#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 0.19 -0.32 0.03 -0.14 -1.26 -5.03 119.74 113.21 1zit s LYS 2 Ca 0.00 -0.08 -0.10 0.00 -1.36 0.00 0.00 55.97 54.43 1zit s LYS 2 Cb 0.00 -0.18 0.19 0.00 -1.68 0.00 0.00 37.83 36.15 1zit s LYS 2 CO 0.00 0.05 1.05 -0.98 -0.76 0.00 0.00 175.35 174.71 1zit s ARG 3 N -0.05 0.17 0.67 1.68 3.03 -1.26 -2.84 118.95 120.35 1zit s ARG 3 Ca 0.01 -0.00 -0.11 0.00 2.03 0.00 0.00 55.73 57.66 1zit s ARG 3 Cb -0.01 0.03 -0.01 0.00 -1.03 0.00 0.00 34.95 33.94 1zit s ARG 3 CO -0.00 -0.26 1.05 0.08 -1.13 0.00 0.00 175.30 175.04 1zit s VAL 4 N 2.27 4.24 -0.07 4.99 1.01 -1.12 -3.90 120.40 127.82 1zit s VAL 4 Ca 0.19 0.73 0.04 0.00 0.00 0.00 0.00 61.98 62.94 1zit s VAL 4 Cb 0.02 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 1zit s VAL 4 CO -0.17 -0.95 -0.19 -0.22 0.00 0.00 0.00 175.10 173.56 1zit s LEU 5 N -5.39 2.40 -0.56 3.92 2.96 0.19 -1.99 118.68 120.20 1zit s LEU 5 Ca 0.57 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 54.10 1zit s LEU 5 Cb -0.13 -1.48 0.14 0.00 0.50 0.00 0.00 46.19 45.23 1zit s LEU 5 CO 0.54 0.25 0.34 -0.69 -1.32 0.00 0.00 176.35 175.47 1zit s VAL 6 N -0.17 3.13 -0.23 1.68 1.01 0.18 0.80 120.40 126.79 1zit s VAL 6 Ca -0.02 -3.11 -0.21 0.00 0.00 0.00 0.00 61.98 58.64 1zit s VAL 6 Cb -0.14 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 1zit s VAL 6 CO 0.03 -0.83 0.65 -0.69 0.00 0.00 0.00 175.10 174.27 1zit s VAL 7 N -0.13 4.98 -0.21 2.92 1.01 0.24 0.20 120.40 129.40 1zit s VAL 7 Ca 0.17 1.21 -0.22 0.00 0.00 0.00 0.00 61.98 63.13 1zit s VAL 7 Cb -0.23 -3.96 0.06 0.00 0.00 0.00 0.00 36.38 32.25 1zit s VAL 7 CO -0.02 0.05 0.62 -0.62 0.00 0.00 0.00 175.10 175.13 1zit s ASP 8 N 1.34 -0.64 -0.39 3.32 2.15 -1.15 0.11 116.67 121.42 1zit s ASP 8 Ca 0.28 1.18 -0.04 0.00 0.43 0.00 0.00 52.55 54.40 1zit s ASP 8 Cb -0.16 1.18 0.05 0.00 -0.30 0.00 0.00 42.92 43.70 1zit s ASP 8 CO 0.09 -0.26 2.77 -0.67 -0.17 0.00 0.00 175.17 176.93 1zit n ASP 9 N 2.54 6.35 -3.61 -0.34 2.03 -1.25 -3.72 116.55 118.55 1zit n ASP 9 Ca -0.14 -3.12 -0.01 0.00 0.52 0.00 0.00 54.79 52.03 1zit n ASP 9 Cb 0.56 -1.23 -0.01 0.00 -0.72 0.00 0.00 41.12 39.71 1zit n ASP 9 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1zit s GLU 10 N -1.46 0.24 -0.59 -0.67 2.56 -1.26 -4.48 118.70 113.04 1zit s GLU 10 Ca 0.56 -0.11 0.01 0.00 0.00 0.00 0.00 54.97 55.43 1zit s GLU 10 Cb 0.36 0.10 0.43 0.00 2.00 0.00 0.00 34.13 37.02 1zit s GLU 10 CO -0.18 -0.11 1.71 0.39 -0.56 0.00 0.00 175.26 176.51 1zit n GLU 11 N -0.23 3.03 0.00 4.30 -0.58 -1.26 -4.68 120.64 121.22 1zit n GLU 11 Ca -0.02 -3.71 0.00 0.00 -0.42 0.00 0.00 57.16 53.00 1zit n GLU 11 Cb 0.60 -2.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.19 1zit n GLU 11 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1zit n SER 12 N -0.73 0.00 -0.35 1.62 3.41 -1.26 -4.38 113.62 111.93 1zit n SER 12 Ca 0.53 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 59.21 1zit n SER 12 Cb 0.64 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.82 1zit n SER 12 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1zit h ILE 13 N 0.00 0.91 -0.85 -1.33 1.08 -1.99 -2.17 117.51 113.16 1zit h ILE 13 Ca 0.00 -0.33 0.21 0.00 -0.39 0.00 0.00 64.86 64.36 1zit h ILE 13 Cb 0.00 -0.13 -0.15 0.00 -3.07 0.00 0.00 36.82 33.48 1zit h ILE 13 CO 0.00 0.17 0.07 0.71 -0.69 0.00 0.00 178.15 178.41 1zit h THR 14 N 0.95 0.25 0.00 -0.27 1.35 -1.83 1.27 112.91 114.62 1zit h THR 14 Ca 0.48 -0.04 -0.05 0.00 -0.55 0.00 0.00 66.41 66.26 1zit h THR 14 Cb 0.49 0.13 -0.01 0.00 -1.73 0.00 0.00 68.15 67.03 1zit h THR 14 CO -0.27 0.02 -0.25 -1.28 -0.25 0.00 0.00 175.52 173.49 1zit h SER 15 N 0.11 0.00 0.00 5.36 0.87 -1.59 -2.56 113.55 115.73 1zit h SER 15 Ca 0.50 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.06 1zit h SER 15 Cb 0.95 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 1zit h SER 15 CO -0.73 0.25 -0.11 -0.24 -0.53 0.00 0.00 176.83 175.47 1zit n SER 16 N -3.71 0.31 -0.16 6.23 2.88 0.29 -4.23 113.62 115.23 1zit n SER 16 Ca -0.01 0.23 -0.10 0.00 -1.33 0.00 0.00 58.87 57.66 1zit n SER 16 