#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 -4.47 -3.63 3.17 4.76 -1.26 -4.58 118.16 112.15 1zit n LYS 2 Ca 0.00 3.23 -0.05 0.00 -2.87 0.00 0.00 58.31 58.62 1zit n LYS 2 Cb 0.00 -3.53 -0.06 0.00 -1.84 0.00 0.00 35.03 29.60 1zit n LYS 2 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1zit s ARG 3 N -2.20 0.60 0.02 1.97 1.04 -1.26 -2.22 118.95 116.91 1zit s ARG 3 Ca 0.00 1.13 0.07 0.00 -1.04 0.00 0.00 55.73 55.89 1zit s ARG 3 Cb 0.00 0.28 -0.03 0.00 -2.04 0.00 0.00 34.95 33.16 1zit s ARG 3 CO 0.00 -0.14 -0.20 0.08 -0.04 0.00 0.00 175.30 175.00 1zit s VAL 4 N 1.85 2.65 -0.14 4.99 1.01 -0.87 -4.16 120.40 125.73 1zit s VAL 4 Ca -0.09 -1.14 -0.13 0.00 0.00 0.00 0.00 61.98 60.63 1zit s VAL 4 Cb -0.06 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 1zit s VAL 4 CO -0.19 0.40 0.26 -0.22 0.00 0.00 0.00 175.10 175.36 1zit s LEU 5 N -1.22 4.28 -0.60 3.92 2.96 0.97 -2.04 118.68 126.95 1zit s LEU 5 Ca 0.13 0.51 0.01 0.00 -0.22 0.00 0.00 54.13 54.56 1zit s LEU 5 Cb -0.10 -2.32 0.15 0.00 0.50 0.00 0.00 46.19 44.42 1zit s LEU 5 CO 0.03 0.17 0.38 -0.69 -1.32 0.00 0.00 176.35 174.92 1zit s VAL 6 N 0.11 3.18 -0.40 1.68 1.01 -1.26 0.12 120.40 124.84 1zit s VAL 6 Ca 0.16 -3.27 -0.25 0.00 0.00 0.00 0.00 61.98 58.61 1zit s VAL 6 Cb -0.13 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 33.15 1zit s VAL 6 CO 0.04 -0.86 0.91 -0.69 0.00 0.00 0.00 175.10 174.49 1zit s VAL 7 N -0.34 4.56 -0.09 2.92 1.01 0.36 -1.61 120.40 127.21 1zit s VAL 7 Ca 0.18 0.99 -0.07 0.00 0.00 0.00 0.00 61.98 63.08 1zit s VAL 7 Cb -0.21 -4.36 0.03 0.00 0.00 0.00 0.00 36.38 31.84 1zit s VAL 7 CO -0.03 -0.64 0.22 -0.62 0.00 0.00 0.00 175.10 174.04 1zit s ASP 8 N 2.02 -0.23 0.61 3.32 2.15 -0.27 0.93 116.67 125.20 1zit s ASP 8 Ca 0.37 0.46 0.28 0.00 0.43 0.00 0.00 52.55 54.09 1zit s ASP 8 Cb -0.11 0.42 1.42 0.00 -0.30 0.00 0.00 42.92 44.35 1zit s ASP 8 CO 0.21 -0.11 1.83 -0.78 -0.17 0.00 0.00 175.17 176.16 1zit h ASP 9 N 6.29 0.00 -0.33 -0.34 3.58 -1.84 -3.38 116.42 120.40 1zit h ASP 9 Ca -0.31 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.14 1zit h ASP 9 Cb 1.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.23 1zit h ASP 9 CO 0.37 0.00 0.00 1.21 -2.88 0.00 0.00 179.24 177.94 1zit n GLU 10 N -3.45 0.12 -3.82 0.28 2.13 -1.26 -4.79 120.64 109.85 1zit n GLU 10 Ca 0.07 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.77 1zit n GLU 10 Cb 0.68 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.29 1zit n GLU 10 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1zit s GLU 11 N -0.98 0.58 -0.52 5.31 2.12 -1.26 -4.80 118.70 119.16 1zit s GLU 11 Ca 0.00 -0.31 -0.13 0.00 0.36 0.00 0.00 54.97 54.89 1zit s GLU 11 Cb 0.00 0.25 0.02 0.00 0.26 0.00 0.00 34.13 34.66 1zit s GLU 11 CO 0.00 -0.15 0.63 0.43 -0.54 0.00 0.00 175.26 175.63 1zit n SER 12 N 1.33 -7.76 -1.04 -1.70 7.64 -1.26 -4.81 113.62 106.02 1zit n SER 12 Ca -0.22 0.33 0.09 0.00 1.01 0.00 0.00 58.87 60.07 1zit n SER 12 Cb 0.56 -5.14 -0.05 0.00 -1.01 0.00 0.00 64.21 58.56 1zit n SER 12 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1zit n ILE 13 N -0.71 -0.60 -3.43 0.44 2.08 -1.26 -4.86 119.36 111.01 1zit n ILE 13 Ca 0.07 0.55 -0.35 0.00 0.56 0.00 0.00 62.75 63.58 1zit n ILE 13 Cb 0.48 -0.83 -0.06 0.00 -0.75 0.00 0.00 39.64 38.49 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 -4.68 4.94 0.27 1.39 -4.23 -1.26 -5.03 115.64 107.04 1zit s THR 14 Ca 0.00 0.66 -0.30 0.00 -1.18 0.00 0.00 61.69 60.87 1zit s THR 14 Cb 0.00 -3.69 -0.10 0.00 1.34 0.00 0.00 72.50 70.05 1zit s THR 14 CO 0.00 0.21 1.31 -0.55 -0.54 0.00 0.00 174.62 175.05 1zit s SER 15 N -1.84 6.84 0.00 3.99 0.15 -1.26 -2.70 113.70 118.88 1zit s SER 15 Ca 0.38 2.55 0.00 0.00 0.70 0.00 0.00 55.95 59.58 1zit s SER 15 Cb -0.14 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 1zit s SER 15 CO 0.19 -0.53 0.00 -1.20 1.20 0.00 0.00 173.24 172.90 1zit n SER 16 N 1.76 0.00 -0.09 5.45 7.64 -1.26 -4.82 113.62 122.30 1zit n SER 16 Ca 0.03 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.72 