#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 1.58 -0.06 0.03 -0.14 -1.26 -5.11 119.74 114.78 1zit s LYS 2 Ca 0.00 -0.47 -0.03 0.00 -1.36 0.00 0.00 55.97 54.11 1zit s LYS 2 Cb 0.00 -1.93 0.03 0.00 -1.68 0.00 0.00 37.83 34.25 1zit s LYS 2 CO 0.00 -0.37 0.13 1.03 -0.76 0.00 0.00 175.35 175.38 1zit s ARG 3 N 1.62 0.10 0.20 1.68 3.00 -1.26 -1.82 118.95 122.48 1zit s ARG 3 Ca 0.02 0.29 0.06 0.00 0.00 0.00 0.00 55.73 56.11 1zit s ARG 3 Cb -0.14 -0.09 -0.05 0.00 0.00 0.00 0.00 34.95 34.66 1zit s ARG 3 CO -0.08 -0.11 -0.11 0.08 0.00 0.00 0.00 175.30 175.07 1zit s VAL 4 N 0.78 1.53 -0.10 3.52 1.01 -0.85 -3.65 120.40 122.64 1zit s VAL 4 Ca -0.06 -2.15 0.00 0.00 0.00 0.00 0.00 61.98 59.77 1zit s VAL 4 Cb -0.08 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 1zit s VAL 4 CO -0.04 -0.57 -0.11 -0.22 0.00 0.00 0.00 175.10 174.17 1zit s LEU 5 N -3.30 2.90 -0.57 3.92 2.96 0.26 -1.77 118.68 123.09 1zit s LEU 5 Ca 0.22 -0.20 0.01 0.00 -0.22 0.00 0.00 54.13 53.94 1zit s LEU 5 Cb 0.01 -1.64 0.15 0.00 0.50 0.00 0.00 46.19 45.21 1zit s LEU 5 CO 0.06 0.25 0.35 -0.69 -1.32 0.00 0.00 176.35 175.01 1zit s VAL 6 N -0.17 3.15 -0.56 1.68 1.01 -1.26 0.17 120.40 124.42 1zit s VAL 6 Ca 0.01 -3.14 -0.26 0.00 0.00 0.00 0.00 61.98 58.59 1zit s VAL 6 Cb -0.13 -3.11 0.04 0.00 0.00 0.00 0.00 36.38 33.17 1zit s VAL 6 CO 0.03 -0.84 1.05 -0.69 0.00 0.00 0.00 175.10 174.65 1zit s VAL 7 N -0.18 4.23 -0.02 2.92 1.01 0.11 0.77 120.40 129.24 1zit s VAL 7 Ca 0.17 0.56 0.01 0.00 0.00 0.00 0.00 61.98 62.72 1zit s VAL 7 Cb -0.23 -4.62 0.02 0.00 0.00 0.00 0.00 36.38 31.55 1zit s VAL 7 CO -0.02 -1.21 -0.02 -0.62 0.00 0.00 0.00 175.10 173.23 1zit s ASP 8 N 2.88 0.55 0.23 3.32 -1.08 0.75 -2.25 116.67 121.08 1zit s ASP 8 Ca 0.36 -0.07 -0.06 0.00 -0.52 0.00 0.00 52.55 52.26 1zit s ASP 8 Cb -0.10 -0.22 0.40 0.00 -1.46 0.00 0.00 42.92 41.53 1zit s ASP 8 CO 0.22 -0.04 1.73 -0.78 0.52 0.00 0.00 175.17 176.82 1zit h ASP 9 N 6.84 0.21 -2.27 -0.34 3.58 -1.65 -3.34 116.42 119.46 1zit h ASP 9 Ca -0.37 0.11 0.18 0.00 0.42 0.00 0.00 57.03 57.36 1zit h ASP 9 Cb 1.16 0.10 -0.32 0.00 1.72 0.00 0.00 39.33 41.99 1zit h ASP 9 CO 0.49 0.09 0.75 -1.83 -2.88 0.00 0.00 179.24 175.85 1zit s GLU 10 N -6.05 0.13 0.75 0.28 -1.05 -1.26 -4.87 118.70 106.63 1zit s GLU 10 Ca -0.13 0.18 0.00 0.00 -0.15 0.00 0.00 54.97 54.88 1zit s GLU 10 Cb 0.19 0.05 0.00 0.00 -0.44 0.00 0.00 34.13 33.93 1zit s GLU 10 CO 0.76 -0.02 0.00 -0.85 0.95 0.00 0.00 175.26 176.10 1zit n GLU 11 N 2.33 0.00 0.00 -4.83 0.28 -1.26 -4.76 120.64 112.40 1zit n GLU 11 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.87 1zit n GLU 11 Cb 0.57 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.44 1zit n GLU 11 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1zit n SER 12 N -3.73 0.00 -0.06 -1.84 2.88 -1.26 -3.65 113.62 105.95 1zit n SER 12 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 1zit n SER 12 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 1zit n SER 12 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1zit h ILE 13 N 0.00 1.74 -1.01 2.46 1.08 -1.97 -2.03 117.51 117.78 1zit h ILE 13 Ca 0.00 -2.20 0.28 0.00 -0.39 0.00 0.00 64.86 62.56 1zit h ILE 13 Cb 0.00 3.23 -0.05 0.00 -3.07 0.00 0.00 36.82 36.93 1zit h ILE 13 CO 0.00 0.57 0.71 0.71 -0.69 0.00 0.00 178.15 179.45 1zit h THR 14 N -0.91 0.51 0.04 -0.27 1.35 -1.90 0.33 112.91 112.06 1zit h THR 14 Ca -0.00 -0.03 -0.28 0.00 -0.55 0.00 0.00 66.41 65.55 1zit h THR 14 Cb 0.95 0.42 -0.03 0.00 -1.73 0.00 0.00 68.15 67.76 1zit h THR 14 CO 0.00 0.02 -1.50 -1.54 -0.25 0.00 0.00 175.52 172.25 1zit n SER 15 N -4.31 1.94 0.01 5.36 3.41 -1.25 -3.99 113.62 114.79 1zit n SER 15 Ca 0.22 0.36 -0.00 0.00 -0.26 0.00 0.00 58.87 59.18 1zit n SER 15 Cb 1.02 -0.94 -0.00 0.00 -0.26 0.00 0.00 64.21 64.03 1zit n SER 15 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1zit h SER 16 N -0.68 -0.02 -0.97 4.04 0.87 -0.67 -3.27 113.55 112.86 1zit h SER 16 Ca -0.38 0.00 0.23 0.00 -1.23 0.00 0.00 61.79 60.42 1zit h SER 16 Cb 1.53 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 