#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 0.44 -0.07 3.17 -0.14 -1.26 -5.11 119.74 116.77 1zit s LYS 2 Ca 0.00 -0.48 -0.05 0.00 -1.36 0.00 0.00 55.97 54.08 1zit s LYS 2 Cb 0.00 -0.74 0.03 0.00 -1.68 0.00 0.00 37.83 35.44 1zit s LYS 2 CO 0.00 -1.10 0.18 1.03 -0.76 0.00 0.00 175.35 174.70 1zit s ARG 3 N 1.95 0.17 0.03 1.68 3.00 -1.26 0.94 118.95 125.45 1zit s ARG 3 Ca 0.12 0.32 0.06 0.00 0.00 0.00 0.00 55.73 56.24 1zit s ARG 3 Cb -0.15 -0.02 -0.02 0.00 0.00 0.00 0.00 34.95 34.76 1zit s ARG 3 CO -0.21 -0.09 -0.17 0.08 0.00 0.00 0.00 175.30 174.91 1zit s VAL 4 N 0.60 1.39 -0.24 3.52 1.01 -1.20 -3.83 120.40 121.66 1zit s VAL 4 Ca -0.04 -1.01 -0.10 0.00 0.00 0.00 0.00 61.98 60.83 1zit s VAL 4 Cb -0.06 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 1zit s VAL 4 CO -0.03 0.18 0.16 -0.22 0.00 0.00 0.00 175.10 175.19 1zit s LEU 5 N -0.96 4.12 -0.67 3.92 2.96 0.12 -1.61 118.68 126.55 1zit s LEU 5 Ca 0.05 0.12 -0.03 0.00 -0.22 0.00 0.00 54.13 54.05 1zit s LEU 5 Cb -0.08 -2.10 0.17 0.00 0.50 0.00 0.00 46.19 44.68 1zit s LEU 5 CO 0.01 0.07 0.50 -0.69 -1.32 0.00 0.00 176.35 174.92 1zit s VAL 6 N 1.01 3.83 -0.64 1.68 1.01 -1.26 0.11 120.40 126.14 1zit s VAL 6 Ca 0.08 -3.11 -0.27 0.00 0.00 0.00 0.00 61.98 58.67 1zit s VAL 6 Cb -0.13 -3.47 0.03 0.00 0.00 0.00 0.00 36.38 32.81 1zit s VAL 6 CO 0.04 -0.91 1.19 -0.69 0.00 0.00 0.00 175.10 174.73 1zit s VAL 7 N -0.28 3.96 -0.01 2.92 1.01 0.19 -0.30 120.40 127.90 1zit s VAL 7 Ca 0.19 0.59 0.01 0.00 0.00 0.00 0.00 61.98 62.77 1zit s VAL 7 Cb -0.18 -4.78 0.00 0.00 0.00 0.00 0.00 36.38 31.42 1zit s VAL 7 CO -0.05 -1.52 -0.03 -0.62 0.00 0.00 0.00 175.10 172.88 1zit s ASP 8 N 3.28 0.45 -0.49 3.32 2.15 -1.20 0.10 116.67 124.29 1zit s ASP 8 Ca 0.38 -0.07 -0.01 0.00 0.43 0.00 0.00 52.55 53.28 1zit s ASP 8 Cb -0.09 -0.08 0.37 0.00 -0.30 0.00 0.00 42.92 42.83 1zit s ASP 8 CO 0.20 0.03 1.98 -0.67 -0.17 0.00 0.00 175.17 176.54 1zit n ASP 9 N 3.12 6.64 -3.88 -0.34 2.03 -1.10 -3.90 116.55 119.12 1zit n ASP 9 Ca -0.14 -3.44 -0.10 0.00 0.52 0.00 0.00 54.79 51.63 1zit n ASP 9 Cb 0.58 -0.98 -0.06 0.00 -0.72 0.00 0.00 41.12 39.94 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 -2.89 1.22 0.12 -0.67 2.56 -1.26 -4.76 118.70 113.01 1zit s GLU 10 Ca 0.49 -1.06 -0.05 0.00 0.00 0.00 0.00 54.97 54.35 1zit s GLU 10 Cb 0.39 0.42 -0.13 0.00 2.00 0.00 0.00 34.13 36.81 1zit s GLU 10 CO 0.01 -0.47 1.27 0.93 -0.56 0.00 0.00 175.26 176.44 1zit h GLU 11 N 2.44 0.42 0.00 4.30 4.39 -2.00 -3.45 114.58 120.68 1zit h GLU 11 Ca -0.31 -0.48 -0.11 0.00 0.34 0.00 0.00 59.36 58.80 1zit h GLU 11 Cb 1.24 0.14 0.06 0.00 -0.10 0.00 0.00 28.75 30.09 1zit h GLU 11 CO 0.45 1.14 -0.05 0.45 -1.16 0.00 0.00 179.01 179.84 1zit n SER 12 N -3.73 -2.59 0.00 1.42 2.88 -1.26 -3.56 113.62 106.78 1zit n SER 12 Ca -0.07 -0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.21 1zit n SER 12 Cb 0.86 -0.30 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1zit n SER 12 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1zit n ILE 13 N -3.81 0.00 0.23 2.46 2.08 -1.26 -3.80 119.36 115.26 1zit n ILE 13 Ca 0.04 0.00 0.18 0.00 0.56 0.00 0.00 62.75 63.53 1zit n ILE 13 Cb 0.18 0.00 0.81 0.00 -0.75 0.00 0.00 39.64 39.88 1zit n ILE 13 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 1zit h THR 14 N 0.00 0.19 -0.36 1.39 1.35 -1.86 0.93 112.91 114.55 1zit h THR 14 Ca 0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 65.78 1zit h THR 14 Cb 0.00 0.69 -0.05 0.00 -1.73 0.00 0.00 68.15 67.06 1zit h THR 14 CO 0.00 0.00 0.11 -0.24 -0.25 0.00 0.00 175.52 175.14 1zit n SER 15 N -3.30 3.41 0.08 5.36 2.88 -1.23 -3.93 113.62 116.90 1zit n SER 15 Ca 0.02 -2.58 0.00 0.00 -1.33 0.00 0.00 58.87 54.97 1zit n SER 15 Cb 0.45 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 1zit n SER 15 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1zit n SER 16 N 0.11 -1.48 0.04 -3.46 2.88 0.76 -4.91 113.62 107.57 1zit n SER 16 Ca 0.19 0.35 -0.11 0.00 -1.33 0.00 0.00 58.87 57.97 1zit n SER 16 Cb 0.85 1.65 -0.05 0.00 -0.75 