Cb 0.36 -0.56 -0.05 0.00 -0.75 0.00 0.00 64.21 63.22 1zit n SER 16 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1zit h LEU 17 N -0.17 -1.48 -0.93 2.46 7.12 1.00 -1.35 115.31 121.97 1zit h LEU 17 Ca 0.00 0.23 0.17 0.00 0.13 0.00 0.00 57.88 58.41 1zit h LEU 17 Cb 0.11 0.65 -0.17 0.00 -0.53 0.00 0.00 40.66 40.73 1zit h LEU 17 CO 0.00 -0.36 -0.29 -1.28 -0.13 0.00 0.00 178.44 176.39 1zit h SER 18 N -0.29 -1.06 -0.93 1.25 0.87 -1.57 1.19 113.55 113.01 1zit h SER 18 Ca 0.15 0.29 0.11 0.00 -1.23 0.00 0.00 61.79 61.10 1zit h SER 18 Cb 0.58 0.63 -0.07 0.00 -0.44 0.00 0.00 62.40 63.10 1zit h SER 18 CO -0.62 -0.30 0.59 0.00 -0.53 0.00 0.00 176.83 175.97 1zit h ALA 19 N 1.70 1.62 -0.27 6.23 0.00 -1.43 0.27 119.26 127.38 1zit h ALA 19 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1zit h ALA 19 Cb 0.65 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1zit h ALA 19 CO -0.95 0.17 0.00 -0.89 0.00 0.00 0.00 179.25 177.58 1zit n ILE 20 N -4.55 0.00 0.13 0.00 5.41 0.39 -1.83 119.36 118.91 1zit n ILE 20 Ca 0.16 1.00 0.19 0.00 1.00 0.00 0.00 62.75 65.10 1zit n ILE 20 Cb 0.33 -1.96 0.68 0.00 -0.71 0.00 0.00 39.64 37.98 1zit n ILE 20 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 176.55 176.72 1zit h LEU 21 N 0.00 0.00 -0.15 1.39 -0.00 -0.82 1.04 115.31 116.77 1zit h LEU 21 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.69 1zit h LEU 21 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.63 1zit h LEU 21 CO 0.00 0.00 -0.92 -0.33 -0.00 0.00 0.00 178.44 177.19 1zit h GLU 22 N 0.00 0.00 0.00 0.17 5.08 -0.47 -3.23 114.58 116.13 1zit h GLU 22 Ca 0.17 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.28 1zit h GLU 22 Cb 1.27 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.54 1zit h GLU 22 CO -0.00 0.92 -1.00 1.49 -1.00 0.00 0.00 179.01 179.42 1zit h GLU 23 N 0.00 0.56 0.00 2.33 4.81 0.19 -3.07 114.58 119.40 1zit h GLU 23 Ca -0.01 -0.61 0.00 0.00 -0.13 0.00 0.00 59.36 58.62 1zit h GLU 23 Cb 1.63 0.17 0.00 0.00 0.63 0.00 0.00 28.75 31.18 1zit h GLU 23 CO 0.12 1.22 0.03 0.93 -0.73 0.00 0.00 179.01 180.58 1zit h GLU 24 N 0.32 0.00 -0.39 1.92 4.39 -1.30 -3.46 114.58 116.06 1zit h GLU 24 Ca -0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1zit h GLU 24 Cb 1.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.29 1zit h GLU 24 CO 0.18 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.44 1zit n GLY 25 N -1.14 0.62 3.07 -3.84 0.00 -1.16 -5.11 105.19 97.64 1zit n GLY 25 Ca -0.03 -0.64 -0.14 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.11 -1.25 -3.87 1.61 4.01 -1.22 -4.98 117.16 111.34 1zit n TYR 26 Ca 0.00 -2.24 -0.28 0.00 -0.16 0.00 0.00 57.90 55.22 1zit n TYR 26 Cb 0.04 0.46 -0.12 0.00 -0.31 0.00 0.00 39.34 39.41 1zit n TYR 26 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 1zit s HIS 27 N -3.11 3.33 0.03 -0.72 3.76 -1.13 -4.83 115.29 112.62 1zit s HIS 27 Ca 0.29 -3.24 -0.19 0.00 -0.15 0.00 0.00 55.06 51.77 1zit s HIS 27 Cb -0.00 -2.60 -0.06 0.00 1.11 0.00 0.00 32.58 31.02 1zit s HIS 27 CO 0.20 -0.60 0.55 -1.25 -0.85 0.00 0.00 174.74 172.80 1zit s PRO 28 N -1.15 4.21 -0.11 8.40 0.04 -1.25 -2.79 135.00 142.35 1zit s PRO 28 Ca 0.24 0.67 0.01 0.00 0.04 0.00 0.00 61.00 61.97 1zit s PRO 28 Cb -0.08 -3.28 0.02 0.00 0.04 0.00 0.00 34.50 31.20 1zit s PRO 28 CO -0.14 0.54 -0.14 0.34 0.04 0.00 0.00 177.00 177.64 1zit s ASP 29 N -0.73 2.34 -0.11 6.66 -1.08 -0.84 -4.99 116.67 117.91 1zit s ASP 29 Ca 0.29 -0.40 -0.11 0.00 -0.52 0.00 0.00 52.55 51.80 1zit s ASP 29 Cb -0.18 -1.03 -0.05 0.00 -1.46 0.00 0.00 42.92 40.20 1zit s ASP 29 CO 0.17 -0.00 0.25 0.42 0.52 0.00 0.00 175.17 176.53 1zit s THR 30 N 1.06 5.32 0.55 1.71 -4.23 -1.26 0.47 115.64 119.25 1zit s THR 30 Ca -0.06 0.46 0.06 0.00 -1.18 0.00 0.00 61.69 60.98 1zit s THR 30 Cb -0.15 -3.55 0.04 0.00 1.34 0.00 0.00 72.50 70.18 1zit s THR 30 CO -0.02 0.52 0.46 0.00 -0.54 0.00 0.00 174.62 175.04 1zit s ALA 31 N -0.44 4.47 0.00 3.99 0.00 0.13 -4.92 121.76 124.98 1zit s ALA 31 Ca 0.17 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.74 1zit s ALA 31 Cb -0.13 