63.31 1zit h SER 16 CO -0.12 0.01 -0.09 0.25 -0.53 0.00 0.00 176.83 176.35 1zit h LEU 17 N -0.06 -0.65 -0.91 2.23 7.12 -0.56 0.66 115.31 123.14 1zit h LEU 17 Ca -0.00 0.28 0.17 0.00 0.13 0.00 0.00 57.88 58.46 1zit h LEU 17 Cb 0.02 0.53 -0.10 0.00 -0.53 0.00 0.00 40.66 40.57 1zit h LEU 17 CO 0.00 -0.33 0.49 -1.28 -0.13 0.00 0.00 178.44 177.19 1zit h SER 18 N 0.01 0.58 -0.40 1.25 0.87 -1.67 0.55 113.55 114.75 1zit h SER 18 Ca 0.54 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 61.19 1zit h SER 18 Cb 0.99 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.94 1zit h SER 18 CO -0.94 0.20 0.23 0.00 -0.53 0.00 0.00 176.83 175.79 1zit h ALA 19 N 1.61 1.63 0.14 6.23 0.00 0.28 -1.81 119.26 127.34 1zit h ALA 19 Ca 0.52 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 1zit h ALA 19 Cb 0.80 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1zit h ALA 19 CO -0.40 0.32 -0.07 0.82 0.00 0.00 0.00 179.25 179.93 1zit h ILE 20 N 0.58 0.00 0.00 0.00 5.03 0.24 -3.13 117.51 120.22 1zit h ILE 20 Ca 0.15 -0.47 0.00 0.00 -0.12 0.00 0.00 64.86 64.42 1zit h ILE 20 Cb 0.01 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 33.80 1zit h ILE 20 CO -0.03 0.00 0.16 0.00 -0.68 0.00 0.00 178.15 177.61 1zit n LEU 21 N -3.82 0.30 0.08 1.44 -0.00 0.42 0.48 117.00 115.89 1zit n LEU 21 Ca -0.02 0.56 -0.00 0.00 -0.00 0.00 0.00 56.01 56.54 1zit n LEU 21 Cb 0.07 -0.55 -0.05 0.00 -0.00 0.00 0.00 43.42 42.89 1zit n LEU 21 CO 0.06 -0.66 0.05 -0.33 -0.00 0.00 0.00 177.39 176.51 1zit h GLU 22 N 0.00 0.00 0.12 1.47 5.08 -1.38 -0.59 114.58 119.29 1zit h GLU 22 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 1zit h GLU 22 Cb 0.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1zit h GLU 22 CO 0.00 0.45 -1.44 1.49 -1.00 0.00 0.00 179.01 178.51 1zit h GLU 23 N 0.00 0.26 0.01 2.33 4.81 0.09 -3.36 114.58 118.72 1zit h GLU 23 Ca -0.09 -0.45 -0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1zit h GLU 23 Cb 1.54 0.17 0.00 0.00 0.63 0.00 0.00 28.75 31.08 1zit h GLU 23 CO 0.06 1.15 -0.01 0.93 -0.73 0.00 0.00 179.01 180.42 1zit h GLU 24 N 0.07 -0.01 0.00 1.92 3.07 -1.52 -3.49 114.58 114.62 1zit h GLU 24 Ca -0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.65 1zit h GLU 24 Cb 2.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.92 1zit h GLU 24 CO 0.18 0.66 0.00 0.41 -1.40 0.00 0.00 179.01 178.86 1zit n GLY 25 N 0.79 0.49 1.79 -3.84 0.00 -1.00 -5.12 105.19 98.31 1zit n GLY 25 Ca -0.09 -0.54 -0.16 0.00 0.00 0.00 0.00 46.02 45.23 1zit n GLY 25 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1zit n TYR 26 N 0.00 0.57 -3.66 1.61 4.01 -0.26 -4.73 117.16 114.70 1zit n TYR 26 Ca 0.00 -1.24 -0.29 0.00 -0.16 0.00 0.00 57.90 56.21 1zit n TYR 26 Cb 0.00 -0.16 -0.13 0.00 -0.31 0.00 0.00 39.34 38.74 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 -1.91 1.75 -0.12 -0.72 2.46 -0.76 -4.82 115.29 111.16 1zit s HIS 27 Ca 0.00 -2.30 -0.28 0.00 0.47 0.00 0.00 55.06 52.95 1zit s HIS 27 Cb 0.00 -1.69 -0.01 0.00 -0.13 0.00 0.00 32.58 30.75 1zit s HIS 27 CO 0.00 -0.79 0.95 -1.25 -2.47 0.00 0.00 174.74 171.19 1zit s PRO 28 N 0.42 4.39 0.00 2.88 0.04 -1.24 -2.00 135.00 139.49 1zit s PRO 28 Ca 0.19 1.28 0.22 0.00 0.04 0.00 0.00 61.00 62.72 1zit s PRO 28 Cb -0.22 -3.55 0.54 0.00 0.04 0.00 0.00 34.50 31.30 1zit s PRO 28 CO -0.01 -0.32 1.46 -0.25 0.04 0.00 0.00 177.00 177.92 1zit n ASP 29 N 5.07 3.37 0.00 6.66 9.92 -0.73 -4.95 116.55 135.90 1zit n ASP 29 Ca 0.07 -1.97 0.00 0.00 -0.53 0.00 0.00 54.79 52.36 1zit n ASP 29 Cb 0.49 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.63 1zit n ASP 29 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1zit n THR 30 N 1.38 0.00 -4.18 -3.53 -2.24 -1.26 -4.71 114.28 99.74 1zit n THR 30 Ca 0.21 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.74 1zit n THR 30 Cb 0.56 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.72 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 3.48 -0.08 6.98 0.00 0.23 -4.82 121.76 127.55 1zit s ALA 31 Ca 0.00 -2.05 -0.04 0.00 0.00 0.00 0.00 51.96 49.88 1zit s ALA 31 Cb 0.00 -0.41 -0.27 0.00 0.00 0.00 0.00 23.12 22.44 1zit s ALA 31 CO 0.00 -0.09 0.51 0.87 0.00 0.00 0.00 175.76 177.05 1zit h LYS 32 N 1.53 0.24 0.00 0.00 1.57 -1.84 0.21 116.57 118.29 1zit h LYS 32 Ca -0.43 -0.41 -0.12 0.00 -1.87 0.00 0.00 60.65 57.82 1zit h LYS 32 Cb 1.25 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.70 1zit h LYS 32 CO 0.69 1.10 0.12 0.25 -0.57 0.00 0.00 179.45 181.04 1zit n THR 33 N -3.42 0.00 0.02 -0.16 -2.24 -1.26 -1.96 114.28 105.25 1zit n THR 33 Ca -0.27 -1.24 0.02 0.00 -2.27 0.00 0.00 64.05 60.30 1zit n THR 33 Cb 1.05 1.00 0.38 0.00 -2.10 0.00 0.00 70.33 70.66 1zit n THR 33 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1zit h LEU 34 N 0.00 0.44 -0.11 3.22 3.38 -1.95 0.25 115.31 120.53 1zit h LEU 34 Ca -0.30 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 1zit h LEU 34 Cb 1.18 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 1zit h LEU 34 CO 0.39 0.42 0.00 0.03 0.09 0.00 0.00 178.44 179.37 1zit h ARG 35 N 0.49 0.20 -0.01 1.13 -0.00 -1.99 -0.62 114.38 113.58 1zit h ARG 35 Ca 0.12 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.98 59.45 1zit h ARG 35 Cb 0.13 -0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.06 1zit h ARG 35 CO -0.01 0.45 -0.42 1.49 0.00 0.00 0.00 179.97 181.47 1zit h GLU 36 N -0.07 0.01 -0.11 0.04 4.22 -1.85 -2.63 114.58 114.19 1zit h GLU 36 Ca 0.03 -0.01 -0.15 0.00 0.08 0.00 0.00 59.36 59.32 1zit h GLU 36 Cb 0.36 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1zit h GLU 36 CO 0.01 0.44 -0.57 0.00 -2.18 0.00 0.00 179.01 176.70 1zit h ALA 37 N 1.56 0.82 -0.38 2.92 0.00 -0.32 -2.25 119.26 121.61 1zit h ALA 37 Ca -0.00 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 54.29 1zit h ALA 37 Cb 0.75 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1zit h ALA 37 CO 0.06 0.70 -0.13 0.93 0.00 0.00 0.00 179.25 180.80 1zit h GLU 38 N 0.26 0.76 -0.31 0.00 5.08 -0.81 0.16 114.58 119.73 1zit h GLU 38 Ca 0.00 -0.31 -0.04 0.00 -1.00 0.00 0.00 59.36 58.01 1zit h GLU 38 Cb 1.07 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 1zit h GLU 38 CO 0.09 0.92 0.03 -0.22 -1.00 0.00 0.00 179.01 178.84 1zit h LYS 39 N 0.56 0.45 -0.00 2.33 3.11 -1.39 0.57 116.57 122.20 1zit h LYS 39 Ca 0.09 -0.08 -0.19 0.00 -2.81 0.00 0.00 60.65 57.66 1zit h LYS 39 Cb 0.66 -0.08 0.02 0.00 -1.00 0.00 0.00 32.23 31.83 1zit h LYS 39 CO 0.05 0.46 -0.75 0.87 -2.81 0.00 0.00 179.45 177.26 1zit h LYS 40 N 0.44 0.51 0.00 1.90 1.79 -1.10 -3.25 116.57 116.87 1zit h LYS 40 Ca 0.10 -0.55 -0.09 0.00 -2.18 0.00 0.00 60.65 57.93 1zit h LYS 40 Cb 0.24 0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.03 1zit h LYS 40 CO 0.00 1.18 -0.43 0.82 -1.08 0.00 0.00 179.45 179.94 1zit h ILE 41 N 0.07 1.01 -0.51 1.86 2.04 -0.34 0.19 117.51 121.82 1zit h ILE 41 Ca -0.09 -1.68 0.15 0.00 1.00 0.00 0.00 64.86 64.24 1zit h ILE 41 Cb 1.44 1.99 -0.02 0.00 -0.74 0.00 0.00 36.82 39.49 1zit h ILE 41 CO 0.15 0.43 0.49 0.50 0.00 0.00 0.00 178.15 179.71 1zit h LYS 42 N 0.00 0.00 0.00 2.37 3.64 0.12 -3.19 116.57 119.51 1zit h LYS 42 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1zit h LYS 42 Cb 0.96 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1zit h LYS 42 CO 0.06 0.00 -0.89 0.39 -2.27 0.00 0.00 179.45 176.74 1zit n GLU 43 N -3.84 0.00 -3.03 1.90 1.02 -1.16 -5.04 120.64 110.48 1zit n GLU 43 Ca 0.10 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.84 1zit n GLU 43 Cb 0.69 -0.82 -0.06 0.00 -0.02 0.00 0.00 31.44 31.24 1zit n GLU 43 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1zit s LEU 44 N -5.05 4.58 -0.48 -4.62 1.98 0.64 -5.04 118.68 110.69 1zit s LEU 44 Ca 0.00 1.57 -0.12 0.00 -2.89 0.00 0.00 54.13 52.69 1zit s LEU 44 Cb 0.00 -3.22 0.11 0.00 0.66 0.00 0.00 46.19 43.73 1zit s LEU 44 CO 0.00 0.22 0.38 0.12 -1.89 0.00 0.00 176.35 175.18 1zit s PHE 45 N -1.11 3.33 -0.27 5.38 2.19 -1.26 -4.11 117.98 122.13 1zit s PHE 45 Ca 0.35 -1.48 -0.16 0.00 0.33 0.00 0.00 56.93 55.97 1zit s PHE 45 Cb -0.22 -3.41 -0.03 0.00 -1.31 0.00 0.00 43.02 38.04 1zit s PHE 45 CO 0.25 -0.94 0.41 -0.06 1.83 0.00 0.00 175.22 