0.00 0.00 64.21 65.91 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 0.00 -0.21 -0.02 2.46 7.12 0.48 0.16 115.31 125.30 1zit h LEU 17 Ca 0.00 0.04 0.02 0.00 0.13 0.00 0.00 57.88 58.07 1zit h LEU 17 Cb 0.00 0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 40.20 1zit h LEU 17 CO 0.00 -0.11 -0.11 0.28 -0.13 0.00 0.00 178.44 178.38 1zit h SER 18 N -0.12 -0.32 -0.98 1.25 0.02 -1.68 -1.54 113.55 110.18 1zit h SER 18 Ca 0.04 0.05 0.11 0.00 -0.84 0.00 0.00 61.79 61.14 1zit h SER 18 Cb 0.17 0.14 -0.08 0.00 0.14 0.00 0.00 62.40 62.77 1zit h SER 18 CO -0.09 -0.15 0.63 0.00 -1.14 0.00 0.00 176.83 176.07 1zit h ALA 19 N 0.81 1.53 0.27 3.77 0.00 -1.70 -0.74 119.26 123.21 1zit h ALA 19 Ca 0.05 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1zit h ALA 19 Cb 0.24 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1zit h ALA 19 CO -0.12 0.25 -0.16 0.82 0.00 0.00 0.00 179.25 180.03 1zit h ILE 20 N 1.00 0.00 -1.03 0.00 2.04 0.22 -1.65 117.51 118.10 1zit h ILE 20 Ca 0.47 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.62 1zit h ILE 20 Cb 0.43 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.46 1zit h ILE 20 CO -0.23 0.00 0.72 -0.07 0.00 0.00 0.00 178.15 178.57 1zit h LEU 21 N -0.40 0.10 -1.51 1.44 3.38 -1.12 1.09 115.31 118.30 1zit h LEU 21 Ca -0.04 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1zit h LEU 21 Cb 0.32 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1zit h LEU 21 CO 0.04 0.03 -0.20 -0.08 0.09 0.00 0.00 178.44 178.32 1zit h GLU 22 N 0.09 0.07 0.12 1.13 4.81 -0.59 0.36 114.58 120.58 1zit h GLU 22 Ca 0.51 -0.02 -0.28 0.00 -0.13 0.00 0.00 59.36 59.44 1zit h GLU 22 Cb 1.84 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.21 1zit h GLU 22 CO -0.07 0.27 -1.27 1.49 -0.73 0.00 0.00 179.01 178.70 1zit h GLU 23 N 0.07 0.26 0.00 1.92 4.81 0.21 -3.21 114.58 118.65 1zit h GLU 23 Ca 0.01 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1zit h GLU 23 Cb 0.39 0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1zit h GLU 23 CO 0.03 1.20 0.00 0.39 -0.73 0.00 0.00 179.01 179.90 1zit n GLU 24 N -3.52 0.10 0.00 1.92 -0.58 -0.66 -4.89 120.64 113.02 1zit n GLU 24 Ca -0.09 0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 1zit n GLU 24 Cb 1.02 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 30.24 1zit n GLU 24 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1zit n GLY 25 N 0.72 0.64 2.30 0.62 0.00 -0.35 -5.08 105.19 104.04 1zit n GLY 25 Ca 0.05 -0.28 -0.19 0.00 0.00 0.00 0.00 46.02 45.60 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 0.37 -3.26 1.61 4.01 0.11 -4.75 117.16 115.25 1zit n TYR 26 Ca 0.00 -1.71 -0.25 0.00 -0.16 0.00 0.00 57.90 55.78 1zit n TYR 26 Cb 0.00 -0.09 -0.08 0.00 -0.31 0.00 0.00 39.34 38.86 1zit n TYR 26 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 1zit n HIS 27 N -0.70 0.03 -1.79 -0.72 -0.00 0.27 -4.52 115.22 107.79 1zit n HIS 27 Ca -0.08 -3.60 -0.41 0.00 0.46 0.00 0.00 57.72 54.09 1zit n HIS 27 Cb 0.41 -0.27 -0.00 0.00 -0.12 0.00 0.00 29.99 30.01 1zit n HIS 27 CO 0.00 0.00 0.00 -2.14 0.46 0.00 0.00 176.34 174.66 1zit s PRO 28 N -1.11 4.11 0.00 1.57 0.02 -1.26 -3.25 135.00 135.07 1zit s PRO 28 Ca 0.35 2.58 0.00 0.00 0.02 0.00 0.00 61.00 63.95 1zit s PRO 28 Cb 0.14 -2.98 0.00 0.00 0.02 0.00 0.00 34.50 31.68 1zit s PRO 28 CO -0.12 -0.57 0.70 -3.47 -0.33 0.00 0.00 177.00 173.22 1zit n ASP 29 N 0.92 1.38 0.00 2.53 2.03 -0.63 -4.93 116.55 117.86 1zit n ASP 29 Ca 0.03 -1.43 0.00 0.00 0.52 0.00 0.00 54.79 53.90 1zit n ASP 29 Cb 0.39 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.79 1zit n ASP 29 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1zit n THR 30 N -0.22 0.00 -2.58 5.18 -2.24 -1.26 -4.73 114.28 108.43 1zit n THR 30 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1zit n THR 30 Cb 0.13 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1zit n THR 30 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1zit n ALA 31 N 0.05 0.00 -0.00 6.98 0.00 0.59 -4.83 120.51 123.30 1zit n ALA 31 