1zit n SER 16 Cb 0.42 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.50 1zit n SER 16 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1zit h LEU 17 N 0.00 0.00 -0.51 -3.43 -0.00 -1.92 -3.27 115.31 106.18 1zit h LEU 17 Ca 0.00 -0.67 0.10 0.00 -0.00 0.00 0.00 57.88 57.31 1zit h LEU 17 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 40.66 40.56 1zit h LEU 17 CO 0.00 1.31 -0.31 -1.28 -0.00 0.00 0.00 178.44 178.16 1zit h SER 18 N -1.00 -1.04 -1.01 -0.43 0.87 -1.87 0.30 113.55 109.37 1zit h SER 18 Ca -0.22 0.21 0.07 0.00 -1.23 0.00 0.00 61.79 60.61 1zit h SER 18 Cb 1.18 0.52 -0.07 0.00 -0.44 0.00 0.00 62.40 63.59 1zit h SER 18 CO -0.13 -0.30 0.65 0.00 -0.53 0.00 0.00 176.83 176.52 1zit h ALA 19 N 0.98 1.41 0.02 6.23 0.00 -1.90 -0.62 119.26 125.38 1zit h ALA 19 Ca 0.21 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1zit h ALA 19 Cb 0.53 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1zit h ALA 19 CO -0.61 0.43 -0.01 0.82 0.00 0.00 0.00 179.25 179.88 1zit h ILE 20 N 1.17 0.00 -1.40 0.00 2.04 -0.90 -2.77 117.51 115.65 1zit h ILE 20 Ca 0.44 -0.01 0.41 0.00 1.00 0.00 0.00 64.86 66.69 1zit h ILE 20 Cb 0.19 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.21 1zit h ILE 20 CO -0.18 0.00 1.00 -0.07 0.00 0.00 0.00 178.15 178.90 1zit h LEU 21 N -0.04 0.01 -1.07 1.44 3.38 -0.56 1.52 115.31 119.99 1zit h LEU 21 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1zit h LEU 21 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1zit h LEU 21 CO 0.00 -0.00 -0.43 -0.33 0.09 0.00 0.00 178.44 177.77 1zit h GLU 22 N 0.01 0.06 0.13 1.13 5.08 -1.09 -2.93 114.58 116.97 1zit h GLU 22 Ca 0.67 -0.03 -0.28 0.00 -1.00 0.00 0.00 59.36 58.72 1zit h GLU 22 Cb 2.66 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.91 1zit h GLU 22 CO -0.02 0.48 -1.29 1.49 -1.00 0.00 0.00 179.01 178.68 1zit h GLU 23 N 0.05 0.28 -7.54 2.33 4.81 0.24 -3.46 114.58 111.29 1zit h GLU 23 Ca 0.00 -0.49 -0.46 0.00 -0.13 0.00 0.00 59.36 58.29 1zit h GLU 23 Cb 0.79 0.18 0.13 0.00 0.63 0.00 0.00 28.75 30.48 1zit h GLU 23 CO 0.06 1.22 0.29 -1.21 -0.73 0.00 0.00 179.01 178.64 1zit s GLU 24 N -2.65 0.99 -0.37 1.92 0.41 -0.60 -4.98 118.70 113.43 1zit s GLU 24 Ca -0.05 -0.75 0.02 0.00 -0.41 0.00 0.00 54.97 53.79 1zit s GLU 24 Cb 0.07 -2.04 0.48 0.00 -1.78 0.00 0.00 34.13 30.86 1zit s GLU 24 CO 0.88 -2.06 1.75 0.41 -0.49 0.00 0.00 175.26 175.75 1zit n GLY 25 N -3.41 4.09 2.22 -1.39 0.00 -1.26 -4.90 105.19 100.55 1zit n GLY 25 Ca 0.16 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.69 -3.06 -3.32 1.61 4.01 -1.25 -4.47 117.16 109.98 1zit n TYR 26 Ca 0.46 -1.03 -0.11 0.00 -0.16 0.00 0.00 57.90 57.05 1zit n TYR 26 Cb 1.28 -0.40 -0.06 0.00 -0.31 0.00 0.00 39.34 39.84 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 -1.59 -0.79 0.30 -0.72 2.46 -0.94 -4.86 115.29 109.15 1zit s HIS 27 Ca 0.38 -0.12 -0.29 0.00 0.47 0.00 0.00 55.06 55.50 1zit s HIS 27 Cb -0.02 -0.23 -0.10 0.00 -0.13 0.00 0.00 32.58 32.11 1zit s HIS 27 CO 0.25 -0.99 1.13 -1.25 -2.47 0.00 0.00 174.74 171.41 1zit s PRO 28 N 2.08 4.54 0.00 2.88 0.04 -1.25 -2.05 135.00 141.24 1zit s PRO 28 Ca 0.13 1.86 0.05 0.00 0.04 0.00 0.00 61.00 63.08 1zit s PRO 28 Cb -0.13 -3.11 0.03 0.00 0.04 0.00 0.00 34.50 31.33 1zit s PRO 28 CO -0.19 0.10 0.61 -0.25 0.04 0.00 0.00 177.00 177.31 1zit n ASP 29 N 1.00 1.30 0.00 6.66 9.92 -0.87 -4.94 116.55 129.62 1zit n ASP 29 Ca -0.00 -1.15 0.00 0.00 -0.53 0.00 0.00 54.79 53.11 1zit n ASP 29 Cb 0.45 0.13 0.00 0.00 -0.64 0.00 0.00 41.12 41.06 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 0.12 0.00 -4.23 -3.53 -2.24 -1.26 -4.79 114.28 98.34 1zit n THR 30 Ca 0.03 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.67 1zit n THR 30 Cb 0.13 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.26 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 1.36 1.00 6.98 0.00 -0.63 -4.87 121.76 125.59 1zit s ALA 31 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.50 1zit s ALA 31 