176.71 1zit s PHE 46 N 1.49 3.25 -0.78 10.12 0.08 -1.26 -4.94 117.98 125.94 1zit s PHE 46 Ca 0.04 0.47 0.22 0.00 0.12 0.00 0.00 56.93 57.78 1zit s PHE 46 Cb -0.26 -2.61 0.89 0.00 -0.57 0.00 0.00 43.02 40.46 1zit s PHE 46 CO 0.02 -0.24 1.69 -0.35 -0.10 0.00 0.00 175.22 176.24 1zit n PRO 47 N 5.37 0.11 -3.71 0.24 -0.04 -1.25 -4.57 135.00 131.16 1zit n PRO 47 Ca -0.07 0.25 -0.12 0.00 -0.04 0.00 0.00 63.50 63.52 1zit n PRO 47 Cb 0.50 -1.68 -0.10 0.00 -0.04 0.00 0.00 33.50 32.19 1zit n PRO 47 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1zit s VAL 48 N -3.12 -0.01 0.30 0.52 1.01 -1.24 0.12 120.40 117.97 1zit s VAL 48 Ca 0.08 0.04 0.10 0.00 0.00 0.00 0.00 61.98 62.20 1zit s VAL 48 Cb 0.12 -0.61 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 1zit s VAL 48 CO 0.42 0.02 -0.04 -0.63 0.00 0.00 0.00 175.10 174.86 1zit s ILE 49 N 0.81 2.90 -0.34 2.22 -1.09 0.24 0.92 121.20 126.87 1zit s ILE 49 Ca -0.05 -2.05 0.02 0.00 -2.23 0.00 0.00 60.65 56.34 1zit s ILE 49 Cb -0.06 -2.69 0.15 0.00 -1.58 0.00 0.00 42.46 38.28 1zit s ILE 49 CO -0.06 -0.31 0.39 -0.69 -1.23 0.00 0.00 174.94 173.03 1zit s VAL 50 N -2.44 -0.47 0.88 2.92 1.01 0.46 -2.43 120.40 120.33 1zit s VAL 50 Ca 0.32 -0.65 -0.13 0.00 0.00 0.00 0.00 61.98 61.53 1zit s VAL 50 Cb -0.04 -0.77 0.12 0.00 0.00 0.00 0.00 36.38 35.70 1zit s VAL 50 CO 0.19 -0.45 1.18 -0.22 0.00 0.00 0.00 175.10 175.79 1zit s LEU 51 N 1.92 2.26 0.00 3.92 2.96 -1.26 -0.72 118.68 127.76 1zit s LEU 51 Ca 0.14 0.80 0.00 0.00 -0.22 0.00 0.00 54.13 54.84 1zit s LEU 51 Cb -0.13 -3.15 0.00 0.00 0.50 0.00 0.00 46.19 43.41 1zit s LEU 51 CO -0.16 -2.33 0.00 -0.67 -1.32 0.00 0.00 176.35 171.86 1zit n ASP 52 N -3.60 0.02 -2.64 3.68 2.03 -0.95 -2.05 116.55 113.05 1zit n ASP 52 Ca 0.08 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.23 1zit n ASP 52 Cb 0.60 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 41.06 1zit n ASP 52 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1zit n VAL 53 N -2.16 -2.14 0.00 5.18 0.31 -1.26 -3.77 118.33 114.50 1zit n VAL 53 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1zit n VAL 53 Cb 0.01 -3.26 0.00 0.00 -0.91 0.00 0.00 33.84 29.68 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 -4.19 0.00 -2.72 3.52 -0.00 -1.26 -4.70 117.44 108.09 1zit n TRP 54 Ca -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.41 1zit n TRP 54 Cb 0.54 -0.05 0.06 0.00 -0.00 0.00 0.00 31.31 31.86 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 -0.71 1.14 0.00 5.87 2.81 -1.26 -5.05 117.12 119.91 1zit n MET 55 Ca 0.00 -2.69 0.00 0.00 -1.81 0.00 0.00 57.70 53.20 1zit n MET 55 Cb 0.00 -0.85 0.00 0.00 -0.71 0.00 0.00 33.22 31.66 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 -0.20 2.53 -2.50 0.03 -0.05 -1.26 -5.01 135.00 128.54 1zit n PRO 56 Ca 0.06 0.00 -0.01 0.00 -0.05 0.00 0.00 63.50 63.50 1zit n PRO 56 Cb 0.81 0.00 0.07 0.00 -0.05 0.00 0.00 33.50 34.33 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 0.23 -4.35 3.54 8.00 -1.26 -5.12 116.55 117.59 1zit n ASP 57 Ca 0.00 -2.09 -0.18 0.00 0.71 0.00 0.00 54.79 53.23 1zit n ASP 57 Cb 0.00 0.02 -0.10 0.00 -0.02 0.00 0.00 41.12 41.01 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 -2.46 1.77 -0.34 0.44 0.00 -1.26 -5.13 107.32 100.35 1zit s GLY 58 Ca 0.19 -1.89 -0.08 0.00 0.00 0.00 0.00 44.72 42.94 1zit s GLY 58 CO -0.08 -1.67 0.14 0.99 0.00 0.00 0.00 173.10 172.48 1zit s ASP 59 N -3.35 5.45 0.38 1.64 1.01 -1.26 -4.95 116.67 115.59 1zit s ASP 59 Ca 0.35 -0.94 0.23 0.00 0.71 0.00 0.00 52.55 52.90 1zit s ASP 59 Cb 0.08 -1.94 0.34 0.00 1.01 0.00 0.00 42.92 42.41 1zit s ASP 59 CO 0.13 -0.31 1.55 1.23 0.21 0.00 0.00 175.17 177.98 1zit h GLY 60 N 8.31 0.00 0.31 0.21 0.00 -2.00 -3.30 103.07 106.60 1zit h GLY 60 Ca -0.27 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.14 1zit h GLY 60 CO 0.63 0.00 -0.00 -2.08 0.00 0.00 0.00 176.54 175.08 1zit h VAL 61 N 0.00 0.68 0.00 4.60 2.07 -1.92 -0.23 116.25 121.44 1zit h VAL 61 Ca 0.00 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1zit h VAL 61 Cb 0.97 