 0.00 0.00 54.13 55.23 1zit s LEU 51 Cb -0.15 -3.98 0.07 0.00 0.50 0.00 0.00 46.19 42.63 1zit s LEU 51 CO -0.35 -0.16 0.11 -0.62 -1.32 0.00 0.00 176.35 174.00 1zit s ASP 52 N -2.18 2.64 -1.23 3.68 -1.08 0.34 0.11 116.67 118.95 1zit s ASP 52 Ca 0.52 -0.79 -0.09 0.00 -0.52 0.00 0.00 52.55 51.67 1zit s ASP 52 Cb -0.11 -0.25 -0.07 0.00 -1.46 0.00 0.00 42.92 41.03 1zit s ASP 52 CO 0.18 -0.37 2.45 1.33 0.52 0.00 0.00 175.17 179.28 1zit n VAL 53 N 5.27 3.22 0.00 1.11 0.24 -1.22 -4.15 118.33 122.81 1zit n VAL 53 Ca -0.07 -2.02 0.00 0.00 -2.04 0.00 0.00 64.34 60.21 1zit n VAL 53 Cb 0.47 -2.37 0.00 0.00 -1.47 0.00 0.00 33.84 30.47 1zit n VAL 53 CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56 1zit n TRP 54 N 4.30 0.00 -2.69 6.34 -0.00 -1.26 -4.69 117.44 119.44 1zit n TRP 54 Ca 0.59 0.00 -0.08 0.00 -0.00 0.00 0.00 57.50 58.02 1zit n TRP 54 Cb 0.21 -0.01 0.09 0.00 -0.00 0.00 0.00 31.31 31.60 1zit n TRP 54 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 177.69 177.57 1zit n MET 55 N -0.52 1.18 0.00 5.87 0.00 -1.26 -5.03 117.12 117.36 1zit n MET 55 Ca 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 57.70 55.43 1zit n MET 55 Cb 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 33.22 32.80 1zit n MET 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1zit n PRO 56 N -0.43 2.38 -2.66 2.12 -0.05 -1.26 -4.88 135.00 130.21 1zit n PRO 56 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.46 1zit n PRO 56 Cb 0.84 0.00 0.05 0.00 -0.05 0.00 0.00 33.50 34.35 1zit n PRO 56 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 1zit n ASP 57 N 0.00 1.12 0.00 3.54 2.03 -1.26 -4.99 116.55 116.99 1zit n ASP 57 Ca 0.00 -2.04 0.00 0.00 0.52 0.00 0.00 54.79 53.27 1zit n ASP 57 Cb 0.00 -0.32 0.00 0.00 -0.72 0.00 0.00 41.12 40.08 1zit n ASP 57 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1zit n GLY 58 N -0.60 -0.30 3.16 0.27 0.00 -1.26 -5.04 105.19 101.41 1zit n GLY 58 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 1zit n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1zit n ASP 59 N -1.13 -7.37 -4.09 1.61 9.92 -1.26 -4.98 116.55 109.26 1zit n ASP 59 Ca 0.00 -0.25 -0.36 0.00 -0.53 0.00 0.00 54.79 53.65 1zit n ASP 59 Cb 0.00 -5.00 -0.11 0.00 -0.64 0.00 0.00 41.12 35.38 1zit n ASP 59 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1zit s GLY 60 N -3.07 2.35 0.42 0.44 0.00 -1.26 -4.93 107.32 101.27 1zit s GLY 60 Ca 0.08 -3.05 0.09 0.00 0.00 0.00 0.00 44.72 41.84 1zit s GLY 60 CO 0.76 1.07 2.04 -2.08 0.00 0.00 0.00 173.10 174.89 1zit h VAL 61 N 5.62 1.04 -0.00 1.40 2.07 -1.94 0.56 116.25 125.00 1zit h VAL 61 Ca -0.05 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1zit