#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 -1.73 -5.02 2.12 4.76 -1.26 -4.50 118.16 112.53 1zit n LYS 2 Ca 0.00 1.21 -0.31 0.00 -2.87 0.00 0.00 58.31 56.34 1zit n LYS 2 Cb 0.00 -5.79 -0.14 0.00 -1.84 0.00 0.00 35.03 27.26 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 -3.62 2.17 0.20 1.97 3.03 -1.26 -1.63 118.95 119.82 1zit s ARG 3 Ca 0.21 -0.90 0.08 0.00 2.03 0.00 0.00 55.73 57.15 1zit s ARG 3 Cb -0.03 -2.16 -0.05 0.00 -1.03 0.00 0.00 34.95 31.69 1zit s ARG 3 CO 0.74 0.57 -0.14 0.08 -1.13 0.00 0.00 175.30 175.42 1zit s VAL 4 N -0.73 1.73 -0.14 4.99 1.01 -1.17 -4.08 120.40 122.01 1zit s VAL 4 Ca 0.11 -2.20 -0.01 0.00 0.00 0.00 0.00 61.98 59.88 1zit s VAL 4 Cb -0.10 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 1zit s VAL 4 CO 0.01 -0.59 -0.11 -0.22 0.00 0.00 0.00 175.10 174.19 1zit s LEU 5 N -3.29 2.82 -0.59 3.92 2.96 0.20 -0.59 118.68 124.11 1zit s LEU 5 Ca 0.22 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.83 1zit s LEU 5 Cb -0.01 -1.65 0.15 0.00 0.50 0.00 0.00 46.19 45.18 1zit s LEU 5 CO 0.07 0.15 0.37 -0.69 -1.32 0.00 0.00 176.35 174.93 1zit s VAL 6 N 0.43 3.25 -0.63 1.68 1.01 -1.26 0.61 120.40 125.49 1zit s VAL 6 Ca -0.09 -3.15 -0.26 0.00 0.00 0.00 0.00 61.98 58.49 1zit s VAL 6 Cb -0.15 -3.17 0.04 0.00 0.00 0.00 0.00 36.38 33.10 1zit s VAL 6 CO 0.04 -0.85 1.09 -0.69 0.00 0.00 0.00 175.10 174.70 1zit s VAL 7 N -0.21 4.12 -0.00 2.92 1.01 0.13 0.17 120.40 128.54 1zit s VAL 7 Ca 0.17 0.34 0.01 0.00 0.00 0.00 0.00 61.98 62.50 1zit s VAL 7 Cb -0.22 -4.71 -0.00 0.00 0.00 0.00 0.00 36.38 31.44 1zit s VAL 7 CO -0.02 -1.43 -0.04 -0.62 0.00 0.00 0.00 175.10 172.99 1zit s ASP 8 N 3.26 0.48 -0.17 3.32 -1.08 -1.19 0.90 116.67 122.20 1zit s ASP 8 Ca 0.33 -0.08 0.03 0.00 -0.52 0.00 0.00 52.55 52.30 1zit s ASP 8 Cb -0.11 -0.05 0.30 0.00 -1.46 0.00 0.00 42.92 41.60 1zit s ASP 8 CO 0.18 0.04 1.30 -0.67 0.52 0.00 0.00 175.17 176.54 1zit n ASP 9 N 2.95 3.24 -2.06 -0.34 2.03 -0.79 -3.80 116.55 117.79 1zit n ASP 9 Ca -0.13 -2.61 -0.06 0.00 0.52 0.00 0.00 54.79 52.51 1zit n ASP 9 Cb 0.59 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 40.36 1zit n ASP 9 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1zit n GLU 10 N -0.08 0.56 -2.36 -0.67 2.13 -1.26 -4.77 120.64 114.20 1zit n GLU 10 Ca 0.22 -1.38 -0.24 0.00 0.66 0.00 0.00 57.16 56.41 1zit n GLU 10 Cb 0.91 1.57 0.01 0.00 0.27 0.00 0.00 31.44 34.19 1zit n GLU 10 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1zit n GLU 11 N -0.31 3.32 -0.11 5.31 0.28 -1.26 -4.73 120.64 123.14 1zit n GLU 11 Ca -0.03 -4.31 -0.22 0.00 -0.16 0.00 0.00 57.16 52.44 1zit n GLU 11 Cb 0.34 -2.19 -0.07 