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1zit h VAL 61 CO 0.00 0.02 -0.05 -3.20 0.02 0.00 0.00 177.57 174.36 1zit n ASN 62 N -5.21 0.69 -0.02 0.57 2.85 -1.25 -3.57 115.26 109.32 1zit n ASN 62 Ca 0.03 0.53 -0.12 0.00 -0.11 0.00 0.00 54.58 54.90 1zit n ASN 62 Cb 0.22 -0.68 0.00 0.00 1.24 0.00 0.00 39.78 40.57 1zit n ASN 62 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 1zit h PHE 63 N 0.00 0.85 -1.08 1.20 3.57 -1.14 -3.11 116.94 117.24 1zit h PHE 63 Ca 0.00 -0.32 0.31 0.00 3.53 0.00 0.00 57.97 61.49 1zit h PHE 63 Cb 0.70 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.25 1zit h PHE 63 CO 0.00 1.10 0.84 0.82 -2.23 0.00 0.00 178.31 178.85 1zit h ILE 64 N 0.50 0.35 0.05 1.41 2.04 -1.46 0.91 117.51 121.30 1zit h ILE 64 Ca -0.00 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.62 1zit h ILE 64 Cb 1.19 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1zit h ILE 64 CO 0.12 0.00 -1.03 -0.78 0.00 0.00 0.00 178.15 176.46 1zit h ASP 65 N 0.00 0.38 -0.87 1.72 3.58 -1.77 -3.21 116.42 116.25 1zit h ASP 65 Ca 0.51 -0.35 0.01 0.00 0.42 0.00 0.00 57.03 57.62 1zit h ASP 65 Cb 2.19 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 43.08 1zit h ASP 65 CO -0.01 1.19 0.57 0.15 -2.88 0.00 0.00 179.24 178.27 1zit h PHE 66 N 0.13 1.10 -0.40 0.28 3.57 0.75 0.92 116.94 123.29 1zit h PHE 66 Ca -0.08 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1zit h PHE 66 Cb 1.70 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 40.05 1zit h PHE 66 CO 0.05 0.70 0.26 0.82 -2.23 0.00 0.00 178.31 177.90 1zit h ILE 67 N 1.18 1.11 0.00 1.41 5.03 -1.46 -1.84 117.51 122.95 1zit h ILE 67 Ca 0.32 -0.23 -0.08 0.00 -0.12 0.00 0.00 64.86 64.75 1zit h ILE 67 Cb -0.13 0.55 -0.01 0.00 -3.03 0.00 0.00 36.82 34.20 1zit h ILE 67 CO -0.07 0.11 -0.38 0.11 -0.68 0.00 0.00 178.15 177.24 1zit h LYS 68 N 0.53 0.00 -0.26 2.37 1.57 -1.42 0.81 116.57 120.17 1zit h LYS 68 Ca 0.14 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 1zit h LYS 68 Cb -0.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1zit h LYS 68 CO -0.03 0.38 -0.08 1.49 -0.57 0.00 0.00 179.45 180.64 1zit h GLU 69 N 0.00 0.42 0.00 3.15 4.81 0.15 -3.20 114.58 119.91 1zit h GLU 69 Ca -0.00 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1zit h GLU 69 Cb 1.19 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1zit h GLU 69 CO 0.05 0.51 -0.21 0.27 -0.73 0.00 0.00 179.01 178.90 1zit n ASN 70 N -4.25 1.02 -2.72 1.04 0.23 -0.76 -4.90 115.26 104.93 1zit n ASN 70 Ca 0.00 -2.23 -0.07 0.00 -0.53 0.00 0.00 54.58 51.76 1zit n ASN 70 Cb 0.28 -0.23 0.06 0.00 -2.08 0.00 0.00 39.78 37.81 1zit n ASN 70 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1zit n SER 71 N -0.54 -2.26 0.25 0.53 7.64 0.28 -4.98 113.62 114.53 1zit n SER 71 Ca 0.05 -2.69 0.16 0.00 1.01 0.00 0.00 58.87 57.40 1zit n SER 71 Cb 0.60 1.38 0.64 0.00 -1.01 0.00 0.00 64.21 65.83 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 3.66 0.00 -1.00 1.43 0.11 -1.67 -2.80 132.00 131.73 1zit h PRO 72 Ca -0.18 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.43 1zit h PRO 72 Cb 1.10 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 31.92 1zit h PRO 72 CO 0.12 0.00 0.63 -3.47 -0.21 0.00 0.00 178.00 175.07 1zit n ASP 73 N -2.90 3.87 -0.42 -2.05 2.03 -1.26 -4.93 116.55 110.90 1zit n ASP 73 Ca 0.01 -3.53 0.00 0.00 0.52 0.00 0.00 54.79 51.79 1zit n ASP 73 Cb 0.29 -0.83 0.00 0.00 -0.72 0.00 0.00 41.12 39.86 1zit n ASP 73 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1zit n SER 74 N -1.05 1.47 -3.69 1.67 2.88 -1.06 -4.65 113.62 109.20 1zit n SER 74 Ca 0.57 -0.21 -0.12 0.00 -1.33 0.00 0.00 58.87 57.78 1zit n SER 74 Cb 1.57 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 64.94 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 0.90 -0.01 -0.33 2.46 1.01 0.32 -4.83 120.40 119.93 1zit s VAL 75 Ca 0.00 0.