h VAL 61 Cb 0.97 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1zit h VAL 61 CO 0.70 0.09 -0.01 0.59 0.02 0.00 0.00 177.57 178.97 1zit n ASN 62 N -4.48 0.17 -0.26 0.57 3.02 -1.26 -3.78 115.26 109.25 1zit n ASN 62 Ca 0.05 -0.94 -0.00 0.00 -0.03 0.00 0.00 54.58 53.66 1zit n ASN 62 Cb 0.15 -0.03 0.21 0.00 -0.61 0.00 0.00 39.78 39.49 1zit n ASN 62 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1zit h PHE 63 N 0.26 1.03 -0.92 3.10 3.57 -1.29 -2.46 116.94 120.23 1zit h PHE 63 Ca 0.00 0.02 0.25 0.00 3.53 0.00 0.00 57.97 61.77 1zit h PHE 63 Cb 0.10 -0.35 -0.14 0.00 2.79 0.00 0.00 35.95 38.35 1zit h PHE 63 CO 0.00 0.66 0.39 0.82 -2.23 0.00 0.00 178.31 177.95 1zit h ILE 64 N 1.11 0.38 -0.51 1.41 5.03 -1.75 0.42 117.51 123.60 1zit h ILE 64 Ca 0.30 -0.11 -0.05 0.00 -0.12 0.00 0.00 64.86 64.88 1zit h ILE 64 Cb -0.11 0.03 -0.02 0.00 -3.03 0.00 0.00 36.82 33.68 1zit h ILE 64 CO -0.06 0.06 0.14 -0.78 -0.68 0.00 0.00 178.15 176.82 1zit h ASP 65 N 0.33 0.76 -0.51 1.72 3.58 -1.73 -2.00 116.42 118.58 1zit h ASP 65 Ca 0.60 -0.22 0.06 0.00 0.42 0.00 0.00 57.03 57.89 1zit h ASP 65 Cb 1.22 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 42.04 1zit h ASP 65 CO -0.59 0.79 0.34 0.15 -2.88 0.00 0.00 179.24 177.05 1zit h PHE 66 N 0.70 0.45 0.28 0.28 3.04 -0.24 0.86 116.94 122.31 1zit h PHE 66 Ca 0.16 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.11 1zit h PHE 66 Cb 0.31 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 38.68 1zit h PHE 66 CO 0.02 0.24 -0.13 0.82 -2.02 0.00 0.00 178.31 177.24 1zit h ILE 67 N 0.45 0.77 0.00 1.41 1.08 -0.43 -2.54 117.51 118.24 1zit h ILE 67 Ca 0.22 -0.48 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 1zit h ILE 67 Cb 0.30 1.02 0.00 0.00 -3.07 0.00 0.00 36.82 35.07 1zit h ILE 67 CO -0.06 0.10 0.00 0.11 -0.69 0.00 0.00 178.15 177.61 1zit h LYS 68 N -0.63 0.00 -0.24 2.37 1.57 -0.82 0.35 116.57 119.18 1zit h LYS 68 Ca -0.04 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 1zit h LYS 68 Cb 0.45 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1zit h LYS 68 CO 0.06 0.00 -0.19 1.49 -0.57 0.00 0.00 179.45 180.24 1zit h GLU 69 N 0.00 0.55 -0.16 3.15 4.81 1.00 -3.10 114.58 120.84 1zit h GLU 69 Ca 0.00 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1zit h GLU 69 Cb 0.53 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1zit h GLU 69 CO 0.00 0.85 0.00 0.09 -0.73 0.00 0.00 179.01 179.22 1zit n ASN 70 N -4.41 2.65 -2.73 1.04 3.02 -0.98 -4.77 115.26 109.07 1zit n ASN 70 Ca -0.04 -2.32 -0.08 0.00 -0.03 0.00 0.00 54.58 52.10 1zit n ASN 70 Cb 0.40 -0.23 0.07 0.00 -0.61 0.00 0.00 39.78 39.41 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 -0.31 -2.51 0.24 6.41 7.64 0.12 -4.86 113.62 120.36 1zit n SER 71 Ca 0.10 -3.21 0.16 0.00 1.01 0.00 0.00 58.87 56.92 1zit n SER 71 Cb 0.47 1.73 0.59 0.00 -1.01 0.00 0.00 64.21 65.99 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 3.54 0.00 -0.70 1.43 0.11 -1.69 -2.85 132.00 131.83 1zit h PRO 72 Ca -0.15 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.57 1zit h PRO 72 Cb 1.08 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 31.96 1zit h PRO 72 CO 0.21 0.00 0.28 -3.47 -0.21 0.00 0.00 178.00 174.81 1zit n ASP 73 N -2.89 3.58 0.00 -2.05 -0.08 -1.26 -4.96 116.55 108.89 1zit n ASP 73 Ca 0.01 -3.72 0.00 0.00 -1.51 0.00 0.00 54.79 49.58 1zit n ASP 73 Cb 0.31 -0.74 0.00 0.00 2.34 0.00 0.00 41.12 43.03 1zit n ASP 73 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1zit n SER 74 N -1.10 0.95 -3.74 1.67 2.88 -1.07 -4.78 113.62 108.42 1zit n SER 74 Ca 0.48 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.90 1zit n SER 74 Cb 1.27 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 64.62 1zit n SER 74 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1zit s VAL 75 N 1.60 -0.01 -0.25 2.46 1.01 0.22 -4.87 120.40 120.55 1zit s VAL 75 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 1zit s VAL 75 Cb 0.00 -0.50 0.02 0.00 0.00 0.00 0.00 36.38 35.90 1zit s VAL 75 CO 0.00 0.02 -0.04 -0.69 0.00 0.00 0.00 175.10 174.39 1zit s VAL 76 N 0.62 3.04 -0.26 2.92 1.01 -1.26 0.62 120.40 127.09 1zit s VAL 76 Ca -0.04 -0.96 -0.09 0.00 0.00 0.00 0.00 61.98 60.89 1zit s VAL 76 Cb -0.05 -2.54 -0.13 0.00 0.00 0.00 0.00 36.38 33.66 1zit s VAL 76 CO -0.04 0.19 -0.31 -0.38 0.00 0.00 0.00 175.10 174.56 1zit n ILE 77 N 4.70 1.45 -3.05 2.22 2.08 -1.02 0.13 119.36 125.86 1zit n ILE 77 Ca -0.16 -0.41 -0.10 0.00 0.56 0.00 0.00 62.75 62.64 1zit n ILE 77 Cb 0.47 -1.74 0.01 0.00 -0.75 0.00 0.00 39.64 37.63 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 -3.95 -7.11 -3.21 1.39 0.31 -1.26 -4.08 118.33 100.42 1zit n VAL 78 Ca -0.50 0.90 -0.23 0.00 -0.01 0.00 0.00 64.34 64.49 1zit n VAL 78 Cb 0.90 -5.10 -0.00 0.00 -0.91 0.00 0.00 33.84 28.73 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 -1.59 4.55 0.08 2.52 1.01 0.30 -4.19 121.20 123.89 1zit s ILE 79 Ca 0.13 -0.51 -0.21 0.00 0.00 0.00 0.00 60.65 60.05 1zit s ILE 79 Cb -0.02 -3.67 0.05 0.00 0.01 0.00 0.00 42.46 38.84 1zit s ILE 79 CO 0.56 -0.44 0.51 0.42 0.00 0.00 0.00 174.94 175.99 1zit s THR 80 N -2.41 0.03 0.00 2.92 -4.23 -1.26 -3.40 115.64 107.28 1zit s THR 80 Ca 0.44 -0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.69 1zit s THR 80 Cb -0.10 -1.01 0.00 0.00 1.34 0.00 0.00 72.50 72.73 1zit s THR 80 CO 0.37 