0.00 1.43 0.00 0.00 31.44 30.94 1zit n GLU 11 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1zit n SER 12 N -0.53 1.67 -0.01 -1.84 2.88 -1.26 -4.32 113.62 110.21 1zit n SER 12 Ca 0.38 0.29 -0.16 0.00 -1.33 0.00 0.00 58.87 58.05 1zit n SER 12 Cb 0.77 -0.69 -0.11 0.00 -0.75 0.00 0.00 64.21 63.43 1zit n SER 12 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1zit h ILE 13 N -0.84 1.49 -0.05 2.46 1.08 -2.00 -3.19 117.51 116.46 1zit h ILE 13 Ca -0.49 -1.99 0.01 0.00 -0.39 0.00 0.00 64.86 62.00 1zit h ILE 13 Cb 1.40 2.67 -0.00 0.00 -3.07 0.00 0.00 36.82 37.82 1zit h ILE 13 CO -0.30 0.56 0.16 0.71 -0.69 0.00 0.00 178.15 178.59 1zit h THR 14 N -0.31 0.15 -0.20 -0.27 1.35 -1.85 0.95 112.91 112.74 1zit h THR 14 Ca -0.05 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 65.69 1zit h THR 14 Cb 1.14 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1zit h THR 14 CO 0.08 0.00 -0.35 -1.28 -0.25 0.00 0.00 175.52 173.72 1zit h SER 15 N 0.00 0.65 0.00 5.36 0.87 -1.74 -3.21 113.55 115.48 1zit h SER 15 Ca 0.02 -0.54 -0.09 0.00 -1.23 0.00 0.00 61.79 59.95 1zit h SER 15 Cb 0.33 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1zit h SER 15 CO -0.00 1.07 -1.21 -1.54 -0.53 0.00 0.00 176.83 174.62 1zit n SER 16 N -4.29 1.82 -0.16 6.23 3.41 -0.50 -4.17 113.62 115.96 1zit n SER 16 Ca -0.06 0.31 -0.10 0.00 -0.26 0.00 0.00 58.87 58.76 1zit n SER 16 Cb 0.51 -0.70 -0.05 0.00 -0.26 0.00 0.00 64.21 63.71 1zit n SER 16 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1zit h LEU 17 N -0.88 -1.48 -0.67 1.04 7.12 0.67 0.47 115.31 121.57 1zit h LEU 17 Ca -0.14 0.23 0.11 0.00 0.13 0.00 0.00 57.88 58.22 1zit h LEU 17 Cb 1.03 0.65 -0.08 0.00 -0.53 0.00 0.00 40.66 41.73 1zit h LEU 17 CO -0.08 -0.36 0.26 -1.28 -0.13 0.00 0.00 178.44 176.85 1zit h SER 18 N -0.29 0.25 -0.81 1.25 0.87 -1.55 -0.27 113.55 113.00 1zit h SER 18 Ca 0.15 0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.76 1zit h SER 18 Cb 0.58 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.57 1zit h SER 18 CO -0.62 0.13 0.35 0.00 -0.53 0.00 0.00 176.83 176.16 1zit h ALA 19 N 1.47 1.05 0.34 6.23 0.00 -1.14 -2.23 119.26 124.99 1zit h ALA 19 Ca 0.35 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1zit h ALA 19 Cb 0.48 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1zit h ALA 19 CO -0.35 0.66 -0.22 0.82 0.00 0.00 0.00 179.25 180.16 1zit h ILE 20 N 1.17 0.00 -1.10 0.00 2.04 0.15 -1.45 117.51 118.33 1zit h ILE 20 Ca 0.27 0.00 0.30 0.00 1.00 0.00 0.00 64.86 66.44 1zit h ILE 20 Cb 0.18 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.20 1zit h ILE 20 CO -0.03 0.00 0.75 -0.07 0.00 0.00 0.00 178.15 