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1zit n ALA 31 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1zit n ALA 31 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1zit n LYS 32 N -0.24 3.15 -1.21 0.00 5.02 -1.25 -3.22 118.16 120.42 1zit n LYS 32 Ca 0.00 -0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1zit n LYS 32 Cb 0.00 -1.03 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 1zit n LYS 32 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1zit n THR 33 N -1.96 0.00 -0.07 -0.18 -1.04 -1.26 -2.70 114.28 107.08 1zit n THR 33 Ca -0.02 -0.01 -0.12 0.00 -2.04 0.00 0.00 64.05 61.86 1zit n THR 33 Cb 0.45 0.01 -0.06 0.00 -1.82 0.00 0.00 70.33 68.91 1zit n THR 33 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1zit h LEU 34 N 0.00 0.43 -0.19 -4.42 3.38 -1.96 0.15 115.31 112.69 1zit h LEU 34 Ca -0.00 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 57.57 1zit h LEU 34 Cb 0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1zit h LEU 34 CO 0.00 0.75 0.08 0.03 0.09 0.00 0.00 178.44 179.39 1zit h ARG 35 N 0.11 0.18 -0.01 1.13 2.47 -1.99 0.35 114.38 116.62 1zit h ARG 35 Ca 0.04 -0.01 -0.08 0.00 -1.26 0.00 0.00 59.98 58.67 1zit h ARG 35 Cb 0.59 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.85 1zit h ARG 35 CO 0.03 0.12 -0.38 0.93 0.56 0.00 0.00 179.97 181.23 1zit h GLU 36 N 0.19 0.02 0.00 0.04 4.39 -1.95 -2.36 114.58 114.91 1zit h GLU 36 Ca 0.08 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.68 1zit h GLU 36 Cb 0.03 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1zit h GLU 36 CO -0.07 0.40 -0.43 0.00 -1.16 0.00 0.00 179.01 177.75 1zit h ALA 37 N 1.60 0.82 -0.01 3.43 0.00 0.15 -2.47 119.26 122.78 1zit h ALA 37 Ca -0.00 -0.39 -0.23 0.00 0.00 0.00 0.00 54.91 54.29 1zit h ALA 37 Cb 0.68 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1zit h ALA 37 CO 0.05 0.54 -0.92 0.93 0.00 0.00 0.00 179.25 179.85 1zit h GLU 38 N 0.00 0.45 -0.30 0.00 5.08 0.16 -0.42 114.58 119.55 1zit h GLU 38 Ca -0.00 -0.47 -0.14 0.00 -1.00 0.00 0.00 59.36 57.74 1zit h GLU 38 Cb 1.15 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1zit h GLU 38 CO 0.06 1.12 -0.39 -0.22 -1.00 0.00 0.00 179.01 178.58 1zit h LYS 39 N 0.26 0.70 -0.19 2.33 3.11 -1.41 0.87 116.57 122.24 1zit h LYS 39 Ca -0.08 -0.36 -0.18 0.00 -2.81 0.00 0.00 60.65 57.22 1zit h LYS 39 Cb 1.56 0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 32.79 1zit h LYS 39 CO 0.16 0.97 -0.60 0.87 -2.81 0.00 0.00 179.45 178.04 1zit h LYS 40 N 0.58 0.65 0.00 1.90 1.79 -1.41 -3.10 116.57 116.98 1zit h LYS 40 Ca 0.05 -0.44 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 1zit h LYS 40 Cb 0.93 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 1zit h LYS 40 CO 0.08 1.06 -0.49 0.82 -1.08 0.00 0.00 179.45 179.85 1zit h ILE 41 N 0.49 0.00 -0.16 1.86 2.04 -0.93 -2.86 117.51 117.94 1zit h ILE 41 Ca -0.00 -0.69 0.05 0.00 1.00 0.00 0.00 64.86 65.22 1zit h ILE 41 Cb 1.18 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 1zit h ILE 41 CO 0.12 0.00 0.41 0.11 0.00 0.00 0.00 178.15 178.79 1zit h LYS 42 N 0.00 0.00 0.00 2.37 1.57 0.85 -3.32 116.57 118.05 1zit h LYS 42 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1zit h LYS 42 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1zit h LYS 42 CO 0.00 0.00 -0.28 0.39 -0.57 0.00 0.00 179.45 178.99 1zit n GLU 43 N -3.18 0.00 -1.65 3.15 1.02 -1.25 -5.05 120.64 113.67 1zit n GLU 43 Ca 0.02 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.72 1zit n GLU 43 Cb 0.50 -0.17 -0.04 0.00 -0.02 0.00 0.00 31.44 31.72 1zit n GLU 43 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1zit n LEU 44 N -2.81 3.85 -3.87 -4.62 -0.00 -1.08 -4.84 117.00 103.63 1zit n LEU 44 Ca 0.00 0.83 -0.41 0.00 -0.00 0.00 0.00 56.01 56.43 1zit n LEU 44 Cb 0.14 -1.48 -0.04 0.00 -0.00 0.00 0.00 43.42 42.04 1zit n LEU 44 CO 0.00 0.02 2.18 0.33 -0.00 0.00 0.00 177.39 179.93 1zit n PHE 45 N 7.83 2.71 -1.93 1.96 -0.00 -1.26 -4.54 117.46 122.23 1zit n PHE 45 Ca 0.22 -2.19 -0.43 0.00 -0.00 0.00 0.00 57.45 