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.15 1zit s ALA 31 CO 0.06 -0.50 0.05 1.63 0.00 0.00 0.00 175.76 176.99 1zit n LYS 32 N -1.83 5.20 -1.83 0.00 5.02 -1.24 -2.93 118.16 120.55 1zit n LYS 32 Ca 0.01 -0.05 -0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1zit n LYS 32 Cb 0.64 -0.49 0.00 0.00 -0.02 0.00 0.00 35.03 35.16 1zit n LYS 32 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1zit n THR 33 N -0.76 0.00 0.08 -0.18 -2.24 -1.26 -3.79 114.28 106.13 1zit n THR 33 Ca 0.00 -0.05 -0.11 0.00 -2.27 0.00 0.00 64.05 61.62 1zit n THR 33 Cb 0.00 0.09 -0.11 0.00 -2.10 0.00 0.00 70.33 68.21 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 0.20 -0.18 3.22 3.38 -1.98 -2.16 115.31 117.80 1zit h LEU 34 Ca -0.03 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 1zit h LEU 34 Cb 0.14 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1zit h LEU 34 CO 0.04 1.14 -0.29 0.03 0.09 0.00 0.00 178.44 179.45 1zit h ARG 35 N 0.04 0.51 -0.26 1.13 2.47 -1.99 0.53 114.38 116.81 1zit h ARG 35 Ca -0.06 -0.31 -0.06 0.00 -1.26 0.00 0.00 59.98 58.28 1zit h ARG 35 Cb 1.81 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 30.14 1zit h ARG 35 CO 0.16 0.91 -0.11 1.49 0.56 0.00 0.00 179.97 182.97 1zit h GLU 36 N 0.16 0.43 -0.02 0.04 4.57 -1.94 -2.73 114.58 115.09 1zit h GLU 36 Ca 0.01 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.06 1zit h GLU 36 Cb 0.87 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.41 1zit h GLU 36 CO 0.07 0.55 -0.05 0.00 -1.18 0.00 0.00 179.01 178.39 1zit h ALA 37 N 1.48 0.03 -0.80 2.92 0.00 -1.27 -2.78 119.26 118.84 1zit h ALA 37 Ca 0.08 -0.33 0.19 0.00 0.00 0.00 0.00 54.91 54.84 1zit h ALA 37 Cb 0.45 -0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.11 1zit h ALA 37 CO 0.03 -0.12 0.14 0.93 0.00 0.00 0.00 179.25 180.23 1zit h GLU 38 N -0.53 0.19 0.43 0.00 5.08 -0.75 0.97 114.58 119.96 1zit h GLU 38 Ca -0.00 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1zit h GLU 38 Cb 0.68 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1zit h GLU 38 CO 0.01 0.12 -0.25 -0.22 -1.00 0.00 0.00 179.01 177.68 1zit h LYS 39 N 0.19 -0.61 -0.18 2.33 3.11 -1.51 0.96 116.57 120.86 1zit h LYS 39 Ca 0.46 0.04 0.05 0.00 -2.81 0.00 0.00 60.65 58.40 1zit h LYS 39 Cb 0.86 0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 32.22 1zit h LYS 39 CO -0.62 -0.41 0.16 0.87 -2.81 0.00 0.00 179.45 176.64 1zit h LYS 40 N -0.64 0.00 -0.00 1.90 1.79 -0.53 0.16 116.57 119.25 1zit h LYS 40 Ca -0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1zit h LYS 40 Cb 0.52 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1zit h LYS 40 CO 0.06 0.00 -0.54 -0.89 -1.08 0.00 0.00 179.45 177.00 1zit n ILE 41 N -4.16 0.00 1.09 1.86 5.41 0.31 -1.95 119.36 121.92 1zit n ILE 41 Ca 0.01 -0.05 0.07 0.00 1.00 0.00 0.00 62.75 63.78 1zit n ILE 41 Cb 0.29 0.51 0.22 0.00 -0.71 0.00 0.00 39.64 39.95 1zit n ILE 41 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1zit n LYS 42 N -1.18 1.71 0.00 0.38 4.76 0.32 -4.43 118.16 119.72 1zit n LYS 42 Ca 0.07 -1.09 0.00 0.00 -2.87 0.00 0.00 58.31 54.42 1zit n LYS 42 Cb 0.35 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 32.25 1zit n LYS 42 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1zit n GLU 43 N 0.36 0.00 -2.71 1.97 1.02 -1.21 -5.05 120.64 115.02 1zit n GLU 43 Ca 0.12 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.84 1zit n GLU 43 Cb 0.28 -0.05 -0.03 0.00 -0.02 0.00 0.00 31.44 31.62 1zit n GLU 43 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1zit s LEU 44 N -4.63 3.96 -0.74 -4.62 2.01 -0.82 -4.93 118.68 108.91 1zit s LEU 44 Ca 0.00 0.91 -0.23 0.00 0.01 0.00 0.00 54.13 54.82 1zit s LEU 44 Cb 0.00 -3.43 -0.17 0.00 0.01 0.00 0.00 46.19 42.59 1zit s LEU 44 CO 0.00 -0.85 1.89 0.33 1.01 0.00 0.00 176.35 178.74 1zit n PHE 45 N 6.78 1.76 -2.12 0.29 -0.00 -1.26 -4.49 117.46 118.41 1zit n PHE 45 Ca 0.10 -1.61 -0.43 0.00 -0.00 0.00 0.00 57.45 55.51 1zit n PHE 45 Cb 0.47 -1.72 -0.03 0.00 -0.00 0.00 0.00 39.48 38.21 1zit n PHE 45 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.76 176.70 1zit s