178.80 1zit h LEU 21 N -0.53 0.20 -1.30 1.44 3.38 -1.31 1.10 115.31 118.28 1zit h LEU 21 Ca -0.05 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1zit h LEU 21 Cb 0.43 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1zit h LEU 21 CO 0.04 0.03 -0.35 -0.33 0.09 0.00 0.00 178.44 177.92 1zit h GLU 22 N 0.18 0.00 0.09 1.13 5.08 -0.86 0.11 114.58 120.30 1zit h GLU 22 Ca 0.57 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.67 1zit h GLU 22 Cb 1.88 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.13 1zit h GLU 22 CO -0.14 0.35 -1.16 1.49 -1.00 0.00 0.00 179.01 178.54 1zit h GLU 23 N 0.00 0.25 0.00 2.33 4.81 0.23 -3.17 114.58 119.03 1zit h GLU 23 Ca -0.00 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1zit h GLU 23 Cb 0.63 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.16 1zit h GLU 23 CO 0.05 1.17 0.00 0.39 -0.73 0.00 0.00 179.01 179.88 1zit n GLU 24 N -3.55 0.11 -0.60 1.92 -0.58 -0.56 -4.92 120.64 112.46 1zit n GLU 24 Ca -0.07 0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1zit n GLU 24 Cb 0.98 -1.64 0.00 0.00 -0.57 0.00 0.00 31.44 30.21 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 1.07 0.77 0.97 0.62 0.00 -0.46 -5.08 105.19 103.08 1zit n GLY 25 Ca 0.05 -0.59 -0.08 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.54 0.13 -3.22 1.61 4.02 0.25 -4.82 117.16 114.58 1zit n TYR 26 Ca 0.00 -0.73 -0.24 0.00 -0.01 0.00 0.00 57.90 56.92 1zit n TYR 26 Cb 0.20 -0.03 -0.07 0.00 -0.02 0.00 0.00 39.34 39.42 1zit n TYR 26 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 1zit n HIS 27 N -0.29 0.54 -1.76 -0.72 -0.00 -0.64 -4.71 115.22 107.63 1zit n HIS 27 Ca -0.03 -3.71 -0.42 0.00 0.46 0.00 0.00 57.72 54.02 1zit n HIS 27 Cb 0.18 -0.40 -0.03 0.00 -0.12 0.00 0.00 29.99 29.62 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 -1.64 4.13 0.00 1.57 0.02 -1.25 -3.07 135.00 134.77 1zit s PRO 28 Ca 0.37 2.57 0.12 0.00 0.02 0.00 0.00 61.00 64.09 1zit s PRO 28 Cb 0.19 -3.07 0.18 0.00 0.02 0.00 0.00 34.50 31.82 1zit s PRO 28 CO -0.09 -0.71 1.02 -0.25 -0.33 0.00 0.00 177.00 176.64 1zit n ASP 29 N 3.60 2.37 0.00 2.53 9.92 0.25 -4.93 116.55 130.29 1zit n ASP 29 Ca 0.14 -1.68 0.00 0.00 -0.53 0.00 0.00 54.79 52.72 1zit n ASP 29 Cb 0.36 -0.09 0.00 0.00 -0.64 0.00 0.00 41.12 40.75 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 0.68 0.00 -2.63 -3.53 -2.24 -1.26 -4.70 114.28 100.60 1zit n THR 30 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1zit n THR 30 Cb 0.36 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 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 0.03 0.00 -0.03 6.98 0.00 0.13 -4.82 120.51 122.80 1zit n ALA 31 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1zit n ALA 31 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.15 2.67 -1.30 0.00 5.02 -1.25 -3.18 118.16 119.98 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 -1.