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.95 1zit s VAL 75 Cb 0.00 -0.73 0.04 0.00 0.00 0.00 0.00 36.38 35.69 1zit s VAL 75 CO 0.00 0.01 0.08 -0.69 0.00 0.00 0.00 175.10 174.50 1zit s VAL 76 N 0.70 3.65 -0.51 2.92 1.01 -1.26 0.82 120.40 127.72 1zit s VAL 76 Ca -0.03 -1.12 0.03 0.00 0.00 0.00 0.00 61.98 60.85 1zit s VAL 76 Cb -0.05 -3.05 0.43 0.00 0.00 0.00 0.00 36.38 33.72 1zit s VAL 76 CO -0.05 -0.13 1.55 -0.38 0.00 0.00 0.00 175.10 176.09 1zit n ILE 77 N 4.78 2.99 -1.71 2.22 2.08 -1.02 -1.93 119.36 126.77 1zit n ILE 77 Ca -0.13 -3.98 -0.63 0.00 0.56 0.00 0.00 62.75 58.57 1zit n ILE 77 Cb 0.45 -1.18 -0.09 0.00 -0.75 0.00 0.00 39.64 38.07 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 -0.70 0.12 -4.36 1.39 0.31 -1.26 -4.36 118.33 109.45 1zit n VAL 78 Ca 0.50 -0.02 -0.28 0.00 -0.01 0.00 0.00 64.34 64.54 1zit n VAL 78 Cb 0.71 -0.75 -0.13 0.00 -0.91 0.00 0.00 33.84 32.76 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 2.88 2.12 0.23 2.52 1.01 -0.87 -3.54 121.20 125.55 1zit s ILE 79 Ca 1.01 -1.71 -0.19 0.00 0.00 0.00 0.00 60.65 59.75 1zit s ILE 79 Cb -1.30 -1.89 0.03 0.00 0.01 0.00 0.00 42.46 39.31 1zit s ILE 79 CO 0.73 0.05 0.61 0.42 0.00 0.00 0.00 174.94 176.74 1zit s THR 80 N -1.10 0.01 -0.51 2.92 -4.23 -1.25 -2.52 115.64 108.96 1zit s THR 80 Ca 0.12 -0.78 0.07 0.00 -1.18 0.00 0.00 61.69 59.92 1zit s THR 80 Cb -0.10 -1.69 0.29 0.00 1.34 0.00 0.00 72.50 72.34 1zit s THR 80 CO 0.06 -0.04 0.73 0.61 -0.54 0.00 0.00 174.62 175.44 1zit n GLY 81 N -0.40 4.29 0.09 3.99 0.00 -1.26 -4.61 105.19 107.29 1zit n GLY 81 Ca -0.08 -2.27 -0.10 0.00 0.00 0.00 0.00 46.02 43.57 1zit n GLY 81 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1zit n HIS 82 N 0.63 0.64 -1.02 1.61 -0.00 -1.26 -4.99 115.22 110.83 1zit n HIS 82 Ca 0.27 0.23 -0.00 0.00 0.46 0.00 0.00 57.72 58.67 1zit n HIS 82 Cb 0.48 -1.12 -0.00 0.00 -0.12 0.00 0.00 29.99 29.23 1zit n HIS 82 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1zit n GLY 83 N 1.65 0.40 0.01 1.57 0.00 -1.26 -4.90 105.19 102.66 1zit n GLY 83 Ca -0.24 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1zit n GLY 83 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1zit n SER 84 N 1.96 0.31 -2.71 1.61 7.64 -1.26 -5.00 113.62 116.17 1zit n SER 84 Ca -0.00 -0.65 -0.08 0.00 1.01 0.00 0.00 58.87 59.15 1zit n SER 84 Cb 0.02 0.75 -0.01 0.00 -1.01 0.00 0.00 64.21 63.96 1zit n SER 84 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1zit n VAL 85 N -0.75 -0.19 0.42 0.44 0.24 -1.26 -4.72 118.33 112.50 1zit n VAL 85 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.35 1zit n VAL 85 Cb 0.02 -0.54 -0.05 0.00 -1.47 0.00 0.00 33.84 31.80 1zit n VAL 85 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1zit n ASP 86 N -1.70 0.52 0.01 -1.34 5.68 -1.26 -4.41 116.55 114.05 1zit n ASP 86 Ca -0.02 -0.69 -0.17 0.00 -0.50 0.00 0.00 54.79 53.40 1zit n ASP 86 Cb 0.52 1.02 -0.14 0.00 -1.14 0.00 0.00 41.12 41.38 1zit n ASP 86 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1zit h THR 87 N 0.00 0.76 0.62 2.12 1.03 -1.98 -3.24 112.91 112.22 1zit h THR 87 Ca 0.00 -2.51 -0.02 0.00 -0.01 0.00 0.00 66.41 63.87 1zit h THR 87 Cb 0.23 2.52 -0.01 0.00 -1.07 0.00 0.00 68.15 69.82 1zit h THR 87 CO 0.00 0.77 -0.42 0.00 -0.01 0.00 0.00 175.52 175.86 1zit h ALA 88 N 0.40 -1.03 -0.35 0.00 0.00 -1.95 0.21 119.26 116.55 1zit h ALA 88 Ca -0.36 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.45 1zit h ALA 88 Cb 2.03 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 20.34 1zit h ALA 88 CO 0.10 -1.10 0.32 -0.39 0.00 0.00 0.00 179.25 178.18 1zit h VAL 89 N -0.99 0.54 0.00 0.00 -1.51 -1.77 0.94 116.25 113.45 1zit h VAL 89 Ca -0.08 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.39 1zit h VAL 89 Cb 0.82 0.76 -0.00 0.00 -2.13 0.00 0.00 31.29 30.73 1zit h VAL 89 CO 0.05 0.00 -0.25 0.50 -1.23 0.00 0.00 177.57 176.64 1zit h LYS 90 N 0.00 0.00 0.00 5.19 3.64 -1.26 -2.98 116.57 121.16 1zit h LYS 90 Ca 0.16 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 59.16 1zit h LYS 90 Cb 0.80 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.55 1zit h LYS 90 CO -0.00 0.03 -2.44 0.00 -2.27 0.00 0.00 179.45 174.77 1zit n ALA 91 N -2.13 1.45 0.12 5.00 0.00 0.14 -4.30 120.51 120.79 1zit n ALA 91 Ca 0.03 -1.08 -0.01 0.00 0.00 0.00 0.00 