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1zit s ALA 31 CO 0.00 -0.12 0.00 1.63 0.00 0.00 0.00 175.76 177.27 1zit n LYS 32 N -0.16 -0.33 -0.86 0.00 5.02 -1.26 -1.11 118.16 119.46 1zit n LYS 32 Ca -0.11 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.84 1zit n LYS 32 Cb 0.61 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.71 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 -1.94 0.00 -0.12 -0.18 -2.24 -1.26 -3.25 114.28 105.28 1zit n THR 33 Ca 0.00 -0.29 0.07 0.00 -2.27 0.00 0.00 64.05 61.57 1zit n THR 33 Cb 0.00 -0.40 0.14 0.00 -2.10 0.00 0.00 70.33 67.97 1zit n THR 33 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1zit n LEU 34 N 0.33 0.01 0.05 3.22 4.77 -1.26 0.58 117.00 124.70 1zit n LEU 34 Ca 0.03 0.61 -0.12 0.00 -0.03 0.00 0.00 56.01 56.50 1zit n LEU 34 Cb 0.56 -0.25 -0.08 0.00 -2.33 0.00 0.00 43.42 41.33 1zit n LEU 34 CO 0.51 -0.64 0.51 -0.09 -1.33 0.00 0.00 177.39 176.35 1zit h ARG 35 N 0.00 -0.51 -0.32 3.23 9.65 -2.00 0.87 114.38 125.31 1zit h ARG 35 Ca 0.25 0.03 -0.07 0.00 -1.10 0.00 0.00 59.98 59.09 1zit h ARG 35 Cb 0.57 0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 29.25 1zit h ARG 35 CO -0.32 -0.34 -0.10 1.49 2.80 0.00 0.00 179.97 183.50 1zit h GLU 36 N -0.53 0.53 0.66 0.20 4.57 -0.08 -2.75 114.58 117.18 1zit h GLU 36 Ca 0.01 -0.15 -0.03 0.00 -1.18 0.00 0.00 59.36 58.01 1zit h GLU 36 Cb 0.56 -0.06 0.01 0.00 -0.16 0.00 0.00 28.75 29.10 1zit h GLU 36 CO -0.26 0.63 -0.32 0.00 -1.18 0.00 0.00 179.01 177.88 1zit h ALA 37 N 1.41 -1.18 -0.99 2.92 0.00 -0.31 -0.52 119.26 120.59 1zit h ALA 37 Ca 0.09 -0.19 0.31 0.00 0.00 0.00 0.00 54.91 55.12 1zit h ALA 37 Cb 0.47 0.34 -0.15 0.00 0.00 0.00 0.00 17.79 18.45 1zit h ALA 37 CO 0.03 -1.11 0.52 0.93 0.00 0.00 0.00 179.25 179.61 1zit h GLU 38 N -0.92 0.29 0.25 0.00 5.08 0.75 0.93 114.58 120.95 1zit h GLU 38 Ca -0.09 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1zit h GLU 38 Cb 0.68 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1zit h GLU 38 CO 0.15 0.19 -0.12 -0.22 -1.00 0.00 0.00 179.01 178.01 1zit h LYS 39 N 0.30 -0.33 -0.37 2.33 3.11 -1.24 0.62 116.57 120.99 1zit h LYS 39 Ca 0.71 0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 58.55 1zit h LYS 39 Cb 1.61 0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 32.89 1zit h LYS 39 CO -0.62 -0.17 0.11 0.87 -2.81 0.00 0.00 179.45 176.82 1zit h LYS 40 N -0.40 0.53 -0.00 1.90 1.79 0.16 -1.35 116.57 119.20 1zit h LYS 40 Ca -0.03 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1zit h LYS 40 Cb 0.30 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1zit h LYS 40 CO 0.06 0.48 -0.15 -0.89 -1.08 0.00 0.00 179.45 177.86 1zit n ILE 41 N -4.36 0.00 -0.43 1.86 5.41 0.27 -3.75 119.36 118.36 1zit n ILE 41 Ca 0.02 -0.06 -0.14 0.00 1.00 0.00 0.00 62.75 63.57 1zit n ILE 41 Cb 0.17 -0.05 0.13 0.00 -0.71 0.00 0.00 39.64 39.18 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 -1.02 1.96 0.07 0.38 4.76 0.21 -4.33 118.16 120.19 1zit n LYS 42 Ca 0.13 -1.97 0.00 0.00 -2.87 0.00 0.00 58.31 53.60 1zit n LYS 42 Cb 0.29 -1.79 0.00 0.00 -1.84 0.00 0.00 35.03 31.70 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 -0.49 0.00 -1.91 1.97 1.02 -1.25 -5.02 120.64 114.96 1zit n GLU 43 Ca 0.37 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.42 1zit n GLU 43 Cb 1.24 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 32.69 1zit n GLU 43 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1zit n LEU 44 N -2.87 0.00 -4.02 -4.62 -0.00 -1.25 -5.11 117.00 99.14 1zit n LEU 44 Ca 0.00 -1.18 -0.31 0.00 -0.00 0.00 0.00 56.01 54.52 1zit n LEU 44 Cb 0.00 -0.21 -0.15 0.00 -0.00 0.00 0.00 43.42 43.05 1zit n LEU 44 CO 0.00 -0.61 -0.45 0.12 -0.00 0.00 0.00 177.39 176.45 1zit s PHE 45 N -0.78 2.84 -0.23 1.47 5.36 -1.26 -4.83 117.98 120.55 1zit s PHE 45 Ca 0.29 -2.00 -0.12 0.00 -0.96 0.00 0.00 56.93 54.14 1zit s PHE 45 Cb -0.02 -1.77 -0.05 0.00 -0.34 0.00 0.00 43.02 40.84 1zit s PHE 45 CO 0.19 -0.82 0.22 -0.06 -1.46 0.00 0.00 175.22 173.28 1zit s PHE 46 