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.91 1zit n GLY 81 N 0.17 4.13 5.20 3.99 0.00 -1.26 -4.81 105.19 112.61 1zit n GLY 81 Ca -0.18 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.17 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 -3.17 1.61 8.25 -1.26 -4.25 115.22 116.40 1zit n HIS 82 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.49 1zit n HIS 82 Cb 0.00 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 1zit n HIS 82 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1zit s GLY 83 N 0.00 -0.99 -0.30 -1.41 0.00 -1.26 -5.13 107.32 98.23 1zit s GLY 83 Ca 0.00 1.61 -0.15 0.00 0.00 0.00 0.00 44.72 46.18 1zit s GLY 83 CO 0.00 3.37 1.00 -0.56 0.00 0.00 0.00 173.10 176.91 1zit s SER 84 N 2.82 -0.56 0.05 1.64 0.01 -1.26 -5.07 113.70 111.33 1zit s SER 84 Ca 0.18 0.73 0.00 0.00 1.31 0.00 0.00 55.95 58.17 1zit s SER 84 Cb -0.14 1.62 0.00 0.00 0.21 0.00 0.00 66.02 67.71 1zit s SER 84 CO -0.22 -0.11 0.00 0.52 0.41 0.00 0.00 173.24 173.85 1zit n VAL 85 N 5.00 0.08 0.40 3.43 0.31 -1.26 -4.78 118.33 121.51 1zit n VAL 85 Ca -0.09 0.03 0.09 0.00 -0.01 0.00 0.00 64.34 64.37 1zit n VAL 85 Cb 0.53 -0.83 0.40 0.00 -0.91 0.00 0.00 33.84 33.02 1zit n VAL 85 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1zit n ASP 86 N -2.84 0.37 0.10 4.52 9.92 -1.26 -2.17 116.55 125.18 1zit n ASP 86 Ca 0.00 0.60 -0.16 0.00 -0.53 0.00 0.00 54.79 54.70 1zit n ASP 86 Cb 0.13 -0.67 -0.11 0.00 -0.64 0.00 0.00 41.12 39.82 1zit n ASP 86 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1zit h THR 87 N 0.00 1.46 0.74 -3.53 1.03 -1.93 -2.86 112.91 107.82 1zit h THR 87 Ca 0.00 -2.86 -0.03 0.00 -0.01 0.00 0.00 66.41 63.50 1zit h THR 87 Cb 0.28 2.80 -0.00 0.00 -1.07 0.00 0.00 68.15 70.15 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 -1.11 -0.09 0.00 0.00 -1.74 -1.88 119.26 115.04 1zit h ALA 88 Ca -0.12 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.59 1zit h ALA 88 Cb 1.87 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 20.17 1zit h ALA 88 CO 0.20 -1.14 0.10 -0.39 0.00 0.00 0.00 179.25 178.02 1zit h VAL 89 N -1.09 0.51 -0.50 0.00 -1.51 -1.67 0.19 116.25 112.18 1zit h VAL 89 Ca -0.10 0.00 -0.33 0.00 -1.23 0.00 0.00 66.70 65.04 1zit h VAL 89 Cb 0.87 0.92 -0.15 0.00 -2.13 0.00 0.00 31.29 30.79 1zit h VAL 89 CO 0.11 0.00 0.43 1.17 -1.23 0.00 0.00 177.57 178.05 1zit n LYS 90 N -3.84 1.83 0.00 5.19 4.81 -0.71 -3.53 118.16 121.91 1zit n LYS 90 Ca -0.01 -1.64 0.00 0.00 -0.87 0.00 0.00 58.31 55.79 1zit n LYS 90 Cb 0.21 -1.64 0.00 0.00 0.02 0.00 0.00 35.03 33.61 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 0.22 0.00 0.00 3.14 0.00 -0.56 -4.74 120.51 118.58 1zit n ALA 91 Ca 0.32 