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 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 -2.27 0.00 -0.12 -0.18 -2.24 -1.26 -1.88 114.28 106.33 1zit n THR 33 Ca -0.09 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.59 1zit n THR 33 Cb 0.66 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.87 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 0.51 -0.04 3.22 3.38 -1.96 0.79 115.31 121.22 1zit h LEU 34 Ca 0.00 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.78 1zit h LEU 34 Cb 0.00 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1zit h LEU 34 CO 0.00 0.57 -0.06 -0.09 0.09 0.00 0.00 178.44 178.96 1zit h ARG 35 N 0.42 -0.08 0.00 1.13 2.43 -1.99 0.80 114.38 117.09 1zit h ARG 35 Ca 0.11 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.19 1zit h ARG 35 Cb 0.25 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1zit h ARG 35 CO -0.00 -0.05 -0.47 0.93 -1.51 0.00 0.00 179.97 178.86 1zit h GLU 36 N -0.08 0.00 0.00 0.20 4.39 -1.92 -2.54 114.58 114.63 1zit h GLU 36 Ca 0.04 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.63 1zit h GLU 36 Cb 0.13 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 1zit h GLU 36 CO -0.09 0.47 -0.52 0.00 -1.16 0.00 0.00 179.01 177.71 1zit h ALA 37 N 1.53 0.77 -0.06 3.43 0.00 0.14 -2.39 119.26 122.67 1zit h ALA 37 Ca -0.00 -0.48 -0.23 0.00 0.00 0.00 0.00 54.91 54.19 1zit h ALA 37 Cb 0.85 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.57 1zit h ALA 37 CO 0.06 0.66 -0.89 0.93 0.00 0.00 0.00 179.25 180.00 1zit h GLU 38 N 0.00 0.64 -0.25 0.00 5.08 0.92 -0.09 114.58 120.87 1zit h GLU 38 Ca -0.01 -0.60 -0.12 0.00 -1.00 0.00 0.00 59.36 57.63 1zit h GLU 38 Cb 1.24 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 1zit h GLU 38 CO 0.07 1.21 -0.36 -0.22 -1.00 0.00 0.00 179.01 178.71 1zit h LYS 39 N 0.40 0.55 -0.04 2.33 3.11 -1.44 0.59 116.57 122.06 1zit h LYS 39 Ca -0.08 -0.26 -0.21 0.00 -2.81 0.00 0.00 60.65 57.29 1zit h LYS 39 Cb 1.52 -0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 32.75 1zit h LYS 39 CO 0.17 0.84 -0.84 0.87 -2.81 0.00 0.00 179.45 177.68 1zit h LYS 40 N 0.47 0.43 0.00 1.90 1.79 -1.39 -3.19 116.57 116.58 1zit h LYS 40 Ca 0.05 -0.40 -0.03 0.00 -2.18 0.00 0.00 60.65 58.08 1zit h LYS 40 Cb 0.85 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.59 1zit h LYS 40 CO 0.07 1.05 -0.53 0.82 -1.08 0.00 0.00 179.45 179.78 1zit h ILE 