N 1.25 3.34 -0.21 10.12 0.08 -1.26 -4.97 117.98 126.33 1zit s PHE 46 Ca -0.06 0.33 0.17 0.00 0.12 0.00 0.00 56.93 57.49 1zit s PHE 46 Cb -0.19 -2.32 0.09 0.00 -0.57 0.00 0.00 43.02 40.03 1zit s PHE 46 CO -0.06 0.07 1.40 -1.00 -0.10 0.00 0.00 175.22 175.52 1zit h PRO 47 N 7.40 0.00 -3.42 0.24 0.14 -1.88 -3.42 132.00 131.05 1zit h PRO 47 Ca -0.38 0.00 -0.27 0.00 0.14 0.00 0.00 66.00 65.49 1zit h PRO 47 Cb 1.17 0.00 -0.32 0.00 0.14 0.00 0.00 31.00 31.98 1zit h PRO 47 CO 0.68 0.37 -0.67 0.08 0.14 0.00 0.00 178.00 178.60 1zit s VAL 48 N -3.02 -0.05 0.16 1.56 1.01 -1.26 0.71 120.40 119.51 1zit s VAL 48 Ca 0.04 0.18 0.10 0.00 0.00 0.00 0.00 61.98 62.30 1zit s VAL 48 Cb 0.07 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.27 1zit s VAL 48 CO 0.74 0.07 -0.21 -0.63 0.00 0.00 0.00 175.10 175.07 1zit s ILE 49 N 1.01 2.57 -0.26 2.22 -1.09 0.22 -0.02 121.20 125.84 1zit s ILE 49 Ca -0.08 -1.77 -0.04 0.00 -2.23 0.00 0.00 60.65 56.52 1zit s ILE 49 Cb -0.11 -2.20 0.09 0.00 -1.58 0.00 0.00 42.46 38.66 1zit s ILE 49 CO -0.04 -0.01 0.12 -0.69 -1.23 0.00 0.00 174.94 173.09 1zit s VAL 50 N -1.38 -0.02 -0.15 2.92 1.01 0.33 -2.10 120.40 121.02 1zit s VAL 50 Ca 0.19 -0.66 -0.16 0.00 0.00 0.00 0.00 61.98 61.35 1zit s VAL 50 Cb -0.09 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1zit s VAL 50 CO 0.10 -0.62 0.37 -0.22 0.00 0.00 0.00 175.10 174.73 1zit s LEU 51 N 2.08 4.25 -0.28 3.92 2.96 -1.25 0.13 118.68 130.49 1zit s LEU 51 Ca 0.07 0.63 -0.03 0.00 -0.22 0.00 0.00 54.13 54.58 1zit s LEU 51 Cb -0.16 -2.51 0.03 0.00 0.50 0.00 0.00 46.19 44.05 1zit s LEU 51 CO -0.30 0.04 -0.00 -0.62 -1.32 0.00 0.00 176.35 174.15 1zit s ASP 52 N 0.59 4.72 -0.86 3.68 -1.08 0.26 -1.89 116.67 122.09 1zit s ASP 52 Ca 0.20 -0.98 -0.07 0.00 -0.52 0.00 0.00 52.55 51.18 1zit s ASP 52 Cb -0.14 -1.73 -0.12 0.00 -1.46 0.00 0.00 42.92 39.46 1zit s ASP 52 CO 0.07 -0.19 2.73 1.33 0.52 0.00 0.00 175.17 179.63 1zit n VAL 53 N 4.70 3.11 0.00 1.11 0.24 -1.26 -3.90 118.33 122.34 1zit n VAL 53 Ca -0.15 -1.77 0.00 0.00 -2.04 0.00 0.00 64.34 60.38 1zit n VAL 53 Cb 0.46 -2.23 0.00 0.00 -1.47 0.00 0.00 33.84 30.60 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 3.42 0.00 -2.73 6.34 -0.00 -1.26 -4.79 117.44 118.42 1zit n TRP 54 Ca 0.53 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.94 1zit n TRP 54 Cb 0.38 0.00 0.06 0.00 -0.00 0.00 0.00 31.31 31.75 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 -0.44 1.14 0.00 5.87 2.81 -1.26 -5.06 117.12 120.17 1zit n MET 55 Ca 0.00 -2.63 0.00 0.00 -1.81 0.00 0.00 57.70 53.26 1zit n MET 55 Cb 0.00 -0.82 0.00 0.00 -0.71 0.00 0.00 33.22 31.69 1zit n MET 55 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 1zit n PRO 56 N -0.19 2.43 -1.00 0.03 -0.02 -1.26 -4.96 135.00 130.03 1zit n PRO 56 Ca 0.06 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.48 1zit n PRO 56 Cb 0.81 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 34.24 1zit n PRO 56 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1zit n ASP 57 N 0.00 -0.86 -3.97 2.55 5.75 -1.26 -5.13 116.55 113.64 1zit n ASP 57 Ca 0.00 -1.70 -0.20 0.00 -0.01 0.00 0.00 54.79 52.89 1zit n ASP 57 Cb 0.00 0.27 -0.16 0.00 -1.03 0.00 0.00 41.12 40.20 1zit n ASP 57 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1zit s GLY 58 N -0.85 0.48 -0.36 6.12 0.00 -1.26 -5.08 107.32 106.37 1zit s GLY 58 Ca 0.00 -0.24 -0.28 0.00 0.00 0.00 0.00 44.72 44.21 1zit s GLY 58 CO -0.01 0.05 2.31 1.34 0.00 0.00 0.00 173.10 176.80 1zit n ASP 59 N 3.47 2.71 0.05 1.64 -0.08 -1.26 -4.82 116.55 118.26 1zit n ASP 59 Ca -0.20 -0.07 -0.05 0.00 -1.51 0.00 0.00 54.79 52.97 1zit n ASP 59 Cb 0.54 -1.53 0.15 0.00 2.34 0.00 0.00 41.12 42.62 1zit n ASP 59 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1zit h GLY 60 N 16.62 0.39 0.60 0.27 0.00 -1.99 -3.01 103.07 115.96 1zit h GLY 60 Ca -0.32 -0.41 0.10 0.00 0.00 0.00 0.00 47.33 46.71 1zit h GLY 60 CO 1.06 0.37 0.62 -2.08 0.00 0.00 0.00 176.54 176.50 1zit h VAL 61 N 0.29 0.96 0.00 4.60 2.07 -1.89 0.26 116.25 