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.58 1zit n ALA 91 Cb 0.63 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.98 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 1.35 0.00 0.00 3.07 -0.82 -3.10 117.51 118.02 1zit h ILE 92 Ca 0.00 -2.04 -0.00 0.00 1.55 0.00 0.00 64.86 64.37 1zit h ILE 92 Cb 0.00 2.35 -0.00 0.00 -0.27 0.00 0.00 36.82 38.90 1zit h ILE 92 CO 0.00 0.61 -0.01 0.50 -1.05 0.00 0.00 178.15 178.21 1zit h LYS 93 N 0.17 0.00 0.00 0.16 1.63 -1.76 -0.71 116.57 116.05 1zit h LYS 93 Ca -0.07 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.61 1zit h LYS 93 Cb 1.37 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.99 1zit h LYS 93 CO 0.14 0.01 -0.53 0.87 -3.45 0.00 0.00 179.45 176.49 1zit h LYS 94 N 0.00 0.00 0.00 1.90 1.79 -1.80 -3.46 116.57 115.00 1zit h LYS 94 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1zit h LYS 94 Cb 0.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1zit h LYS 94 CO 0.00 0.53 0.00 0.41 -1.08 0.00 0.00 179.45 179.31 1zit n GLY 95 N 0.47 0.12 3.08 3.86 0.00 -0.31 -4.99 105.19 107.42 1zit n GLY 95 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.78 -0.85 4.61 0.00 -1.00 -4.86 120.51 116.62 1zit n ALA 96 Ca 0.00 -1.16 -0.11 0.00 0.00 0.00 0.00 53.44 52.17 1zit n ALA 96 Cb 0.00 -1.04 0.24 0.00 0.00 0.00 0.00 19.45 18.64 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 -4.52 2.38 -0.21 0.00 9.36 0.34 -4.84 117.16 119.67 1zit n TYR 97 Ca 0.05 -1.28 0.00 0.00 3.32 0.00 0.00 57.90 59.99 1zit n TYR 97 Cb 0.43 -0.71 0.00 0.00 -0.63 0.00 0.00 39.34 38.42 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 -0.37 -0.58 -2.06 2.98 0.28 -1.26 -4.91 120.64 114.72 1zit n GLU 98 Ca 0.42 0.44 -0.41 0.00 -0.16 0.00 0.00 57.16 57.45 1zit n GLU 98 Cb 1.37 -0.53 -0.02 0.00 1.43 0.00 0.00 31.44 33.69 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 -3.49 2.99 0.28 -1.84 0.40 -1.26 -4.73 117.98 110.32 1zit s PHE 99 Ca 0.00 1.30 -0.29 0.00 -0.60 0.00 0.00 56.93 57.34 1zit s PHE 99 Cb 0.00 -3.75 -0.10 0.00 0.51 0.00 0.00 43.02 39.68 1zit s PHE 99 CO 0.00 -2.17 1.28 -1.17 0.70 0.00 0.00 175.22 173.86 1zit s LEU 100 N -1.51 4.44 -0.11 -0.37 1.98 -1.26 -4.90 118.68 116.96 1zit s LEU 100 Ca 0.52 2.53 -0.38 0.00 -2.89 0.00 0.00 54.13 53.91 1zit s LEU 100 Cb -0.41 -3.63 -0.15 0.00 0.66 0.00 0.00 46.19 42.66 1zit s LEU 100 CO 0.52 -0.47 1.64 -0.62 -1.89 0.00 0.00 176.35 175.53 1zit n GLU 101 N 1.53 1.41 0.19 1.98 4.71 -1.26 -4.75 120.64 124.46 1zit n GLU 101 Ca 0.02 0.52 -0.14 0.00 -0.01 0.00 0.00 57.16 57.54 1zit n GLU 101 Cb 0.42 -2.22 -0.07 0.00 -1.01 0.00 0.00 31.44 28.56 1zit n GLU 101 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1zit