55.06 1zit n PHE 45 Cb 0.38 -2.15 -0.03 0.00 -0.00 0.00 0.00 39.48 37.68 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 5.23 1.71 -0.11 -5.13 0.08 -1.26 -4.86 117.98 113.65 1zit s PHE 46 Ca 0.56 0.54 0.28 0.00 0.12 0.00 0.00 56.93 58.43 1zit s PHE 46 Cb 0.11 -4.07 0.88 0.00 -0.57 0.00 0.00 43.02 39.37 1zit s PHE 46 CO 0.06 -3.29 1.80 -1.00 -0.10 0.00 0.00 175.22 172.69 1zit h PRO 47 N 12.82 0.00 -3.22 0.24 0.13 -1.85 -3.42 132.00 136.70 1zit h PRO 47 Ca -0.36 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.54 1zit h PRO 47 Cb 1.18 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.00 1zit h PRO 47 CO 1.01 0.05 -0.58 0.08 -0.23 0.00 0.00 178.00 178.33 1zit s VAL 48 N -3.47 -0.05 0.23 1.56 1.01 -1.25 0.12 120.40 118.56 1zit s VAL 48 Ca 0.03 0.17 0.11 0.00 0.00 0.00 0.00 61.98 62.29 1zit s VAL 48 Cb 0.08 -0.26 -0.05 0.00 0.00 0.00 0.00 36.38 36.15 1zit s VAL 48 CO 0.61 0.07 -0.16 -0.63 0.00 0.00 0.00 175.10 174.99 1zit s ILE 49 N 1.18 2.75 -0.27 2.22 -1.09 0.22 0.11 121.20 126.31 1zit s ILE 49 Ca -0.09 -2.05 -0.00 0.00 -2.23 0.00 0.00 60.65 56.27 1zit s ILE 49 Cb -0.11 -2.39 0.14 0.00 -1.58 0.00 0.00 42.46 38.51 1zit s ILE 49 CO -0.06 -0.25 0.34 -0.69 -1.23 0.00 0.00 174.94 173.05 1zit s VAL 50 N -2.05 -0.50 -1.11 2.92 1.01 0.31 -2.53 120.40 118.46 1zit s VAL 50 Ca 0.26 -0.33 -0.18 0.00 0.00 0.00 0.00 61.98 61.74 1zit s VAL 50 Cb -0.07 -0.93 0.12 0.00 0.00 0.00 0.00 36.38 35.50 1zit s VAL 50 CO 0.14 -0.33 1.40 -0.22 0.00 0.00 0.00 175.10 176.10 1zit s LEU 51 N 2.44 4.56 -0.99 3.92 2.96 -1.26 0.57 118.68 130.88 1zit s LEU 51 Ca 0.10 -2.35 -0.24 0.00 -0.22 0.00 0.00 54.13 51.42 1zit s LEU 51 Cb -0.14 -2.46 -0.16 0.00 0.50 0.00 0.00 46.19 43.92 1zit s LEU 51 CO -0.27 -1.05 1.95 -0.67 -1.32 0.00 0.00 176.35 174.98 1zit n ASP 52 N 6.99 2.36 -4.56 3.68 -0.08 0.28 -3.74 116.55 121.49 1zit n ASP 52 Ca 0.35 -2.62 -0.13 0.00 -1.51 0.00 0.00 54.79 50.87 1zit n ASP 52 Cb 0.47 -1.53 -0.11 0.00 2.34 0.00 0.00 41.12 42.29 1zit n ASP 52 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1zit n VAL 53 N 7.80 0.00 0.00 5.18 3.14 -1.24 -4.15 118.33 129.05 1zit n VAL 53 Ca 0.45 -0.13 0.00 0.00 -2.96 0.00 0.00 64.34 61.69 1zit n VAL 53 Cb 0.45 -1.93 0.00 0.00 -1.06 0.00 0.00 33.84 31.30 1zit n VAL 53 CO 0.00 0.00 0.00 1.87 -6.46 0.00 0.00 176.83 172.24 1zit n TRP 54 N 19.31 0.00 -2.71 1.45 -0.00 -1.26 -3.88 117.44 130.35 1zit n TRP 54 Ca 0.42 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.87 1zit n TRP 54 Cb 0.46 0.00 0.08 0.00 -0.00 0.00 0.00 31.31 31.85 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 -0.36 1.34 -0.14 5.87 0.00 -1.26 -4.90 117.12 117.67 1zit n MET 55 Ca 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 57.70 55.28 1zit n MET 55 Cb 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 33.22 32.63 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 -0.69 0.82 -2.69 2.12 -0.04 -1.26 -5.07 135.00 128.18 1zit n PRO 56 Ca -0.01 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.38 1zit n PRO 56 Cb 0.84 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.40 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 -1.66 -0.94 -0.00 3.54 8.00 -1.26 -4.93 116.55 119.30 1zit n ASP 57 Ca 0.00 -2.47 0.02 0.00 0.71 0.00 0.00 54.79 53.05 1zit n ASP 57 Cb 0.00 0.56 -0.02 0.00 -0.02 0.00 0.00 41.12 41.64 1zit n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1zit n GLY 58 N -0.59 0.13 2.33 0.44 0.00 -1.26 -5.10 105.19 101.13 1zit n GLY 58 Ca -0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 46.02 45.89 1zit n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1zit n ASP 59 N -1.43 -4.53 -1.56 1.61 8.00 -1.26 -4.89 116.55 112.50 1zit n ASP 59 Ca -0.00 1.42 0.06 0.00 0.71 0.00 0.00 54.79 56.98 1zit n ASP 59 Cb 0.07 -4.75 0.32 0.00 -0.02 0.00 0.00 41.12 36.74 1zit n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1zit n GLY 60 N 1.56 2.58 0.46 0.44 0.00 -1.26 -4.51 105.19 104.45 1zit n GLY 60 Ca -0.19 -0.73 -0.19 0.00 0.00 0.00 0.00 46.02 44.90 1zit n GLY 60 