41 N 0.27 0.18 0.00 1.86 2.04 -0.85 -0.59 117.51 120.42 1zit h ILE 41 Ca -0.06 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.52 1zit h ILE 41 Cb 1.44 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 39.44 1zit h ILE 41 CO 0.15 0.11 0.00 0.11 0.00 0.00 0.00 178.15 178.51 1zit h LYS 42 N 0.00 0.00 0.00 2.37 1.79 0.21 -3.32 116.57 117.62 1zit h LYS 42 Ca -0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1zit h LYS 42 Cb 1.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 1zit h LYS 42 CO 0.01 0.00 -0.55 0.39 -1.08 0.00 0.00 179.45 178.23 1zit n GLU 43 N -2.87 0.00 -2.76 3.15 1.02 -1.24 -5.03 120.64 112.91 1zit n GLU 43 Ca -0.02 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.70 1zit n GLU 43 Cb 0.09 -0.53 -0.03 0.00 -0.02 0.00 0.00 31.44 30.95 1zit n GLU 43 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1zit s LEU 44 N -4.80 4.11 -1.03 -4.62 1.98 -0.23 -4.98 118.68 109.11 1zit s LEU 44 Ca 0.00 1.25 -0.21 0.00 -2.89 0.00 0.00 54.13 52.28 1zit s LEU 44 Cb 0.00 -3.39 0.08 0.00 0.66 0.00 0.00 46.19 43.54 1zit s LEU 44 CO 0.00 -0.58 1.38 0.12 -1.89 0.00 0.00 176.35 175.38 1zit s PHE 45 N 2.92 2.77 0.09 5.38 2.19 -1.26 -4.25 117.98 125.82 1zit s PHE 45 Ca 0.40 -1.13 -0.30 0.00 0.33 0.00 0.00 56.93 56.23 1zit s PHE 45 Cb -0.15 -4.56 -0.05 0.00 -1.31 0.00 0.00 43.02 36.94 1zit s PHE 45 CO 0.08 -1.77 0.99 -0.06 1.83 0.00 0.00 175.22 176.29 1zit s PHE 46 N 4.07 3.73 -0.33 10.12 0.08 -1.26 -4.95 117.98 129.45 1zit s PHE 46 Ca 0.43 1.73 0.22 0.00 0.12 0.00 0.00 56.93 59.43 1zit s PHE 46 Cb -0.01 -3.11 0.17 0.00 -0.57 0.00 0.00 43.02 39.49 1zit s PHE 46 CO -0.08 -0.01 1.34 -1.00 -0.10 0.00 0.00 175.22 175.37 1zit h PRO 47 N 5.89 0.00 -3.14 0.24 0.14 -1.87 -3.41 132.00 129.85 1zit h PRO 47 Ca -0.42 0.00 -0.21 0.00 0.14 0.00 0.00 66.00 65.50 1zit h PRO 47 Cb 1.21 0.00 -0.30 0.00 0.14 0.00 0.00 31.00 32.05 1zit h PRO 47 CO 0.73 0.03 -0.53 0.08 0.14 0.00 0.00 178.00 178.45 1zit s VAL 48 N -3.26 -0.04 0.22 1.56 1.01 -1.26 0.11 120.40 118.75 1zit s VAL 48 Ca 0.03 0.14 0.11 0.00 0.00 0.00 0.00 61.98 62.26 1zit s VAL 48 Cb 0.07 -0.31 -0.05 0.00 0.00 0.00 0.00 36.38 36.09 1zit s VAL 48 CO 0.73 0.06 -0.20 -0.63 0.00 0.00 0.00 175.10 175.05 1zit s ILE 49 N 1.06 2.54 -0.28 2.22 -1.09 0.25 0.60 121.20 126.50 1zit s ILE 49 Ca -0.08 -2.09 -0.01 0.00 -2.23 0.00 0.00 60.65 56.24 1zit s ILE 49 Cb -0.10 -2.26 0.13 0.00 -1.58 0.00 0.00 42.46 38.65 1zit s ILE 49 CO -0.06 -0.21 0.28 -0.69 -1.23 0.00 0.00 174.94 173.03 1zit s VAL 50 N -1.94 -0.39 -0.49 2.92 1.01 0.20 -2.60 120.40 119.11 1zit s VAL 50 Ca 0.24 -0.44 -0.23 0.00 0.00 0.00 0.00 61.98 61.55 1zit s