h LYS 102 N 6.71 -0.57 0.00 3.49 6.56 -1.90 -3.44 116.57 127.42 1zit h LYS 102 Ca -0.47 0.04 -0.28 0.00 -1.06 0.00 0.00 60.65 58.88 1zit h LYS 102 Cb 1.31 0.13 0.17 0.00 -0.57 0.00 0.00 32.23 33.26 1zit h LYS 102 CO 0.90 -0.38 -0.14 -0.35 -2.06 0.00 0.00 179.45 177.43 1zit n PRO 103 N -5.39 -3.99 -1.47 3.15 -0.04 -1.26 -4.87 135.00 121.13 1zit n PRO 103 Ca -0.09 -1.12 0.00 0.00 -0.04 0.00 0.00 63.50 62.25 1zit n PRO 103 Cb 0.30 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 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 -5.18 -4.03 -1.42 0.54 3.72 -1.26 -4.94 117.46 104.89 1zit n PHE 104 Ca 0.11 2.17 -0.29 0.00 -0.05 0.00 0.00 57.45 59.39 1zit n PHE 104 Cb 0.46 -3.38 0.16 0.00 -0.94 0.00 0.00 39.48 35.78 1zit n PHE 104 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1zit s SER 105 N -4.74 2.97 0.48 4.37 0.15 -1.26 -4.90 113.70 110.76 1zit s SER 105 Ca 0.00 0.93 0.19 0.00 0.70 0.00 0.00 55.95 57.77 1zit s SER 105 Cb 0.00 -1.46 1.20 0.00 -1.71 0.00 0.00 66.02 64.05 1zit s SER 105 CO 0.00 -2.88 1.98 1.62 1.20 0.00 0.00 173.24 175.16 1zit h VAL 106 N -1.73 0.81 -1.19 4.45 3.04 -1.94 -1.40 116.25 118.30 1zit h VAL 106 Ca -0.51 -0.08 0.36 0.00 -1.01 0.00 0.00 66.70 65.47 1zit h VAL 106 Cb 1.32 0.57 -0.11 0.00 -2.01 0.00 0.00 31.29 31.06 1zit h VAL 106 CO 0.57 0.04 0.76 -0.08 -1.01 0.00 0.00 177.57 177.85 1zit h GLU 107 N 0.22 0.21 -0.49 4.17 4.81 -1.91 1.19 114.58 122.78 1zit h GLU 107 Ca 0.27 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.38 1zit h GLU 107 Cb 0.77 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 1zit h GLU 107 CO -0.05 0.14 -0.11 -0.09 -0.73 0.00 0.00 179.01 178.17 1zit h ARG 108 N 0.22 0.94 -0.18 1.92 9.65 -1.60 -2.35 114.38 122.98 1zit h ARG 108 Ca 0.72 -0.35 0.05 0.00 -1.10 0.00 0.00 59.98 59.30 1zit h ARG 108 Cb 2.08 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 30.60 1zit h ARG 108 CO -0.37 1.01 0.16 0.35 2.80 0.00 0.00 179.97 183.93 1zit h PHE 109 N 0.79 0.00 -0.22 2.20 3.57 0.13 -1.85 116.94 121.56 1zit h PHE 109 Ca 0.13 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1zit h PHE 109 Cb 0.66 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 1zit h PHE 109 CO 0.05 0.00 0.15 1.25 -2.23 0.00 0.00 178.31 177.52 1zit h LEU 110 N 0.00 0.25 -0.25 0.59 6.46 -0.81 -2.31 115.31 119.23 1zit h LEU 110 Ca 0.08 -0.01 0.06 0.00 -0.12 0.00 0.00 57.88 57.90 1zit h LEU 110 Cb 0.41 -0.06 -0.07 0.00 -0.73 0.00 0.00 40.66 40.21 1zit h LEU 110 CO -0.00 0.19 -0.21 -0.07 -0.62 0.00 0.00 178.44 177.72 1zit h LEU 111 N 0.30 -0.69 -0.49 2.25 4.07 -1.40 -1.98 115.31 117.37 1zit h LEU 111 Ca 0.08 0.13 0.04 0.00 0.08 0.00 0.00 57.88 