PHE 46 N 6.04 2.14 0.15 -5.13 0.08 -1.26 -4.89 117.98 115.11 1zit s PHE 46 Ca 0.60 0.52 -0.04 0.00 0.12 0.00 0.00 56.93 58.14 1zit s PHE 46 Cb 0.13 -3.93 -0.03 0.00 -0.57 0.00 0.00 43.02 38.62 1zit s PHE 46 CO 0.15 -2.99 1.37 -1.35 -0.10 0.00 0.00 175.22 172.30 1zit h PRO 47 N 10.33 0.43 -4.81 0.24 0.11 -1.90 -3.44 132.00 132.96 1zit h PRO 47 Ca -0.34 -0.40 -0.59 0.00 0.11 0.00 0.00 66.00 64.78 1zit h PRO 47 Cb 1.15 0.10 -0.34 0.00 0.11 0.00 0.00 31.00 32.02 1zit h PRO 47 CO 0.99 1.05 -0.84 0.08 -0.21 0.00 0.00 178.00 179.07 1zit s VAL 48 N -3.47 1.55 -0.13 3.15 1.01 -1.26 0.17 120.40 121.41 1zit s VAL 48 Ca -0.06 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 1zit s VAL 48 Cb 0.10 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 1zit s VAL 48 CO 0.86 0.45 -0.12 -0.63 0.00 0.00 0.00 175.10 175.65 1zit s ILE 49 N 0.85 3.13 -0.26 2.22 -1.09 0.19 0.55 121.20 126.79 1zit s ILE 49 Ca -0.09 -0.63 0.02 0.00 -2.23 0.00 0.00 60.65 57.71 1zit s ILE 49 Cb -0.15 -2.32 0.07 0.00 -1.58 0.00 0.00 42.46 38.48 1zit s ILE 49 CO 0.00 0.52 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.51 1zit s VAL 50 N 0.34 1.76 0.12 2.92 1.01 0.24 -1.89 120.40 124.90 1zit s VAL 50 Ca -0.10 -1.53 -0.09 0.00 0.00 0.00 0.00 61.98 60.26 1zit s VAL 50 Cb -0.16 -2.06 -0.06 0.00 0.00 0.00 0.00 36.38 34.11 1zit s VAL 50 CO 0.05 -0.22 0.42 -0.22 0.00 0.00 0.00 175.10 175.14 1zit s LEU 51 N 1.26 4.30 -0.36 3.92 2.96 -1.26 0.80 118.68 130.30 1zit s LEU 51 Ca -0.03 0.77 0.02 0.00 -0.22 0.00 0.00 54.13 54.67 1zit s LEU 51 Cb -0.19 -3.18 0.11 0.00 0.50 0.00 0.00 46.19 43.43 1zit s LEU 51 CO -0.08 0.10 0.12 -0.62 -1.32 0.00 0.00 176.35 174.55 1zit s ASP 52 N -2.02 4.27 -0.71 3.68 -1.08 0.31 -1.13 116.67 120.00 1zit s ASP 52 Ca 0.37 -2.13 -0.25 0.00 -0.52 0.00 0.00 52.55 50.03 1zit s ASP 52 Cb -0.13 -1.25 -0.20 0.00 -1.46 0.00 0.00 42.92 39.88 1zit s ASP 52 CO 0.20 -0.36 1.87 0.52 0.52 0.00 0.00 175.17 177.92 1zit n VAL 53 N 4.24 1.27 0.00 1.11 0.31 -1.26 -3.94 118.33 120.07 1zit n VAL 53 Ca 0.03 -1.18 0.00 0.00 -0.01 0.00 0.00 64.34 63.18 1zit n VAL 53 Cb 0.40 -2.19 0.00 0.00 -0.91 0.00 0.00 33.84 31.14 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 10.35 0.00 -2.73 3.52 -0.00 -1.26 -4.87 117.44 122.45 1zit n TRP 54 Ca 0.47 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.92 1zit n TRP 54 Cb 0.43 0.00 0.04 0.00 -0.00 0.00 0.00 31.31 31.78 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 0.00 1.37 0.00 5.87 0.00 -1.26 -5.07 117.12 118.03 1zit n MET 55 Ca 0.00 -3.29 0.00 0.00 0.00 0.00 0.00 57.70 54.41 1zit n MET 55 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 33.22 31.89 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 -0.30 0.13 -0.02 2.12 -0.04 -1.26 -5.03 135.00 130.60 1zit n PRO 56 Ca 0.08 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.50 1zit n PRO 56 Cb 0.81 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.26 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 -2.10 2.30 -4.73 3.54 9.92 -1.26 -5.06 116.55 119.16 1zit n ASP 57 Ca 0.00 0.01 -0.30 0.00 -0.53 0.00 0.00 54.79 53.97 1zit n ASP 57 Cb 0.00 -0.09 0.13 0.00 -0.64 0.00 0.00 41.12 40.51 1zit n ASP 57 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1zit s GLY 58 N -4.68 1.63 -0.27 0.44 0.00 -1.26 -5.01 107.32 98.17 1zit s GLY 58 Ca -0.06 0.02 -0.13 0.00 0.00 0.00 0.00 44.72 44.55 1zit s GLY 58 CO 0.09 0.47 0.30 0.99 0.00 0.00 0.00 173.10 174.95 1zit s ASP 59 N -3.41 6.17 0.49 1.64 1.11 -1.26 -4.95 116.67 116.46 1zit s ASP 59 Ca 0.63 0.18 0.29 0.00 0.18 0.00 0.00 52.55 53.83 1zit s ASP 59 Cb -0.18 -2.17 0.99 0.00 1.07 0.00 0.00 42.92 42.63 1zit s ASP 59 CO 0.57 -0.12 1.84 1.23 1.18 0.00 0.00 175.17 179.87 1zit h GLY 60 N 8.42 0.00 0.88 0.21 0.00 -1.99 -3.14 103.07 107.45 1zit h GLY 60 Ca -0.33 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.06 1zit h GLY 60 CO 0.61 0.00 0.57 -2.08 0.00 0.00 0.00 176.54 175.64 1zit h VAL 61 N 0.00 1.05 0.00 4.60 2.07 -1.92 -1.48 116.25 120.56 1zit h VAL 61 Ca -0.00 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 1zit h VAL 