122.55 1zit h VAL 61 Ca 0.02 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 1zit h VAL 61 Cb 0.92 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1zit h VAL 61 CO 0.08 0.18 -0.26 0.78 0.02 0.00 0.00 177.57 178.36 1zit h ASN 62 N 0.98 0.00 0.75 0.57 2.35 -1.92 -3.00 115.58 115.31 1zit h ASN 62 Ca 0.46 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 56.04 1zit h ASN 62 Cb 0.42 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 1zit h ASN 62 CO -0.22 0.26 -0.77 0.15 -1.65 0.00 0.00 177.43 175.20 1zit h PHE 63 N 0.00 0.02 -0.96 1.19 3.57 -0.43 -3.19 116.94 117.14 1zit h PHE 63 Ca -0.00 -0.01 0.25 0.00 3.53 0.00 0.00 57.97 61.73 1zit h PHE 63 Cb 0.92 -0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.59 1zit h PHE 63 CO 0.00 0.78 0.65 0.82 -2.23 0.00 0.00 178.31 178.33 1zit h ILE 64 N 0.01 0.58 -0.26 1.41 1.08 -0.99 0.22 117.51 119.56 1zit h ILE 64 Ca -0.01 -0.09 -0.19 0.00 -0.39 0.00 0.00 64.86 64.18 1zit h ILE 64 Cb 1.36 0.29 0.00 0.00 -3.07 0.00 0.00 36.82 35.40 1zit h ILE 64 CO 0.10 0.05 -0.58 -0.78 -0.69 0.00 0.00 178.15 176.25 1zit h ASP 65 N 0.27 0.94 -0.73 1.72 3.58 -1.72 -3.07 116.42 117.43 1zit h ASP 65 Ca 0.50 -0.52 0.09 0.00 0.42 0.00 0.00 57.03 57.51 1zit h ASP 65 Cb 1.48 -0.27 -0.07 0.00 1.72 0.00 0.00 39.33 42.19 1zit h ASP 65 CO -0.15 1.32 0.38 0.15 -2.88 0.00 0.00 179.24 178.05 1zit h PHE 66 N 0.64 0.69 -0.39 0.28 3.04 -0.71 1.23 116.94 121.72 1zit h PHE 66 Ca 0.01 0.03 0.01 0.00 3.98 0.00 0.00 57.97 61.99 1zit h PHE 66 Cb 1.19 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 39.47 1zit h PHE 66 CO 0.07 0.27 0.24 0.82 -2.02 0.00 0.00 178.31 177.70 1zit h ILE 67 N 0.66 1.07 0.00 1.41 5.03 -1.43 -1.19 117.51 123.05 1zit h ILE 67 Ca 0.35 -0.17 0.00 0.00 -0.12 0.00 0.00 64.86 64.92 1zit h ILE 67 Cb 0.33 0.53 0.00 0.00 -3.03 0.00 0.00 36.82 34.65 1zit h ILE 67 CO -0.25 0.09 0.00 0.29 -0.68 0.00 0.00 178.15 177.60 1zit n LYS 68 N -4.84 0.18 -0.01 2.37 5.02 -0.63 0.41 118.16 120.66 1zit n LYS 68 Ca 0.01 0.16 -0.17 0.00 -2.02 0.00 0.00 58.31 56.29 1zit n LYS 68 Cb 0.04 -1.71 -0.09 0.00 -0.02 0.00 0.00 35.03 33.24 1zit n LYS 68 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1zit h GLU 69 N 0.00 0.53 -0.05 1.97 4.81 0.26 -3.25 114.58 118.86 1zit h GLU 69 Ca 0.00 -0.48 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1zit h GLU 69 Cb 0.64 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1zit h GLU 69 CO 0.00 1.11 0.00 0.27 -0.73 0.00 0.00 179.01 179.66 1zit n ASN 70 N -4.17 2.31 -2.74 1.04 0.23 -0.67 -4.79 115.26 106.47 1zit n ASN 70 Ca -0.09 -2.39 -0.08 0.00 -0.53 0.00 0.00 54.58 51.49 1zit n ASN 70 Cb 0.66 -0.19 0.07 0.00 -2.08 0.00 0.00 39.78 38.24 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 -0.68 -2.63 0.27 0.53 7.64 0.17 -4.93 113.62 113.99 1zit n SER 71 Ca 0.07 -3.37 0.18 0.00 1.01 0.00 0.00 58.87 56.76 1zit n SER 71 Cb 0.42 1.82 0.73 0.00 -1.01 0.00 0.00 64.21 66.17 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 3.60 0.00 -0.74 1.43 0.11 -1.67 -2.59 132.00 132.14 1zit h PRO 72 Ca -0.14 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.65 1zit h PRO 72 Cb 1.06 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 31.98 1zit h PRO 72 CO 0.24 0.00 0.34 -3.47 -0.21 0.00 0.00 178.00 174.90 1zit n ASP 73 N -3.03 3.90 0.00 -2.05 -0.08 -1.26 -4.95 116.55 109.08 1zit n ASP 73 Ca 0.00 -3.47 0.00 0.00 -1.51 0.00 0.00 54.79 49.81 1zit n ASP 73 Cb 0.28 -0.75 0.00 0.00 2.34 0.00 0.00 41.12 42.98 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 -0.76 0.76 -3.74 1.67 2.88 -0.98 -4.63 113.62 108.83 1zit n SER 74 Ca 0.46 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.87 1zit n SER 74 Cb 1.41 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 64.76 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 1.73 -0.01 -0.55 2.46 1.01 0.22 -4.88 120.40 120.38 1zit s VAL 75 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1zit s VAL 75 Cb 0.00 -0.52 0.14 0.00 0.00 0.00 0.00 36.38 36.00 1zit s VAL 75 CO 