VAL 50 Cb -0.07 -0.95 0.03 0.00 0.00 0.00 0.00 36.38 35.40 1zit s VAL 50 CO 0.12 -0.44 0.80 -0.22 0.00 0.00 0.00 175.10 175.36 1zit s LEU 51 N 2.36 4.33 -0.86 3.92 2.96 -1.26 0.19 118.68 130.33 1zit s LEU 51 Ca 0.09 -0.32 -0.17 0.00 -0.22 0.00 0.00 54.13 53.51 1zit s LEU 51 Cb -0.14 -2.83 0.15 0.00 0.50 0.00 0.00 46.19 43.87 1zit s LEU 51 CO -0.30 -0.99 0.97 -0.62 -1.32 0.00 0.00 176.35 174.09 1zit s ASP 52 N 2.41 6.61 -0.56 3.68 2.15 0.26 -2.76 116.67 128.46 1zit s ASP 52 Ca 0.27 -2.14 -0.21 0.00 0.43 0.00 0.00 52.55 50.90 1zit s ASP 52 Cb -0.13 -2.33 -0.19 0.00 -0.30 0.00 0.00 42.92 39.96 1zit s ASP 52 CO 0.20 -0.94 1.81 1.33 -0.17 0.00 0.00 175.17 177.40 1zit n VAL 53 N 5.06 1.35 0.00 1.11 0.24 -1.26 -3.99 118.33 120.85 1zit n VAL 53 Ca 0.17 -1.09 0.00 0.00 -2.04 0.00 0.00 64.34 61.37 1zit n VAL 53 Cb 0.48 -2.17 0.00 0.00 -1.47 0.00 0.00 33.84 30.68 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 7.28 0.00 -2.43 6.34 -0.00 -1.26 -4.80 117.44 122.57 1zit n TRP 54 Ca 0.45 0.00 -0.14 0.00 -0.00 0.00 0.00 57.50 57.82 1zit n TRP 54 Cb 0.35 0.00 0.03 0.00 -0.00 0.00 0.00 31.31 31.69 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 2.67 -0.01 5.87 1.56 -1.26 -5.09 117.12 120.86 1zit n MET 55 Ca 0.00 -3.87 0.00 0.00 -0.27 0.00 0.00 57.70 53.56 1zit n MET 55 Cb 0.00 -1.94 0.00 0.00 2.15 0.00 0.00 33.22 33.43 1zit n MET 55 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 1zit n PRO 56 N -0.60 0.43 -2.70 2.12 -0.04 -1.26 -5.06 135.00 127.88 1zit n PRO 56 Ca 0.26 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.67 1zit n PRO 56 Cb 0.87 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.40 1zit n PRO 56 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1zit n ASP 57 N -1.79 -0.15 -4.55 3.54 2.03 -1.26 -5.13 116.55 109.24 1zit n ASP 57 Ca 0.00 -2.44 -0.31 0.00 0.52 0.00 0.00 54.79 52.56 1zit n ASP 57 Cb 0.00 0.20 -0.07 0.00 -0.72 0.00 0.00 41.12 40.54 1zit n ASP 57 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1zit n GLY 58 N -0.56 3.56 3.24 0.27 0.00 -1.26 -5.10 105.19 105.33 1zit n GLY 58 Ca 0.00 -2.35 -0.43 0.00 0.00 0.00 0.00 46.02 43.25 1zit n GLY 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1zit s ASP 59 N -3.70 6.00 0.25 1.61 1.01 -1.26 -4.91 116.67 115.67 1zit s ASP 59 Ca 0.02 -2.29 0.09 0.00 0.71 0.00 0.00 52.55 51.07 1zit s ASP 59 Cb 0.00 -2.07 0.29 0.00 1.01 0.00 0.00 42.92 42.14 1zit s ASP 59 CO 0.01 -0.63 1.57 1.23 0.21 0.00 0.00 175.17 177.57 1zit h GLY 60 N 8.07 0.05 0.62 0.21 0.00 -1.99 -3.19 103.07 106.84 1zit h GLY 60 Ca -0.10 -0.07 0.06 0.00 0.00 0.00 0.00 47.33 47.23 1zit h GLY 60 CO 0.83 0.06 0.32 -2.08 0.00 