61 Cb 0.71 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1zit h VAL 61 CO 0.01 0.18 -0.80 0.78 0.02 0.00 0.00 177.57 177.75 1zit h ASN 62 N 0.97 0.00 -0.65 0.57 2.35 -1.92 -3.34 115.58 113.56 1zit h ASN 62 Ca 0.38 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.05 1zit h ASN 62 Cb 0.22 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.57 1zit h ASN 62 CO -0.14 0.21 0.12 0.15 -1.65 0.00 0.00 177.43 176.12 1zit h PHE 63 N 0.00 1.12 -1.19 1.19 3.57 -1.27 -2.67 116.94 117.70 1zit h PHE 63 Ca -0.04 -0.15 0.34 0.00 3.53 0.00 0.00 57.97 61.66 1zit h PHE 63 Cb 1.19 -0.31 -0.05 0.00 2.79 0.00 0.00 35.95 39.57 1zit h PHE 63 CO 0.00 0.94 0.94 0.82 -2.23 0.00 0.00 178.31 178.79 1zit h ILE 64 N 0.98 0.27 0.08 1.41 2.04 -1.58 0.20 117.51 120.92 1zit h ILE 64 Ca 0.20 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.05 1zit h ILE 64 Cb 0.41 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1zit h ILE 64 CO 0.01 0.00 -0.04 -0.78 0.00 0.00 0.00 178.15 177.34 1zit h ASP 65 N 0.00 -0.09 -0.97 1.72 1.82 -1.71 -2.99 116.42 114.19 1zit h ASP 65 Ca 0.56 -0.43 0.23 0.00 -0.39 0.00 0.00 57.03 57.00 1zit h ASP 65 Cb 2.45 0.02 -0.12 0.00 0.68 0.00 0.00 39.33 42.36 1zit h ASP 65 CO -0.01 0.41 0.55 0.15 -1.61 0.00 0.00 179.24 178.73 1zit h PHE 66 N -0.64 0.94 -0.18 0.28 3.04 -0.71 1.00 116.94 120.67 1zit h PHE 66 Ca -0.01 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.98 1zit h PHE 66 Cb 0.52 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.76 1zit h PHE 66 CO 0.09 0.06 0.11 0.82 -2.02 0.00 0.00 178.31 177.37 1zit h ILE 67 N 0.56 1.03 0.00 1.41 5.03 -1.46 -1.52 117.51 122.57 1zit h ILE 67 Ca 0.61 -0.08 0.00 0.00 -0.12 0.00 0.00 64.86 65.28 1zit h ILE 67 Cb 1.13 0.78 0.00 0.00 -3.03 0.00 0.00 36.82 35.71 1zit h ILE 67 CO -0.47 0.04 0.00 0.11 -0.68 0.00 0.00 178.15 177.15 1zit h LYS 68 N 0.23 0.00 0.05 2.37 1.79 -0.66 0.49 116.57 120.84 1zit h LYS 68 Ca 0.07 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1zit h LYS 68 Cb -0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 1zit h LYS 68 CO -0.03 0.00 -0.03 1.49 -1.08 0.00 0.00 179.45 179.81 1zit h GLU 69 N 0.00 -0.07 -0.27 3.15 4.81 0.17 -3.15 114.58 119.22 1zit h GLU 69 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1zit h GLU 69 Cb 0.81 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1zit h GLU 69 CO 0.00 0.31 0.00 0.09 -0.73 0.00 0.00 179.01 178.68 1zit n ASN 70 N -4.94 3.22 -2.74 1.04 3.02 -0.64 -4.73 115.26 109.49 1zit n ASN 70 Ca -0.08 -2.48 -0.08 0.00 -0.03 0.00 0.00 54.58 51.90 1zit n ASN 70 Cb 0.22 -0.36 0.06 0.00 -0.61 0.00 0.00 39.78 39.09 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 -0.10 -2.72 0.26 6.41 7.64 0.17 -4.98 113.62 120.30 1zit n SER 71 Ca 0.15 -3.42 0.17 0.00 1.01 0.00 0.00 58.87 56.78 1zit n SER 71 Cb 0.62 1.86 0.67 0.00 -1.01 0.00 0.00 64.21 66.35 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 3.68 0.00 -0.92 1.43 0.11 -1.65 -2.67 132.00 131.97 1zit h PRO 72 Ca -0.14 0.00 -0.42 0.00 0.11 0.00 0.00 66.00 65.56 1zit h PRO 72 Cb 1.05 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 31.92 1zit h PRO 72 CO 0.26 0.00 0.53 -0.25 -0.21 0.00 0.00 178.00 178.33 1zit n ASP 73 N -2.95 4.12 -3.63 -2.05 9.92 -1.26 -4.94 116.55 115.76 1zit n ASP 73 Ca 0.01 -3.47 -0.19 0.00 -0.53 0.00 0.00 54.79 50.61 1zit n ASP 73 Cb 0.29 -0.81 -0.03 0.00 -0.64 0.00 0.00 41.12 39.93 1zit n ASP 73 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1zit n SER 74 N -0.80 2.63 -4.15 -2.24 2.88 -1.01 -4.64 113.62 106.30 1zit n SER 74 Ca 0.53 -2.28 -0.24 0.00 -1.33 0.00 0.00 58.87 55.55 1zit n SER 74 Cb 1.58 0.15 -0.15 0.00 -0.75 0.00 0.00 64.21 65.04 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 -1.97 1.32 -0.52 2.46 1.01 0.44 -4.95 120.40 118.18 1zit s VAL 75 Ca 0.05 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.35 1zit s VAL 75 Cb -0.00 -1.09 0.14 0.00 0.00 0.00 0.00 36.38 35.42 1zit s VAL 75 CO 0.03 0.37 0.29 -0.69 0.00 0.00 0.00 175.10 175.10 1zit s VAL 76 N -0.39 2.27 -0.00 2.92 1.01 -1.26 0.56 120.40 125.52 1zit s VAL 76 Ca 0.06 -3.24 -0.00 0.00 0.00 0.00 0.00 61.98 58.80 1zit s VAL 76 Cb -0.06 -2.57 -0.00 0.00 0.00 0.00 0.00 36.38 33.75 1zit s VAL 76 CO -0.01 -0.86 0.31 0.40 0.00 0.00 0.00 175.10 174.95 1zit h ILE 77 N 5.26 0.00 -3.99 2.22 1.08 -1.75 0.49 117.51 120.82 1zit h ILE 77 Ca -0.02 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 1zit h ILE 77 Cb 0.88 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.63 1zit h ILE 77 CO 0.63 0.00 -0.84 0.52 -0.69 0.00 0.00 178.15 177.77 1zit n VAL 78 N -2.09-12.25 -0.47 1.67 0.31 -1.26 -3.60 118.33 100.65 1zit n VAL 78 Ca -0.00 3.01 0.00 0.00 -0.01 0.00 0.00 64.34 67.34 1zit n VAL 78 Cb 0.00 -5.21 0.00 0.00 -0.91 0.00 0.00 33.84 27.72 1zit n VAL 78 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1zit n ILE 79 N 1.67 0.00 -2.32 2.52 5.41 -0.28 -3.57 119.36 122.78 1zit n ILE 79 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.71 1zit n ILE 79 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 38.90 1zit n ILE 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1zit n THR 80 N 0.00-10.96 0.00 1.39 -1.04 -1.26 -4.10 114.28 98.30 1zit n THR 80 Ca 0.00 2.28 0.00 0.00 -2.04 0.00 0.00 64.05 64.29 1zit n THR 80 Cb 0.00 -5.87 0.00 0.00 -1.82 0.00 0.00 70.33 62.64 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 1.37 0.00 3.56 3.41 0.00 -1.26 -4.67 105.19 107.61 1zit n GLY 81 Ca -0.30 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 1zit n GLY 81 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1zit s HIS 82 N 0.00 2.03 0.00 1.61 2.46 -1.26 -2.83 115.29 117.30 1zit s HIS 82 Ca 0.00 0.18 0.00 0.00 0.47 0.00 0.00 55.06 55.71 1zit s HIS 82 Cb 0.00 -4.22 0.00 0.00 -0.13 0.00 0.00 32.58 28.23 1zit s HIS 82 CO 0.00 -1.74 0.00 0.41 -2.47 0.00 0.00 174.74 170.94 1zit n GLY 83 N 6.71 0.57 3.63 1.59 0.00 -1.26 -5.13 105.19 111.30 1zit n GLY 83 Ca 0.39 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.28 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 0.00 -0.73 -0.47 1.61 0.01 -1.13 -5.04 113.70 107.96 1zit s SER 84 Ca 0.00 1.38 0.02 0.00 1.31 0.00 0.00 55.95 58.65 1zit s SER 84 Cb 0.00 1.39 0.52 0.00 0.21 0.00 0.00 66.02 68.14 1zit s SER 84 CO 0.00 -0.24 1.90 0.52 0.41 0.00 0.00 173.24 175.83 1zit n VAL 85 N 2.78 3.14 0.05 3.43 0.31 -1.26 -4.29 118.33 122.48 1zit n VAL 85 Ca -0.14 -2.05 0.03 0.00 -0.01 0.00 0.00 64.34 62.17 1zit n VAL 85 Cb 0.55 -0.78 -0.06 0.00 -0.91 0.00 0.00 33.84 32.65 1zit n VAL 85 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1zit n ASP 86 N -0.84 0.86 0.08 4.52 5.75 -1.26 -3.75 116.55 121.91 1zit n ASP 86 Ca 0.54 0.37 -0.14 0.00 -0.01 0.00 0.00 54.79 55.55 1zit n ASP 86 Cb 1.21 0.22 -0.08 0.00 -1.03 0.00 0.00 41.12 41.44 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 1.44 0.74 2.12 1.03 -1.97 -2.83 112.91 113.45 1zit h THR 87 Ca -0.13 -2.69 -0.04 0.00 -0.01 0.00 0.00 66.41 63.55 1zit h THR 87 Cb 1.45 2.63 0.01 0.00 -1.07 0.00 0.00 68.15 71.16 1zit h THR 87 CO 0.04 0.79 -0.37 0.00 -0.01 0.00 0.00 175.52 175.97 1zit h ALA 88 N 0.69 -1.02 -0.45 0.00 0.00 -1.86 -1.35 119.26 115.27 1zit h ALA 88 Ca -0.10 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 54.71 1zit h ALA 88 Cb 1.73 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 19.91 1zit h ALA 88 CO 0.18 -1.08 0.32 -0.39 0.00 0.00 0.00 179.25 178.28 1zit h VAL 89 N -1.01 0.79 0.00 0.00 -1.51 -1.66 0.55 116.25 113.41 1zit h VAL 89 Ca -0.10 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 1zit h VAL 89 Cb 0.79 0.75 0.00 0.00 -2.13 0.00 0.00 31.29 30.70 1zit h VAL 89 CO 0.16 0.01 0.00 1.17 -1.23 0.00 0.00 177.57 177.67 1zit n LYS 90 N -4.42 0.17 -0.09 5.19 4.81 -0.83 -2.18 118.16 120.81 1zit n LYS 90 Ca 0.08 0.22 -0.14 0.00 -0.87 0.00 0.00 58.31 57.60 1zit n LYS 90 Cb 0.50 -1.73 -0.08 0.00 0.02 0.00 0.00 35.03 33.74 1zit n LYS 90 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1zit n ALA 91 N -1.70 1.65 0.12 3.14 0.00 0.15 -4.36 120.51 119.51 1zit n ALA 91 Ca 0.05 -0.75 -0.02 0.00 0.00 0.00 0.00 53.44 52.72 1zit n ALA 91 Cb 0.34 0.12 0.20 0.00 0.00 0.00 0.00 19.45 20.12 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 -0.12 1.36 0.00 0.00 3.07 -0.30 -1.30 117.51 120.22 1zit h ILE 92 Ca -0.41 -1.77 -0.04 0.00 1.55 0.00 0.00 64.86 64.19 1zit h ILE 92 Cb 1.58 1.90 -0.01 0.00 -0.27 0.00 0.00 36.82 40.02 1zit h ILE 92 CO -0.10 0.52 -0.17 0.50 -1.05 0.00 0.00 178.15 177.84 1zit h LYS 93 N 0.10 0.00 0.00 0.16 3.11 -1.64 -3.21 116.57 115.09 1zit h LYS 93 Ca 0.00 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 57.78 1zit h LYS 93 Cb 0.95 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.17 1zit h LYS 93 CO 0.07 0.17 -0.44 0.87 -2.81 0.00 0.00 179.45 177.31 1zit h LYS 94 N 0.00 0.00 0.00 1.90 1.79 -1.65 -3.47 116.57 115.13 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 0.53 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1zit h LYS 94 CO 0.02 0.51 0.00 0.41 -1.08 0.00 0.00 179.45 179.31 1zit n GLY 95 N 1.61 0.00 3.98 3.86 0.00 -0.67 -4.93 105.19 109.05 1zit n GLY 95 Ca -0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 1zit n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zit s ALA 96 N 0.00 3.51 -0.18 4.61 0.00 -0.58 -4.49 121.76 124.62 1zit s ALA 96 Ca 0.00 -1.65 0.19 0.00 0.00 0.00 0.00 51.96 50.50 1zit s ALA 96 Cb 0.00 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.97 1zit s ALA 96 CO 0.00 -1.58 1.02 -0.92 0.00 0.00 0.00 175.76 174.28 1zit h TYR 97 N -0.67 0.00 0.00 0.00 3.20 -1.14 -3.44 116.97 114.92 1zit h TYR 97 Ca -0.37 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.50 1zit h TYR 97 Cb 1.26 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.53 1zit h TYR 97 CO -0.31 0.33 0.00 -0.85 -1.64 0.00 0.00 178.16 175.70 1zit n GLU 98 N -2.87 0.00 -0.92 1.82 0.28 -1.26 -5.07 120.64 112.61 1zit n GLU 98 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.96 1zit n GLU 98 Cb 0.71 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.58 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 0.00 -1.53 -1.84 7.35 -1.24 -4.79 117.46 115.42 1zit n PHE 99 Ca 0.00 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.40 1zit n PHE 99 Cb 0.00 -1.94 -0.10 0.00 0.35 0.00 0.00 39.48 37.79 1zit n PHE 99 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1zit n LEU 100 N 0.00 1.10 -4.95 -2.13 -0.00 -1.23 -4.90 117.00 104.88 1zit n LEU 100 Ca 0.00 -0.59 -0.23 0.00 -0.00 0.00 0.00 56.01 55.19 1zit n LEU 100 Cb 0.00 -1.28 -0.01 0.00 -0.00 0.00 0.00 43.42 42.14 1zit n LEU 100 CO 0.00 -1.61 0.17 -1.61 -0.00 0.00 0.00 177.39 174.35 1zit s GLU 101 N 8.41 3.33 -1.15 1.96 0.41 -1.26 -4.53 118.70 125.87 1zit s GLU 101 Ca 1.11 -0.48 -0.02 0.00 -0.41 0.00 0.00 54.97 55.18 1zit s GLU 101 Cb -0.53 -2.67 -0.02 0.00 -1.78 0.00 0.00 34.13 29.13 1zit s GLU 101 CO 0.32 0.05 0.97 1.17 -0.49 0.00 0.00 175.26 177.28 1zit n LYS 102 N -1.82 -5.21 -2.28 1.61 4.81 -1.26 -4.90 118.16 109.10 1zit n LYS 102 Ca -0.03 0.85 -0.41 0.00 -0.87 0.00 0.00 58.31 57.85 1zit n LYS 102 Cb 0.57 -5.85 -0.03 0.00 0.02 0.00 0.00 35.03 29.75 1zit n LYS 102 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1zit s PRO 103 N -5.05 3.24 0.03 1.64 0.04 -1.26 -4.85 135.00 128.79 1zit s PRO 103 Ca 0.15 0.65 0.07 0.00 0.04 0.00 0.00 61.00 61.91 1zit s PRO 103 Cb -0.02 -4.16 -0.23 0.00 0.04 0.00 0.00 34.50 30.13 1zit s PRO 103 CO 0.73 -2.00 0.93 0.74 0.04 0.00 0.00 177.00 177.44 1zit h PHE 104 N 11.83 0.10 0.00 0.56 -1.00 -1.99 -3.48 116.94 122.96 1zit h PHE 104 Ca -0.28 -0.07 0.00 0.00 2.81 0.00 0.00 57.97 60.43 1zit h PHE 104 Cb 1.11 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.67 1zit h PHE 104 CO 1.02 1.09 0.00 0.45 -1.61 0.00 0.00 178.31 179.26 1zit n SER 105 N -3.25 -0.48 0.00 2.17 2.88 -1.26 -5.02 113.62 108.66 1zit n SER 105 Ca -0.11 0.40 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 1zit n SER 105 Cb 1.01 0.77 0.00 0.00 -0.75 0.00 0.00 64.21 65.24 1zit n SER 105 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1zit n VAL 106 N -2.78 0.00 -0.09 2.46 3.14 -1.26 -5.00 118.33 114.80 1zit n VAL 106 Ca 0.00 0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.32 1zit n VAL 106 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1zit n