0.00 0.01 0.32 -0.69 0.00 0.00 0.00 175.10 174.74 1zit s VAL 76 N 0.48 3.10 -0.04 2.92 1.01 -1.26 0.70 120.40 127.31 1zit s VAL 76 Ca -0.02 -3.03 -0.15 0.00 0.00 0.00 0.00 61.98 58.77 1zit s VAL 76 Cb -0.04 -3.09 -0.09 0.00 0.00 0.00 0.00 36.38 33.16 1zit s VAL 76 CO -0.02 -0.81 0.64 0.40 0.00 0.00 0.00 175.10 175.30 1zit h ILE 77 N 5.52 0.11 -5.61 2.22 1.08 -1.81 -0.35 117.51 118.68 1zit h ILE 77 Ca -0.05 -0.68 0.00 0.00 -0.39 0.00 0.00 64.86 63.74 1zit h ILE 77 Cb 0.93 0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 34.85 1zit h ILE 77 CO 0.69 0.03 -0.99 0.52 -0.69 0.00 0.00 178.15 177.71 1zit n VAL 78 N -5.10 -7.93 -4.63 1.67 0.31 -1.26 -3.30 118.33 98.10 1zit n VAL 78 Ca -0.07 1.39 -0.31 0.00 -0.01 0.00 0.00 64.34 65.35 1zit n VAL 78 Cb 0.21 -5.19 -0.13 0.00 -0.91 0.00 0.00 33.84 27.82 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 -1.11 2.76 0.00 2.52 1.01 -0.79 -4.32 121.20 121.26 1zit s ILE 79 Ca -0.05 -1.24 0.00 0.00 0.00 0.00 0.00 60.65 59.36 1zit s ILE 79 Cb 0.00 -2.17 0.00 0.00 0.01 0.00 0.00 42.46 40.30 1zit s ILE 79 CO 0.46 0.31 0.00 0.35 0.00 0.00 0.00 174.94 176.06 1zit n THR 80 N 1.47 0.00 -3.61 2.92 -2.24 -1.26 -4.24 114.28 107.32 1zit n THR 80 Ca -0.16 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.24 1zit n THR 80 Cb 0.52 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.64 1zit n THR 80 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1zit s GLY 81 N 0.00 1.91 -0.05 3.38 0.00 -1.26 -4.90 107.32 106.41 1zit s GLY 81 Ca 0.00 -1.12 0.14 0.00 0.00 0.00 0.00 44.72 43.74 1zit s GLY 81 CO 0.00 0.65 1.12 1.42 0.00 0.00 0.00 173.10 176.29 1zit n HIS 82 N 5.05 -0.07 0.00 1.90 8.25 -1.26 -4.94 115.22 124.15 1zit n HIS 82 Ca -0.14 -0.73 0.00 0.00 -0.26 0.00 0.00 57.72 56.59 1zit n HIS 82 Cb 0.52 0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.89 1zit n HIS 82 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1zit n GLY 83 N 0.03 -0.73 3.70 -1.41 0.00 -1.26 -5.15 105.19 100.38 1zit n GLY 83 Ca -0.10 0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 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 -4.00 4.32 -1.53 1.61 0.01 -1.26 -5.03 113.70 107.83 1zit s SER 84 Ca 0.00 -1.07 -0.09 0.00 1.31 0.00 0.00 55.95 56.10 1zit s SER 84 Cb 0.00 -0.50 -0.03 0.00 0.21 0.00 0.00 66.02 65.70 1zit s SER 84 CO 0.00 -0.45 2.80 1.33 0.41 0.00 0.00 173.24 177.33 1zit n VAL 85 N -1.14 4.60 -0.07 3.43 0.24 -1.26 -4.25 118.33 119.88 1zit n VAL 85 Ca -0.02 -3.10 -0.06 0.00 -2.04 0.00 0.00 64.34 59.12 1zit n VAL 85 Cb 0.64 -2.45 -0.13 0.00 -1.47 0.00 0.00 33.84 30.43 1zit n VAL 85 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1zit n ASP 86 N 3.02 0.98 0.03 -1.34 8.00 -1.26 -4.09 116.55 121.88 1zit n ASP 86 Ca 0.74 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 56.13 1zit n ASP 86 Cb 0.24 1.01 -0.13 0.00 -0.02 0.00 0.00 41.12 42.22 1zit n ASP 86 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1zit h THR 87 N 0.00 1.19 0.62 -3.53 1.03 -1.99 -3.24 112.91 106.99 1zit h THR 87 Ca -0.39 -2.94 -0.03 0.00 -0.01 0.00 0.00 66.41 63.04 1zit h THR 87 Cb 1.86 2.64 0.01 0.00 -1.07 0.00 0.00 68.15 71.59 1zit h THR 87 CO 0.02 0.74 -0.30 0.00 -0.01 0.00 0.00 175.52 175.97 1zit h ALA 88 N 0.84 -0.83 -0.76 0.00 0.00 -1.86 -1.81 119.26 114.83 1zit h ALA 88 Ca -0.19 -0.20 0.21 0.00 0.00 0.00 0.00 54.91 54.73 1zit h ALA 88 Cb 1.94 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 20.02 1zit h ALA 88 CO 0.12 -0.93 0.54 -0.39 0.00 0.00 0.00 179.25 178.59 1zit h VAL 89 N -0.91 0.64 0.00 0.00 -1.51 -1.71 0.73 116.25 113.49 1zit h VAL 89 Ca -0.09 -0.02 -0.04 0.00 -1.23 0.00 0.00 66.70 65.32 1zit h VAL 89 Cb 0.67 0.57 -0.01 0.00 -2.13 0.00 0.00 31.29 30.39 1zit h VAL 89 CO 0.14 0.01 -0.19 0.50 -1.23 0.00 0.00 177.57 176.80 1zit h LYS 90 N 0.06 0.00 0.02 5.19 3.64 -1.45 -2.37 116.57 121.67 1zit h LYS 90 Ca 0.37 0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 59.36 1zit h LYS 90 Cb 1.37 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.13 