0.00 0.00 176.54 175.67 1zit h VAL 61 N 0.03 0.92 -0.02 4.60 2.07 -1.91 0.27 116.25 122.21 1zit h VAL 61 Ca -0.01 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1zit h VAL 61 Cb 1.16 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1zit h VAL 61 CO 0.09 0.11 0.00 -3.20 0.02 0.00 0.00 177.57 174.58 1zit n ASN 62 N -4.85 0.40 0.02 0.57 2.85 -1.22 -3.57 115.26 109.46 1zit n ASN 62 Ca 0.08 -1.29 -0.17 0.00 -0.11 0.00 0.00 54.58 53.09 1zit n ASN 62 Cb 0.19 -0.01 -0.14 0.00 1.24 0.00 0.00 39.78 41.06 1zit n ASN 62 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 1zit h PHE 63 N 0.59 0.37 -1.17 1.20 3.57 -0.93 -3.35 116.94 117.21 1zit h PHE 63 Ca 0.00 -0.27 0.34 0.00 3.53 0.00 0.00 57.97 61.57 1zit h PHE 63 Cb 0.13 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.80 1zit h PHE 63 CO 0.01 1.48 0.88 0.82 -2.23 0.00 0.00 178.31 179.27 1zit h ILE 64 N 0.05 0.35 0.09 1.41 5.03 -1.56 0.78 117.51 123.66 1zit h ILE 64 Ca -0.34 0.00 -0.26 0.00 -0.12 0.00 0.00 64.86 64.14 1zit h ILE 64 Cb 2.03 0.38 0.01 0.00 -3.03 0.00 0.00 36.82 36.20 1zit h ILE 64 CO 0.11 0.00 -1.14 -0.78 -0.68 0.00 0.00 178.15 175.66 1zit h ASP 65 N 0.00 0.50 -0.87 1.72 1.82 -1.80 -3.19 116.42 114.61 1zit h ASP 65 Ca 0.55 -0.48 0.03 0.00 -0.39 0.00 0.00 57.03 56.75 1zit h ASP 65 Cb 2.31 -0.16 -0.05 0.00 0.68 0.00 0.00 39.33 42.11 1zit h ASP 65 CO -0.01 1.33 0.56 0.15 -1.61 0.00 0.00 179.24 179.66 1zit h PHE 66 N 0.14 1.05 -0.39 0.28 3.04 0.42 0.91 116.94 122.38 1zit h PHE 66 Ca -0.12 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.85 1zit h PHE 66 Cb 1.83 -0.35 -0.02 0.00 2.56 0.00 0.00 35.95 39.98 1zit h PHE 66 CO 0.07 0.60 0.21 0.82 -2.02 0.00 0.00 178.31 177.99 1zit h ILE 67 N 1.08 1.15 0.00 1.41 5.03 -1.50 -2.01 117.51 122.67 1zit h ILE 67 Ca 0.35 -0.38 -0.00 0.00 -0.12 0.00 0.00 64.86 64.70 1zit h ILE 67 Cb 0.01 0.70 -0.00 0.00 -3.03 0.00 0.00 36.82 34.50 1zit h ILE 67 CO -0.12 0.15 -0.01 0.11 -0.68 0.00 0.00 178.15 177.60 1zit h LYS 68 N 0.50 0.00 -0.36 2.37 1.79 -1.38 0.62 116.57 120.10 1zit h LYS 68 Ca 0.14 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.50 1zit h LYS 68 Cb 0.06 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 1zit h LYS 68 CO -0.02 0.01 -0.20 1.49 -1.08 0.00 0.00 179.45 179.65 1zit h GLU 69 N 0.00 0.77 -0.02 3.15 4.81 0.15 -3.16 114.58 120.28 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 0.84 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.21 1zit h GLU 69 CO 0.00 0.97 0.00 0.09 -0.73 0.00 0.00 179.01 179.34 1zit n ASN 70 N -4.27 2.27 -2.73 1.04 3.02 -0.82 -4.81 115.26 108.96 1zit n ASN 70 Ca -0.02 -2.59 -0.07 0.00 -0.03 0.00 