VAL 106 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 1zit h GLU 107 N 0.00 -0.09 -0.91 1.45 4.81 -2.00 -0.36 114.58 117.48 1zit h GLU 107 Ca 0.00 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1zit h GLU 107 Cb 0.00 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.34 1zit h GLU 107 CO 0.00 -0.06 0.59 -0.09 -0.73 0.00 0.00 179.01 178.72 1zit h ARG 108 N -0.09 1.00 0.00 1.92 9.65 -1.94 0.34 114.38 125.25 1zit h ARG 108 Ca 0.17 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.98 1zit h ARG 108 Cb 0.34 -0.22 -0.00 0.00 -1.39 0.00 0.00 29.97 28.70 1zit h ARG 108 CO -0.39 0.66 -0.03 0.35 2.80 0.00 0.00 179.97 183.36 1zit h PHE 109 N 1.03 0.00 -0.14 2.20 3.57 -1.48 -2.39 116.94 119.73 1zit h PHE 109 Ca 0.40 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.83 1zit h PHE 109 Cb 0.22 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 1zit h PHE 109 CO -0.00 0.03 -0.16 1.25 -2.23 0.00 0.00 178.31 177.20 1zit h LEU 110 N 0.00 0.38 -0.86 0.59 6.46 -0.14 -2.62 115.31 119.12 1zit h LEU 110 Ca -0.00 -0.50 0.18 0.00 -0.12 0.00 0.00 57.88 57.44 1zit h LEU 110 Cb 0.05 -0.11 -0.11 0.00 -0.73 0.00 0.00 40.66 39.77 1zit h LEU 110 CO 0.00 0.80 0.40 -0.07 -0.62 0.00 0.00 178.44 178.96 1zit h LEU 111 N -0.03 0.41 -0.14 2.25 4.07 -1.16 -1.34 115.31 119.37 1zit h LEU 111 Ca 0.02 0.12 -0.05 0.00 0.08 0.00 0.00 57.88 58.05 1zit h LEU 111 Cb 0.70 0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.51 1zit h LEU 111 CO 0.04 0.11 -0.11 0.74 -1.08 0.00 0.00 178.44 178.14 1zit h THR 112 N 0.51 1.34 -0.46 0.22 2.02 -1.53 -3.24 112.91 111.77 1zit h THR 112 Ca 0.50 -1.24 0.06 0.00 0.77 0.00 0.00 66.41 66.50 1zit h THR 112 Cb 0.83 1.85 -0.09 0.00 -1.74 0.00 0.00 68.15 69.01 1zit h THR 112 CO -0.44 0.36 -0.54 0.40 0.37 0.00 0.00 175.52 175.67 1zit h ILE 113 N -0.05 0.02 -0.50 3.11 1.08 -0.86 0.46 117.51 120.76 1zit h ILE 113 Ca 0.02 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.58 1zit h ILE 113 Cb 0.62 0.02 -0.10 0.00 -3.07 0.00 0.00 36.82 34.29 1zit h ILE 113 CO 0.03 0.00 -0.39 0.50 -0.69 0.00 0.00 178.15 177.60 1zit h LYS 114 N -0.36 -0.24 0.00 2.37 3.11 -1.54 0.59 116.57 120.51 1zit h LYS 114 Ca 0.09 0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.94 1zit h LYS 114 Cb 0.58 0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 31.87 1zit h LYS 114 CO -0.62 -0.16 -0.04 0.45 -2.81 0.00 0.00 179.45 176.27 1zit h HIS 115 N -0.25 0.00 -0.68 1.91 -0.00 -1.33 -1.73 115.15 113.08 1zit h HIS 115 Ca 0.18 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.53 1zit h HIS 115 Cb 0.56 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.94 1zit h HIS 115 CO -0.64 0.04 0.33 0.00 -0.00 0.00 0.00 177.93 177.66 1zit h ALA 116 N 1.96 1.30 0.00 2.45 0.00 0.49 -1.23 119.26 124.23 1zit h ALA 116 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1zit h ALA 116 Cb 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1zit h ALA 116 CO 0.00 0.54 0.00 0.74 0.00 0.00 0.00 179.25 180.54 1zit h PHE 117 N 0.96 0.00 -0.04 0.00 0.04 -0.47 -3.06 116.94 114.37 1zit h PHE 117 Ca 0.24 0.00 0.01 0.00 2.80 0.00 0.00 57.97 61.02 1zit h PHE 117 Cb 0.09 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.24 1zit h PHE 117 CO 0.01 0.00 0.14 1.49 -0.60 0.00 0.00 178.31 179.35 1zit h GLU 118 N 0.00 0.00 -1.12 1.51 4.81 -1.14 -0.97 114.58 117.68 1zit h GLU 118 Ca 0.00 0.00 -0.47 0.00 -0.13 0.00 0.00 59.36 58.76 1zit h GLU 118 Cb 0.56 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 29.71 1zit h GLU 118 CO 0.00 0.00 0.60 0.39 -0.73 0.00 0.00 179.01 179.27 1zit n GLU 119 N -3.22 2.14 -1.04 1.92 1.02 -1.16 -4.06 120.64 116.24 1zit n GLU 119 Ca -0.02 -2.44 0.04 0.00 -0.02 0.00 0.00 57.16 54.72 1zit n GLU 119 Cb 0.22 -1.96 0.05 0.00 -0.02 0.00 0.00 31.44 29.73 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 -0.57 0.00 -0.38 -0.32 9.36 -0.37 -4.66 117.16 120.23 1zit n TYR 120 Ca 0.48 -0.56 0.00 0.00 3.32 0.00 0.00 57.90 61.14 1zit n TYR 120 Cb 1.00 -0.14 0.00 0.00 -0.63 0.00 0.00 39.34 39.57 1zit n TYR 120 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51