1zit h LYS 90 CO -0.03 0.19 -2.40 0.00 -2.27 0.00 0.00 179.45 174.94 1zit n ALA 91 N -2.16 1.34 -0.07 5.00 0.00 0.20 -4.13 120.51 120.68 1zit n ALA 91 Ca 0.02 -1.03 -0.14 0.00 0.00 0.00 0.00 53.44 52.29 1zit n ALA 91 Cb 0.52 -0.18 -0.06 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.06 1.32 0.00 0.00 3.07 0.03 -2.06 117.51 119.82 1zit h ILE 92 Ca -0.56 -1.57 -0.00 0.00 1.55 0.00 0.00 64.86 64.28 1zit h ILE 92 Cb 1.90 1.78 -0.00 0.00 -0.27 0.00 0.00 36.82 40.22 1zit h ILE 92 CO -0.09 0.49 -0.02 0.50 -1.05 0.00 0.00 178.15 177.98 1zit h LYS 93 N 0.34 0.00 0.01 0.16 3.64 -1.61 -2.91 116.57 116.19 1zit h LYS 93 Ca 0.02 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1zit h LYS 93 Cb 0.95 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1zit h LYS 93 CO 0.08 0.02 -0.00 0.87 -2.27 0.00 0.00 179.45 178.15 1zit h LYS 94 N 0.00 -0.01 0.00 1.90 1.79 -1.66 -3.47 116.57 115.11 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 0.08 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.73 1zit h LYS 94 CO 0.00 0.21 -0.01 0.41 -1.08 0.00 0.00 179.45 178.98 1zit n GLY 95 N 1.70 -0.43 0.00 3.86 0.00 -0.90 -5.00 105.19 104.43 1zit n GLY 95 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 -0.04 4.61 0.00 -0.82 -4.59 120.51 119.67 1zit n ALA 96 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.47 1zit n ALA 96 Cb 0.23 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.67 0.00 0.00 0.00 9.36 -0.14 -4.79 117.16 120.92 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 -0.60 0.00 0.00 -0.63 0.00 0.00 39.34 38.11 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 -2.35 0.00 -2.27 2.98 0.28 -1.26 -4.98 120.64 113.04 1zit n GLU 98 Ca -0.12 0.00 -0.00 0.00 -0.16 0.00 0.00 57.16 56.88 1zit n GLU 98 Cb 0.70 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.57 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 -1.53 -0.77 -1.84 7.35 -1.21 -4.88 117.46 114.58 1zit n PHE 99 Ca 0.00 0.59 -0.34 0.00 -0.76 0.00 0.00 57.45 56.94 1zit n PHE 99 Cb 0.00 -2.81 0.13 0.00 0.35 0.00 0.00 39.48 37.15 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 -1.27 -2.08 -3.90 -2.13 7.94 -1.26 -4.94 117.00 109.36 1zit n LEU 100 Ca 0.01 0.05 -0.30 0.00 -1.11 0.00 0.00 56.01 54.66 1zit n LEU 100 Cb 0.47 -0.96 -0.15 0.00 0.53 0.00 0.00 43.42 43.31 1zit n LEU 100 CO 0.26 -3.44 -0.30 -1.61 -1.11 0.00 0.00 177.39 171.20 1zit s GLU 101 N -3.21 1.33 -0.34 1.96 2.02 -1.26 -4.43 118.70 114.77 1zit s GLU 101 Ca 0.53 -1.80 0.16 0.00 0.02 0.00 0.00 54.97 53.88 1zit s GLU 101 Cb -0.12 -2.82 0.43 0.00 0.10 0.00 0.00 34.13 31.72 1zit s GLU 101 CO 0.68 -1.00 0.96 0.36 0.02 0.00 0.00 175.26 176.28 1zit n LYS 102 N 4.16 1.12 0.00 1.61 -0.00 -1.26 -4.91 118.16 118.88 1zit n LYS 102 Ca 0.03 -3.11 0.09 0.00 -0.00 0.00 0.00 58.31 55.32 1zit n LYS 102 Cb 0.40 -1.20 0.45 0.00 -0.00 0.00 0.00 35.03 34.68 1zit n LYS 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1zit n PRO 103 N -0.05 0.25 0.00 -1.58 -0.04 -1.26 -4.07 135.00 128.25 1zit n PRO 103 Ca 0.10 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1zit n PRO 103 Cb 0.80 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 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 -1.29 0.00 -3.56 0.54 3.72 -1.26 -5.01 117.46 110.60 1zit n PHE 104 Ca 0.08 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.08 1zit n PHE 104 Cb 0.14 0.24 -0.08 0.00 -0.94 0.00 0.00 39.48 38.84 1zit n PHE 104 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1zit s SER 105 N -4.14 5.76 0.00 4.37 1.04 -1.26 -4.90 113.70 114.57 1zit s SER 105 Ca 0.00 -2.28 0.31 0.00 0.48 0.00 0.00 55.95 54.46 1zit s SER 105 Cb 0.00 -2.00 1.61 0.00 0.10 0.00 0.00 66.02 65.73 1zit s SER 105 CO 0.00 -0.59 2.07 0.55 0.98 0.00 0.00 173.24 176.25 1zit n VAL 106 N 4.40 0.00 -0.12 5.02 3.14 -1.26 -3.57 118.33 125.94 1zit n VAL 106 Ca -0.00 -0.04 -0.12 0.00 -2.96 0.00 0.00 64.34 61.21 1zit n VAL 106 Cb 0.41 -0.31 -0.03 0.00 -1.06 0.00 0.00 33.84 32.85 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 