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1zit h VAL 61 N 3.27 0.16 0.00 1.61 2.07 -1.90 -2.43 116.25 119.03 1zit h VAL 61 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1zit h VAL 61 Cb 1.58 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1zit h VAL 61 CO 0.34 0.00 0.00 -0.46 0.02 0.00 0.00 177.57 177.47 1zit n ASN 62 N -5.57 0.00 -0.14 0.57 6.94 -1.26 -3.43 115.26 112.37 1zit n ASN 62 Ca -0.14 -0.18 -0.13 0.00 -0.02 0.00 0.00 54.58 54.11 1zit n ASN 62 Cb 0.45 -0.24 -0.01 0.00 -2.36 0.00 0.00 39.78 37.62 1zit n ASN 62 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 1zit h PHE 63 N 0.00 1.14 -1.21 -2.53 3.57 -1.69 -3.07 116.94 113.15 1zit h PHE 63 Ca 0.00 -0.32 0.35 0.00 3.53 0.00 0.00 57.97 61.53 1zit h PHE 63 Cb 0.19 -0.25 -0.08 0.00 2.79 0.00 0.00 35.95 38.60 1zit h PHE 63 CO 0.00 1.15 0.82 0.82 -2.23 0.00 0.00 178.31 178.87 1zit h ILE 64 N 0.81 0.37 -0.18 1.41 5.03 -1.58 0.85 117.51 124.23 1zit h ILE 64 Ca 0.08 -0.05 -0.13 0.00 -0.12 0.00 0.00 64.86 64.63 1zit h ILE 64 Cb 0.91 0.20 -0.01 0.00 -3.03 0.00 0.00 36.82 34.89 1zit h ILE 64 CO 0.08 0.03 -0.46 0.44 -0.68 0.00 0.00 178.15 177.56 1zit h ASP 65 N 0.16 0.48 -0.81 1.72 5.19 -1.79 -2.58 116.42 118.79 1zit h ASP 65 Ca 0.64 -0.23 -0.04 0.00 -0.62 0.00 0.00 57.03 56.78 1zit h ASP 65 Cb 2.14 -0.14 -0.04 0.00 0.18 0.00 0.00 39.33 41.48 1zit h ASP 65 CO -0.18 0.87 0.34 0.15 -3.12 0.00 0.00 179.24 177.29 1zit h PHE 66 N 0.36 1.22 -0.24 4.55 3.57 0.62 1.16 116.94 128.18 1zit h PHE 66 Ca 0.02 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1zit h PHE 66 Cb 0.95 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 1zit h PHE 66 CO 0.03 0.91 0.11 0.82 -2.23 0.00 0.00 178.31 177.95 1zit h ILE 67 N 1.17 1.15 0.00 1.41 5.03 -1.27 -1.68 117.51 123.33 1zit h ILE 67 Ca 0.27 -0.46 0.00 0.00 -0.12 0.00 0.00 64.86 64.56 1zit h ILE 67 Cb 0.20 1.01 0.00 0.00 -3.03 0.00 0.00 36.82 35.00 1zit h ILE 67 CO -0.02 0.15 0.00 0.07 -0.68 0.00 0.00 178.15 177.67 1zit h LYS 68 N 0.25 0.00 -0.30 2.37 5.09 -1.11 0.75 116.57 123.62 1zit h LYS 68 Ca 0.08 0.00 -0.11 0.00 0.09 0.00 0.00 60.65 60.71 1zit h LYS 68 Cb 0.15 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.47 1zit h LYS 68 CO -0.01 0.00 -0.25 1.49 -2.09 0.00 0.00 179.45 178.59 1zit h GLU 69 N 0.00 0.70 0.00 0.07 4.81 0.21 -3.20 114.58 117.17 1zit h GLU 69 Ca 0.00 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1zit h GLU 69 Cb 0.73 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.11 1zit h GLU 69 CO 0.00 0.96 -0.02 0.27 -0.73 0.00 0.00 179.01 179.50 1zit n ASN 70 N -4.29 2.21 -2.72 1.04 0.23 -0.70 -4.81 115.26 106.22 1zit n ASN 70 Ca -0.04 -2.87 -0.07 0.00 -0.53 0.00 0.00 54.58 51.07 1zit n ASN 70 Cb 0.45 -0.35 0.07 0.00 -2.08 0.00 0.00 39.78 37.87 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 -1.24 -2.24 0.28 0.53 7.64 0.26 -4.93 113.62 113.92 1zit n SER 71 Ca 0.13 -2.86 0.17 0.00 1.01 0.00 0.00 58.87 57.32 1zit n SER 71 Cb 0.58 1.51 0.70 0.00 -1.01 0.00 0.00 64.21 65.99 1zit n SER 71 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1zit h PRO 72 N 3.42 0.00 -0.98 1.43 0.11 -1.67 -2.80 132.00 131.50 1zit h PRO 72 Ca -0.18 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.38 1zit h PRO 72 Cb 1.11 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 31.92 1zit h PRO 72 CO 0.13 0.01 0.69 -3.47 -0.21 0.00 0.00 178.00 175.16 1zit n ASP 73 N -3.12 4.79 0.00 -2.05 2.03 -1.26 -4.93 116.55 112.01 1zit n ASP 73 Ca 0.00 -3.66 0.00 0.00 0.52 0.00 0.00 54.79 51.65 1zit n ASP 73 Cb 0.30 -0.87 0.00 0.00 -0.72 0.00 0.00 41.12 39.83 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 -1.09 0.96 -3.68 1.67 2.88 -1.06 -4.73 113.62 108.57 1zit n SER 74 Ca 0.60 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 58.02 1zit n SER 74 Cb 1.39 0.00 -0.09 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 1.62 -0.00 -0.36 2.46 1.01 0.32 -4.86 120.40 120.59 1zit s VAL 75 Ca 0.00 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.01 1zit s VAL 75 Cb 0.00 -0.77 0.10 