53.44 52.39 1zit n ALA 91 Cb 0.55 -0.08 0.26 0.00 0.00 0.00 0.00 19.45 20.19 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 -0.03 1.31 0.00 0.00 3.07 0.49 -2.54 117.51 119.81 1zit h ILE 92 Ca -0.57 -1.49 -0.04 0.00 1.55 0.00 0.00 64.86 64.32 1zit h ILE 92 Cb 1.87 1.71 -0.01 0.00 -0.27 0.00 0.00 36.82 40.12 1zit h ILE 92 CO -0.10 0.44 -0.18 0.50 -1.05 0.00 0.00 178.15 177.76 1zit h LYS 93 N 0.13 0.00 0.31 0.16 3.64 -1.70 -3.10 116.57 116.00 1zit h LYS 93 Ca 0.01 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1zit h LYS 93 Cb 0.78 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1zit h LYS 93 CO 0.06 0.18 -0.15 0.87 -2.27 0.00 0.00 179.45 178.14 1zit h LYS 94 N 0.00 -0.40 0.00 1.90 1.79 -1.64 -3.46 116.57 114.76 1zit h LYS 94 Ca -0.00 0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 1zit h LYS 94 Cb 0.42 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 1zit h LYS 94 CO 0.02 -0.24 -0.02 0.41 -1.08 0.00 0.00 179.45 178.55 1zit n GLY 95 N 0.70 -0.48 0.00 3.86 0.00 -1.17 -4.91 105.19 103.18 1zit n GLY 95 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.01 0.00 -0.02 4.61 0.00 -1.18 -4.59 120.51 119.32 1zit n ALA 96 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.47 1zit n ALA 96 Cb 0.31 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.70 0.00 0.00 0.00 9.36 -0.81 -4.86 117.16 120.15 1zit n TYR 97 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1zit n TYR 97 Cb 0.00 -0.44 0.00 0.00 -0.63 0.00 0.00 39.34 38.27 1zit n TYR 97 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 1zit n GLU 98 N -2.16 0.00 -1.33 2.98 0.28 -1.26 -5.10 120.64 114.05 1zit n GLU 98 Ca -0.07 0.00 0.16 0.00 -0.16 0.00 0.00 57.16 57.09 1zit n GLU 98 Cb 0.54 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.33 1zit n GLU 98 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1zit n PHE 99 N 0.00 -3.53 -3.57 -1.84 7.35 -1.26 -4.72 117.46 109.89 1zit n PHE 99 Ca 0.00 1.92 -0.40 0.00 -0.76 0.00 0.00 57.45 58.20 1zit n PHE 99 Cb 0.00 -3.21 -0.08 0.00 0.35 0.00 0.00 39.48 36.54 1zit n PHE 99 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1zit s LEU 100 N -7.02 5.72 0.99 -2.13 1.98 -1.23 -4.99 118.68 111.99 1zit s LEU 100 Ca 0.00 -2.19 -0.11 0.00 -2.89 0.00 0.00 54.13 48.93 1zit s LEU 100 Cb 0.00 -1.99 0.18 0.00 0.66 0.00 0.00 46.19 45.04 1zit s LEU 100 CO 0.00 -0.61 1.09 -1.83 -1.89 0.00 0.00 176.35 173.11 1zit s GLU 101 N 0.94 0.49 -0.84 1.98 -1.05 -1.26 -4.23 118.70 114.73 1zit s GLU 101 Ca 0.09 1.06 -0.04 0.00 -0.15 0.00 0.00 54.97 55.93 1zit s GLU 101 Cb -0.23 -1.70 -0.05 0.00 -0.44 0.00 0.00 34.13 31.71 1zit s GLU 101 CO -0.02 -2.84 0.73 1.63 0.95 0.00 0.00 175.26 175.71 1zit n LYS 102 N -4.32 -2.21 -0.68 -4.83 4.01 -1.26 -4.83 118.16 104.04 1zit n LYS 102 Ca 0.07 0.68 -0.26 0.00 -0.51 0.00 0.00 58.31 58.29 1zit n LYS 102 Cb 0.54 -4.94 -0.04 0.00 -0.51 0.00 0.00 35.03 30.08 1zit n LYS 102 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 1zit n PRO 103 N -2.94 1.26 0.11 1.97 -0.02 -1.26 -3.73 135.00 130.39 1zit n PRO 103 Ca -0.08 -1.32 0.00 0.00 -2.02 0.00 0.00 63.50 60.08 1zit n PRO 103 Cb 0.60 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1zit n PRO 103 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1zit n PHE 104 N 5.85 -1.90 -3.72 6.00 3.01 -1.26 -4.89 117.46 120.56 1zit n PHE 104 Ca 0.37 0.33 -0.37 0.00 1.01 0.00 0.00 57.45 58.80 1zit n PHE 104 Cb 0.21 0.50 -0.07 0.00 -0.01 0.00 0.00 39.48 40.12 1zit n PHE 104 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1zit s SER 105 N -4.96 6.45 0.06 4.37 1.04 -1.24 -5.00 113.70 114.42 1zit s SER 105 Ca 0.00 0.53 -0.06 0.00 0.48 0.00 0.00 55.95 56.90 1zit s SER 105 Cb 0.00 -2.13 -0.30 0.00 0.10 0.00 0.00 66.02 63.69 1zit s SER 105 CO 0.00 0.30 1.10 1.62 0.98 0.00 0.00 173.24 177.24 1zit h VAL 106 N 4.18 1.45 -0.95 5.02 3.04 -1.99 -3.31 116.25 123.69 1zit h VAL 106 Ca -0.49 -2.99 0.27 0.00 -1.01 0.00 0.00 66.70 62.47 1zit h VAL 106 Cb 1.20 2.96 -0.14 0.00 -2.01 0.00 0.00 31.29 33.30 1zit h VAL 106 CO 0.65 0.88 0.44 -0.08 -1.01 0.00 0.00 