0.38 0.79 -0.46 1.45 4.81 -1.93 -2.54 114.58 117.09 1zit h GLU 107 Ca 0.00 -0.38 -0.01 0.00 -0.13 0.00 0.00 59.36 58.85 1zit h GLU 107 Cb 0.18 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1zit h GLU 107 CO 0.00 1.00 0.26 -0.09 -0.73 0.00 0.00 179.01 179.45 1zit h ARG 108 N 0.58 0.63 -0.90 1.92 2.43 -1.97 -0.92 114.38 116.15 1zit h ARG 108 Ca 0.07 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1zit h ARG 108 Cb 0.80 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.18 1zit h ARG 108 CO 0.07 0.46 0.51 0.35 -1.51 0.00 0.00 179.97 179.85 1zit h PHE 109 N 0.64 1.22 -0.49 2.20 3.57 -1.65 -2.73 116.94 119.71 1zit h PHE 109 Ca 0.17 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.74 1zit h PHE 109 Cb 0.01 -0.39 -0.10 0.00 2.79 0.00 0.00 35.95 38.25 1zit h PHE 109 CO 0.00 0.83 -0.21 1.25 -2.23 0.00 0.00 178.31 177.96 1zit h LEU 110 N 1.26 -0.73 -0.43 0.59 6.46 -0.76 0.05 115.31 121.74 1zit h LEU 110 Ca 0.32 0.18 0.04 0.00 -0.12 0.00 0.00 57.88 58.29 1zit h LEU 110 Cb 0.00 0.40 -0.04 0.00 -0.73 0.00 0.00 40.66 40.30 1zit h LEU 110 CO -0.05 -0.24 0.20 -0.07 -0.62 0.00 0.00 178.44 177.66 1zit h LEU 111 N -0.10 0.28 -0.94 2.25 4.07 -1.47 -2.38 115.31 117.01 1zit h LEU 111 Ca 0.23 0.03 -0.00 0.00 0.08 0.00 0.00 57.88 58.21 1zit h LEU 111 Cb 0.46 -0.02 -0.05 0.00 1.08 0.00 0.00 40.66 42.13 1zit h LEU 111 CO -0.56 0.20 0.57 0.74 -1.08 0.00 0.00 178.44 178.32 1zit h THR 112 N 0.41 1.26 -0.41 0.22 2.02 -1.16 -3.02 112.91 112.23 1zit h THR 112 Ca 0.19 -0.55 0.08 0.00 0.77 0.00 0.00 66.41 66.90 1zit h THR 112 Cb 0.12 -0.08 -0.09 0.00 -1.74 0.00 0.00 68.15 66.36 1zit h THR 112 CO -0.15 0.27 -0.34 0.40 0.37 0.00 0.00 175.52 176.07 1zit h ILE 113 N 1.30 0.21 -0.33 3.11 1.08 -0.49 -0.82 117.51 121.57 1zit h ILE 113 Ca 0.34 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.86 1zit h ILE 113 Cb -0.06 0.21 -0.08 0.00 -3.07 0.00 0.00 36.82 33.82 1zit h ILE 113 CO -0.06 0.00 -0.52 0.50 -0.69 0.00 0.00 178.15 177.37 1zit h LYS 114 N -0.26 -0.42 -0.78 2.37 3.11 -1.49 0.59 116.57 119.70 1zit h LYS 114 Ca 0.17 0.03 0.23 0.00 -2.81 0.00 0.00 60.65 58.27 1zit h LYS 114 Cb 0.55 0.09 -0.03 0.00 -1.00 0.00 0.00 32.23 31.84 1zit h LYS 114 CO -0.55 -0.28 0.59 1.25 -2.81 0.00 0.00 179.45 177.65 1zit h HIS 115 N -0.43 0.00 -0.26 1.91 2.76 -1.40 0.41 115.15 118.14 1zit h HIS 115 Ca 0.08 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.18 1zit h HIS 115 Cb 0.62 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.56 1zit h HIS 115 CO -0.66 0.00 -0.12 0.00 -1.30 0.00 0.00 177.93 175.84 1zit h ALA 116 N 1.56 1.30 0.00 5.26 0.00 0.16 -2.37 119.26 125.17 1zit h ALA 116 Ca 0.37 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1zit h ALA 116 Cb 1.54 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1zit h ALA 116 CO -0.00 0.47 -0.28 0.74 0.00 0.00 0.00 179.25 180.18 1zit h PHE 117 N 0.41 0.00 -0.43 0.00 -1.00 0.36 -3.24 116.94 113.05 1zit h PHE 117 Ca 0.08 0.00 0.12 0.00 2.81 0.00 0.00 57.97 60.98 1zit h PHE 117 Cb 0.47 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.01 1zit h PHE 117 CO 0.01 0.28 0.47 0.93 -1.61 0.00 0.00 178.31 178.40 1zit h GLU 118 N 0.00 0.00 0.00 1.51 5.08 -0.99 0.57 114.58 120.74 1zit h GLU 118 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1zit h GLU 118 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1zit h GLU 118 CO 0.04 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.44 1zit n GLU 119 N -3.67 0.11 -2.04 2.33 -0.58 -1.22 -2.69 120.64 112.88 1zit n GLU 119 Ca 0.08 0.41 0.01 0.00 -0.42 0.00 0.00 57.16 57.24 1zit n GLU 119 Cb 0.65 -1.73 0.04 0.00 -0.57 0.00 0.00 31.44 29.83 1zit n GLU 119 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 1zit n TYR 120 N -1.94 0.63 -0.52 -0.32 4.19 0.19 -4.97 117.16 114.42 1zit n TYR 120 Ca 0.02 -1.30 0.00 0.00 3.31 0.00 0.00 57.90 59.93 1zit n TYR 120 Cb 0.16 -0.20 0.00 0.00 0.49 0.00 0.00 39.34 39.80 1zit n TYR 120 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20