0.00 0.00 0.00 0.00 36.38 35.71 1zit s VAL 75 CO 0.00 0.00 0.09 -0.69 0.00 0.00 0.00 175.10 174.51 1zit s VAL 76 N 0.54 2.59 -0.13 2.92 1.01 -1.26 0.72 120.40 126.80 1zit s VAL 76 Ca -0.02 -2.23 -0.14 0.00 0.00 0.00 0.00 61.98 59.59 1zit s VAL 76 Cb -0.04 -2.85 -0.12 0.00 0.00 0.00 0.00 36.38 33.36 1zit s VAL 76 CO -0.03 -0.61 0.32 0.40 0.00 0.00 0.00 175.10 175.19 1zit h ILE 77 N 6.54 0.81 -4.69 2.22 1.08 -1.80 0.96 117.51 122.63 1zit h ILE 77 Ca -0.07 -1.65 0.00 0.00 -0.39 0.00 0.00 64.86 62.75 1zit h ILE 77 Cb 1.03 1.57 -0.01 0.00 -3.07 0.00 0.00 36.82 36.34 1zit h ILE 77 CO 0.57 0.28 -0.92 0.52 -0.69 0.00 0.00 178.15 177.91 1zit n VAL 78 N -4.67-12.07 -2.71 1.67 0.31 -1.26 -4.06 118.33 95.55 1zit n VAL 78 Ca -0.07 2.84 0.00 0.00 -0.01 0.00 0.00 64.34 67.10 1zit n VAL 78 Cb 0.27 -5.66 0.00 0.00 -0.91 0.00 0.00 33.84 27.54 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 1.87 0.00 -1.36 2.52 5.41 -1.24 -2.98 119.36 123.59 1zit n ILE 79 Ca -0.03 0.00 0.16 0.00 1.00 0.00 0.00 62.75 63.89 1zit n ILE 79 Cb 0.04 -0.28 -0.07 0.00 -0.71 0.00 0.00 39.64 38.61 1zit n ILE 79 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1zit n THR 80 N 0.00 -0.43 0.00 1.39 -2.24 -1.26 -3.71 114.28 108.03 1zit n THR 80 Ca 0.00 0.65 0.00 0.00 -2.27 0.00 0.00 64.05 62.43 1zit n THR 80 Cb 0.00 -1.08 0.00 0.00 -2.10 0.00 0.00 70.33 67.15 1zit n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1zit n GLY 81 N -4.14 0.89 3.76 3.38 0.00 -1.25 -4.74 105.19 103.09 1zit n GLY 81 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 1zit n GLY 81 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1zit n HIS 82 N 0.00 2.89 -0.41 1.61 1.44 -1.26 -4.62 115.22 114.86 1zit n HIS 82 Ca 0.00 0.45 0.00 0.00 -2.01 0.00 0.00 57.72 56.16 1zit n HIS 82 Cb 0.00 -2.52 0.00 0.00 0.12 0.00 0.00 29.99 27.59 1zit n HIS 82 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1zit n GLY 83 N 0.64 -0.67 1.41 -1.39 0.00 -1.26 -5.05 105.19 98.87 1zit n GLY 83 Ca 0.02 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 -7.66 -2.13 1.61 7.64 -1.26 -4.74 113.62 107.09 1zit n SER 84 Ca 0.00 1.46 -0.28 0.00 1.01 0.00 0.00 58.87 61.06 1zit n SER 84 Cb 0.00 -4.35 0.09 0.00 -1.01 0.00 0.00 64.21 58.94 1zit n SER 84 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1zit n VAL 85 N -1.88 3.22 0.12 0.44 3.14 -1.26 -4.51 118.33 117.60 1zit n VAL 85 Ca 0.00 -3.09 0.07 0.00 -2.96 0.00 0.00 64.34 58.36 1zit n VAL 85 Cb 0.26 -0.99 0.03 0.00 -1.06 0.00 0.00 33.84 32.09 1zit n VAL 85 CO 0.00 0.00 0.00 -2.24 -6.46 0.00 0.00 176.83 168.13 1zit h ASP 86 N 1.82 0.00 0.51 6.55 3.04 -1.94 -3.27 116.42 123.13 1zit h ASP 86 Ca 0.52 0.00 -0.29 0.00 -3.24 0.00 0.00 57.03 54.02 1zit h ASP 86 Cb 1.31 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 39.62 1zit h ASP 86 CO 1.22 0.23 -1.29 0.00 -2.04 0.00 0.00 179.24 177.36 1zit h THR 87 N 0.00 1.44 0.44 1.15 1.03 -1.91 -3.07 112.91 111.99 1zit h THR 87 Ca -0.04 -2.93 -0.01 0.00 -0.01 0.00 0.00 66.41 63.42 1zit h THR 87 Cb 1.20 2.95 -0.02 0.00 -1.07 0.00 0.00 68.15 71.21 1zit h THR 87 CO 0.02 0.86 -0.41 0.00 -0.01 0.00 0.00 175.52 175.99 1zit h ALA 88 N 0.47 -0.91 -0.17 0.00 0.00 -1.88 -1.14 119.26 115.63 1zit h ALA 88 Ca -0.16 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.64 1zit h ALA 88 Cb 2.01 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 20.36 1zit h ALA 88 CO 0.22 -1.05 0.18 -0.39 0.00 0.00 0.00 179.25 178.21 1zit h VAL 89 N -0.85 0.53 -0.42 0.00 -1.51 -1.67 -0.16 116.25 112.16 1zit h VAL 89 Ca -0.04 0.00 -0.28 0.00 -1.23 0.00 0.00 66.70 65.15 1zit h VAL 89 Cb 0.75 0.86 -0.12 0.00 -2.13 0.00 0.00 31.29 30.65 1zit h VAL 89 CO -0.04 0.00 0.34 1.17 -1.23 0.00 0.00 177.57 177.81 1zit n LYS 90 N -3.90 1.70 0.00 5.19 4.81 -0.43 -3.42 118.16 122.11 1zit n LYS 90 Ca 0.01 -1.34 0.00 0.00 -0.87 0.00 0.00 58.31 56.11 1zit n LYS 90 Cb 0.30 -1.54 0.00 0.00 0.02 0.00 0.00 35.03 33.81 1zit n LYS 90 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1zit n ALA 91 N 0.58 0.00 0.12 3.14 0.00 -0.63 -4.50 120.51 119.22 1zit n ALA 91 Ca 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.69 1zit n ALA 91 Cb 0.57 0.00 0.10 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 0.00 1.40 0.00 0.00 3.07 -1.19 -3.06 117.51 117.73 1zit h ILE 92 Ca 0.00 -2.41 0.00 0.00 1.55 0.00 0.00 64.86 64.00 1zit h ILE 92 Cb 0.00 2.33 0.00 0.00 -0.27 0.00 0.00 36.82 38.88 1zit h ILE 92 CO 0.00 0.67 -0.01 0.50 -1.05 0.00 0.00 178.15 178.26 1zit h LYS 93 N 0.00 0.00 0.00 0.16 3.64 -1.78 -2.86 116.57 115.72 1zit h LYS 93 Ca -0.01 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1zit h LYS 93 Cb 1.28 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 1zit h LYS 93 CO 0.09 0.00 -0.24 0.87 -2.27 0.00 0.00 179.45 177.90 1zit h LYS 94 N 0.00 0.00 0.00 1.90 1.79 -1.79 -3.45 116.57 115.01 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 0.96 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.61 1zit h LYS 94 CO 0.00 0.24 0.00 0.41 -1.08 0.00 0.00 179.45 179.02 1zit n GLY 95 N 0.59 0.00 0.00 3.86 0.00 -1.20 -4.85 105.19 103.58 1zit n GLY 95 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.26 4.61 0.00 -1.08 -4.69 120.51 118.09 1zit n ALA 96 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1zit n ALA 96 Cb 0.00 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.66 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 -0.76 0.77 -0.00 0.00 9.36 0.33 -4.84 117.16 122.01 1zit n TYR 97 Ca 0.00 -1.27 0.00 0.00 3.32 0.00 0.00 57.90 59.95 1zit n TYR 97 Cb 0.00 -0.36 0.00 0.00 -0.63 0.00 0.00 39.34 38.35 1zit n TYR 97 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 1zit n GLU 98 N -0.98 -0.01 -1.69 2.98 0.28 -1.26 -4.90 120.64 115.05 1zit n GLU 98 Ca 0.25 0.01 -0.44 0.00 -0.16 0.00 0.00 57.16 56.82 1zit n GLU 98 Cb 0.90 -0.01 -0.04 0.00 1.43 0.00 0.00 31.44 33.72 1zit n GLU 98 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1zit n PHE 99 N -0.96 2.47 -2.57 -1.84 3.01 -1.26 -4.74 117.46 111.57 1zit n PHE 99 Ca 0.00 0.18 -0.43 0.00 1.01 0.00 0.00 57.45 58.21 1zit n PHE 99 Cb 0.00 -2.60 -0.02 0.00 -0.01 0.00 0.00 39.48 36.85 1zit n PHE 99 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1zit s LEU 100 N 0.99 4.14 0.00 4.37 1.98 -1.16 -5.03 118.68 123.97 1zit s LEU 100 Ca 0.77 1.50 0.00 0.00 -2.89 0.00 0.00 54.13 53.51 1zit s LEU 100 Cb -0.61 -3.54 0.00 0.00 0.66 0.00 0.00 46.19 42.70 1zit s LEU 100 CO 0.36 -0.69 0.00 -0.62 -1.89 0.00 0.00 176.35 173.51 1zit n GLU 101 N 6.35 -1.37 -2.78 1.98 1.02 -1.26 -4.58 120.64 120.00 1zit n GLU 101 Ca 0.13 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.17 1zit n GLU 101 Cb 0.46 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.94 1zit n GLU 101 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1zit n LYS 102 N -1.64 1.11 0.00 3.49 4.76 -1.26 -4.94 118.16 119.68 1zit n LYS 102 Ca 0.00 -2.54 0.11 0.00 -2.87 0.00 0.00 58.31 53.01 1zit n LYS 102 Cb 0.00 -0.88 0.62 0.00 -1.84 0.00 0.00 35.03 32.93 1zit n LYS 102 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1zit n PRO 103 N -0.10 0.54 0.00 1.97 -0.04 -1.26 -4.56 135.00 131.55 1zit n PRO 103 Ca 0.07 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1zit n PRO 103 Cb 0.78 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 1zit n PRO 103 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1zit n PHE 104 N -1.12 -0.27 0.00 0.54 7.35 -1.26 -5.10 117.46 117.61 1zit n PHE 104 Ca 0.14 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.83 1zit n PHE 104 Cb 0.12 0.21 0.00 0.00 0.35 0.00 0.00 39.48 40.16 1zit n PHE 104 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1zit n SER 105 N -1.64 0.00 0.00 -2.13 2.88 -1.26 -5.02 113.62 106.45 1zit n SER 105 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1zit n SER 105 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.00 0.00 -0.32 2.46 3.14 -1.26 -4.90 118.33 117.45 1zit n VAL 106 Ca 0.00 0.00 0.20 0.00 -2.96 0.00 0.00 64.34 61.58 1zit n VAL 106 Cb 0.00 -0.05 0.38 0.00 -1.06 0.00 0.00 33.84 33.11 1zit n VAL 106 