177.57 178.45 1zit h GLU 107 N 0.09 0.32 -0.36 4.17 4.81 -2.00 1.09 114.58 122.70 1zit h GLU 107 Ca -0.16 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.00 1zit h GLU 107 Cb 2.01 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 31.30 1zit h GLU 107 CO 0.21 0.21 0.01 -0.09 -0.73 0.00 0.00 179.01 178.62 1zit h ARG 108 N 0.33 0.56 0.00 1.92 9.65 -1.97 -1.85 114.38 123.02 1zit h ARG 108 Ca 0.64 -0.12 -0.08 0.00 -1.10 0.00 0.00 59.98 59.32 1zit h ARG 108 Cb 1.35 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.84 1zit h ARG 108 CO -0.59 0.58 -0.36 0.35 2.80 0.00 0.00 179.97 182.75 1zit h PHE 109 N 0.54 0.00 -0.86 2.20 3.57 0.11 -3.01 116.94 119.48 1zit h PHE 109 Ca 0.12 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.79 1zit h PHE 109 Cb 0.34 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 38.97 1zit h PHE 109 CO 0.01 0.36 0.41 1.25 -2.23 0.00 0.00 178.31 178.12 1zit h LEU 110 N 0.00 0.44 0.34 0.59 6.46 -0.36 -1.84 115.31 120.94 1zit h LEU 110 Ca -0.00 0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.87 1zit h LEU 110 Cb 0.68 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.64 1zit h LEU 110 CO 0.05 0.14 -0.33 -0.07 -0.62 0.00 0.00 178.44 177.60 1zit h LEU 111 N 0.53 -0.90 -0.87 2.25 4.07 -1.63 -2.43 115.31 116.34 1zit h LEU 111 Ca 0.49 0.08 0.22 0.00 0.08 0.00 0.00 57.88 58.76 1zit h LEU 111 Cb 0.80 0.30 -0.13 0.00 1.08 0.00 0.00 40.66 42.71 1zit h LEU 111 CO -0.42 -0.47 0.28 0.74 -1.08 0.00 0.00 178.44 177.49 1zit h THR 112 N -0.69 0.38 0.02 0.22 2.02 -1.48 0.26 112.91 113.63 1zit h THR 112 Ca -0.02 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 1zit h THR 112 Cb 0.63 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1zit h THR 112 CO -0.06 0.05 -0.03 0.40 0.37 0.00 0.00 175.52 176.25 1zit h ILE 113 N 0.27 0.00 0.00 3.11 1.08 -1.11 0.98 117.51 121.84 1zit h ILE 113 Ca 0.54 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 65.01 1zit h ILE 113 Cb 1.06 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.81 1zit h ILE 113 CO -0.60 0.00 0.23 0.50 -0.69 0.00 0.00 178.15 177.59 1zit h LYS 114 N -0.05 0.00 0.00 2.37 3.11 -1.12 0.83 116.57 121.71 1zit h LYS 114 Ca -0.00 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.80 1zit h LYS 114 Cb 0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.27 1zit h LYS 114 CO -0.00 0.00 -1.07 0.45 -2.81 0.00 0.00 179.45 176.02 1zit h HIS 115 N 0.00 0.00 0.13 1.91 3.86 0.62 -3.10 115.15 118.57 1zit h HIS 115 Ca 0.00 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.88 1zit h HIS 115 Cb 0.46 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 1zit h HIS 115 CO 0.00 0.12 -1.71 0.00 0.86 0.00 0.00 177.93 177.21 1zit h ALA 116 N 1.88 0.31 -0.17 2.45 0.00 0.79 -2.97 119.26 121.55 1zit h ALA 116 Ca -0.03 -1.21 -0.21 0.00 0.00 0.00 0.00 54.91 53.45 1zit h ALA 116 Cb 1.12 0.44 0.01 0.00 0.00 0.00 0.00 17.79 19.36 1zit h ALA 116 CO 0.01 1.18 -0.74 0.74 0.00 0.00 0.00 179.25 180.44 1zit h PHE 117 N 0.08 1.02 0.00 0.00 0.04 -1.29 -3.18 116.94 113.59 1zit h PHE 117 Ca -0.31 -0.43 -0.12 0.00 2.80 0.00 0.00 57.97 59.90 1zit h PHE 117 Cb 2.05 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 40.02 1zit h PHE 117 CO 0.07 1.26 -0.57 0.93 -0.60 0.00 0.00 178.31 179.40 1zit h GLU 118 N 0.53 0.00 0.00 1.51 5.08 -1.69 -2.78 114.58 117.22 1zit h GLU 118 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1zit h GLU 118 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1zit h GLU 118 CO 0.15 0.57 0.00 0.39 -1.00 0.00 0.00 179.01 179.12 1zit n GLU 119 N -3.60 0.31 -1.55 2.33 1.02 -1.12 -3.10 120.64 114.93 1zit n GLU 119 Ca -0.00 0.08 0.03 0.00 -0.02 0.00 0.00 57.16 57.25 1zit n GLU 119 Cb 0.63 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.59 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 -1.29 0.18 -0.18 -0.32 4.19 -1.10 -5.07 117.16 113.57 1zit n TYR 120 Ca 0.10 -0.81 0.00 0.00 3.31 0.00 0.00 57.90 60.50 1zit n TYR 120 Cb 0.18 -0.17 0.00 0.00 0.49 0.00 0.00 39.34 39.83 1zit n TYR 120 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20