58.21 1zit h LEU 111 Cb -0.03 0.34 -0.04 0.00 1.08 0.00 0.00 40.66 42.00 1zit h LEU 111 CO -0.02 -0.25 0.25 0.74 -1.08 0.00 0.00 178.44 178.08 1zit h THR 112 N -0.21 0.96 -0.55 0.22 2.02 -1.58 -2.93 112.91 110.84 1zit h THR 112 Ca 0.14 -0.17 0.09 0.00 0.77 0.00 0.00 66.41 67.24 1zit h THR 112 Cb 0.43 0.43 -0.10 0.00 -1.74 0.00 0.00 68.15 67.17 1zit h THR 112 CO -0.38 0.09 -0.42 0.40 0.37 0.00 0.00 175.52 175.58 1zit h ILE 113 N 0.49 0.10 -0.12 3.11 1.08 -0.78 0.21 117.51 121.59 1zit h ILE 113 Ca 0.21 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.71 1zit h ILE 113 Cb 0.12 0.10 -0.05 0.00 -3.07 0.00 0.00 36.82 33.92 1zit h ILE 113 CO -0.15 0.00 -0.41 0.50 -0.69 0.00 0.00 178.15 177.40 1zit h LYS 114 N -0.24 -0.41 -0.77 2.37 3.11 -1.32 0.50 116.57 119.83 1zit h LYS 114 Ca 0.18 0.03 0.22 0.00 -2.81 0.00 0.00 60.65 58.27 1zit h LYS 114 Cb 0.56 0.09 -0.03 0.00 -1.00 0.00 0.00 32.23 31.86 1zit h LYS 114 CO -0.67 -0.27 0.69 0.45 -2.81 0.00 0.00 179.45 176.84 1zit h HIS 115 N -0.42 0.00 0.00 1.91 -0.00 -1.25 0.87 115.15 116.25 1zit h HIS 115 Ca 0.03 0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.32 1zit h HIS 115 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.90 1zit h HIS 115 CO -0.57 0.00 -0.37 0.00 -0.00 0.00 0.00 177.93 177.00 1zit h ALA 116 N 1.34 1.35 0.00 2.45 0.00 0.32 1.12 119.26 125.83 1zit h ALA 116 Ca 0.36 -0.34 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 1zit h ALA 116 Cb 1.74 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.44 1zit h ALA 116 CO -0.00 0.46 -1.42 0.74 0.00 0.00 0.00 179.25 179.03 1zit h PHE 117 N 0.00 0.00 0.02 0.00 0.04 0.13 -3.31 116.94 113.82 1zit h PHE 117 Ca -0.00 0.00 -0.39 0.00 2.80 0.00 0.00 57.97 60.37 1zit h PHE 117 Cb 0.67 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.76 1zit h PHE 117 CO 0.00 0.65 -2.39 0.39 -0.60 0.00 0.00 178.31 176.35 1zit n GLU 118 N -2.93 0.66 -0.65 1.51 -0.58 -0.67 -4.18 120.64 113.80 1zit n GLU 118 Ca -0.10 0.19 -0.09 0.00 -0.42 0.00 0.00 57.16 56.74 1zit n GLU 118 Cb 0.87 -1.55 0.14 0.00 -0.57 0.00 0.00 31.44 30.33 1zit n GLU 118 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1zit n GLU 119 N -3.43 2.15 -2.37 3.49 1.02 0.39 -3.99 120.64 117.89 1zit n GLU 119 Ca -0.45 -1.75 -0.02 0.00 -0.02 0.00 0.00 57.16 54.92 1zit n GLU 119 Cb 0.98 -1.75 0.10 0.00 -0.02 0.00 0.00 31.44 30.75 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 -1.66 1.06 -0.32 4.19 -1.25 -4.90 117.16 114.07 1zit n TYR 120 Ca 0.29 -1.43 0.12 0.00 3.31 0.00 0.00 57.90 60.20 1zit n TYR 120 Cb 1.07 1.35 0.15 0.00 0.49 0.00 0.00 39.34 42.40 1zit n TYR 120 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22