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1zit n GLU 107 N -1.95 -0.07 -0.20 1.45 2.13 -1.26 0.16 120.64 120.91 1zit n GLU 107 Ca 0.00 1.38 -0.08 0.00 0.66 0.00 0.00 57.16 59.12 1zit n GLU 107 Cb 0.00 -2.29 0.02 0.00 0.27 0.00 0.00 31.44 29.44 1zit n GLU 107 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1zit h ARG 108 N 0.00 0.89 -0.04 5.31 9.65 -1.98 -2.21 114.38 126.00 1zit h ARG 108 Ca 0.66 -0.21 0.01 0.00 -1.10 0.00 0.00 59.98 59.34 1zit h ARG 108 Cb 1.53 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 29.99 1zit h ARG 108 CO -0.83 0.82 0.03 0.35 2.80 0.00 0.00 179.97 183.14 1zit h PHE 109 N 0.79 0.00 -0.18 2.20 3.57 0.12 -2.43 116.94 121.01 1zit h PHE 109 Ca 0.18 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1zit h PHE 109 Cb 0.33 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 1zit h PHE 109 CO 0.02 0.00 0.12 1.25 -2.23 0.00 0.00 178.31 177.47 1zit h LEU 110 N 0.00 0.21 -0.34 0.59 6.46 -0.61 -1.95 115.31 119.67 1zit h LEU 110 Ca 0.02 -0.02 0.07 0.00 -0.12 0.00 0.00 57.88 57.83 1zit h LEU 110 Cb 0.08 -0.05 -0.08 0.00 -0.73 0.00 0.00 40.66 39.88 1zit h LEU 110 CO -0.00 0.17 -0.17 -0.07 -0.62 0.00 0.00 178.44 177.75 1zit h LEU 111 N 0.24 -0.58 -0.82 2.25 4.07 -1.48 -1.52 115.31 117.46 1zit h LEU 111 Ca 0.07 0.13 -0.01 0.00 0.08 0.00 0.00 57.88 58.16 1zit h LEU 111 Cb -0.01 0.32 -0.04 0.00 1.08 0.00 0.00 40.66 42.00 1zit h LEU 111 CO -0.01 -0.21 0.49 0.74 -1.08 0.00 0.00 178.44 178.37 1zit h THR 112 N -0.12 1.23 -0.16 0.22 2.02 -1.60 -3.06 112.91 111.45 1zit h THR 112 Ca 0.17 -0.51 0.05 0.00 0.77 0.00 0.00 66.41 66.89 1zit h THR 112 Cb 0.38 0.08 -0.07 0.00 -1.74 0.00 0.00 68.15 66.81 1zit h THR 112 CO -0.42 0.24 -0.38 0.40 0.37 0.00 0.00 175.52 175.74 1zit h ILE 113 N 1.13 0.20 -0.13 3.11 1.08 -0.48 0.31 117.51 122.73 1zit h ILE 113 Ca 0.30 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.79 1zit h ILE 113 Cb -0.04 0.20 -0.05 0.00 -3.07 0.00 0.00 36.82 33.86 1zit h ILE 113 CO -0.06 0.00 -0.37 0.50 -0.69 0.00 0.00 178.15 177.53 1zit h LYS 114 N -0.44 -0.36 -1.00 2.37 3.11 -1.37 0.33 116.57 119.22 1zit h LYS 114 Ca 0.09 0.02 0.27 0.00 -2.81 0.00 0.00 60.65 58.23 1zit h LYS 114 Cb 0.59 0.08 -0.06 0.00 -1.00 0.00 0.00 32.23 31.84 1zit h LYS 114 CO -0.40 -0.24 0.69 1.25 -2.81 0.00 0.00 179.45 177.95 1zit h HIS 115 N -0.37 0.27 -0.82 1.91 2.76 -1.41 0.35 115.15 117.83 1zit h HIS 115 Ca 0.03 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 1zit h HIS 115 Cb 0.45 -0.08 -0.04 0.00 1.55 0.00 0.00 27.41 29.29 1zit h HIS 115 CO -0.57 0.04 0.49 0.00 -1.30 0.00 0.00 177.93 176.59 1zit h ALA 116 N 1.55 1.05 0.01 5.26 0.00 0.35 -2.17 119.26 125.31 1zit h ALA 116 Ca 0.51 -0.10 -0.22 0.00 0.00 0.00 0.00 54.91 55.11 1zit h ALA 116 Cb 1.69 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1zit h ALA 116 CO -0.11 0.52 -0.93 0.74 0.00 0.00 0.00 179.25 179.46 1zit h PHE 117 N 1.13 0.51 0.00 0.00 -1.00 0.65 -2.87 116.94 115.36 1zit h PHE 117 Ca 0.30 -0.28 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1zit h PHE 117 Cb -0.04 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 39.47 1zit h PHE 117 CO -0.00 1.10 0.00 0.39 -1.61 0.00 0.00 178.31 178.19 1zit n GLU 118 N -3.71 0.00 0.29 1.51 4.71 -0.33 0.48 120.64 123.60 1zit n GLU 118 Ca -0.06 0.11 0.18 0.00 -0.01 0.00 0.00 57.16 57.38 1zit n GLU 118 Cb 0.83 -1.07 0.89 0.00 -1.01 0.00 0.00 31.44 31.09 1zit n GLU 118 CO 0.00 0.00 0.00 1.05 0.09 0.00 0.00 177.13 178.27 1zit h GLU 119 N 0.00 0.00 -1.75 3.49 4.11 -1.59 -2.19 114.58 116.65 1zit h GLU 119 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.90 1zit h GLU 119 Cb 0.00 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 28.84 1zit h GLU 119 CO 0.00 0.00 -0.87 0.66 0.07 0.00 0.00 179.01 178.87 1zit n TYR 120 N -3.15 2.62 1.98 2.06 4.01 -1.08 -5.11 117.16 118.49 1zit n TYR 120 Ca -0.01 -3.46 0.16 0.00 -0.16 0.00 0.00 57.90 54.43 1zit n TYR 120 Cb 0.34 -0.33 0.93 0.00 -0.31 0.00 0.00 39.34 39.98 1zit n TYR 120 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83