0.00 54.58 51.87 1zit n ASN 70 Cb 0.42 -0.24 0.06 0.00 -0.61 0.00 0.00 39.78 39.41 1zit n ASN 70 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1zit n SER 71 N -0.94 -2.47 0.28 6.41 7.64 0.22 -4.85 113.62 119.90 1zit n SER 71 Ca 0.09 -3.07 0.17 0.00 1.01 0.00 0.00 58.87 57.07 1zit n SER 71 Cb 0.48 1.64 0.72 0.00 -1.01 0.00 0.00 64.21 66.04 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 -0.77 1.43 0.11 -1.67 -2.62 132.00 132.09 1zit h PRO 72 Ca -0.16 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.60 1zit h PRO 72 Cb 1.08 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 31.98 1zit h PRO 72 CO 0.20 0.02 0.38 -3.47 -0.21 0.00 0.00 178.00 174.92 1zit n ASP 73 N -3.12 3.79 0.00 -2.05 -0.08 -1.26 -4.94 116.55 108.88 1zit n ASP 73 Ca 0.00 -3.52 0.00 0.00 -1.51 0.00 0.00 54.79 49.76 1zit n ASP 73 Cb 0.29 -0.76 0.00 0.00 2.34 0.00 0.00 41.12 42.99 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 -0.86 0.53 -3.70 1.67 2.88 -0.98 -4.79 113.62 108.37 1zit n SER 74 Ca 0.48 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.90 1zit n SER 74 Cb 1.44 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 64.81 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 1.93 -0.00 -0.27 2.46 1.01 0.30 -4.86 120.40 120.97 1zit s VAL 75 Ca 0.00 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.03 1zit s VAL 75 Cb 0.00 -0.70 0.07 0.00 0.00 0.00 0.00 36.38 35.74 1zit s VAL 75 CO 0.00 0.01 -0.08 -0.69 0.00 0.00 0.00 175.10 174.33 1zit s VAL 76 N 0.55 2.21 -0.20 2.92 1.01 -1.26 0.86 120.40 126.48 1zit s VAL 76 Ca -0.02 -1.74 -0.16 0.00 0.00 0.00 0.00 61.98 60.05 1zit s VAL 76 Cb -0.04 -2.36 -0.12 0.00 0.00 0.00 0.00 36.38 33.86 1zit s VAL 76 CO -0.03 -0.12 -0.07 -0.38 0.00 0.00 0.00 175.10 174.50 1zit n ILE 77 N 4.41 1.50 -2.80 2.22 2.08 -1.07 -0.35 119.36 125.34 1zit n ILE 77 Ca -0.11 -0.02 -0.02 0.00 0.56 0.00 0.00 62.75 63.16 1zit n ILE 77 Cb 0.42 -2.13 -0.02 0.00 -0.75 0.00 0.00 39.64 37.16 1zit n ILE 77 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 1zit n VAL 78 N -4.45 -9.43 -1.27 1.39 0.31 -1.26 -4.35 118.33 99.28 1zit n VAL 78 Ca -0.28 1.72 0.00 0.00 -0.01 0.00 0.00 64.34 65.77 1zit n VAL 78 Cb 0.60 -5.67 0.00 0.00 -0.91 0.00 0.00 33.84 27.86 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 1.34 0.00 -2.51 2.52 5.41 -1.11 -4.38 119.36 120.63 1zit n ILE 79 Ca -0.13 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.57 1zit n ILE 79 Cb 0.29 -0.89 0.01 0.00 -0.71 0.00 0.00 39.64 38.33 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 -9.19 -3.72 1.39 -1.04 -1.26 -4.14 114.28 96.32 1zit n THR 80 Ca 0.00 0.89 -0.11 0.00 -2.04 0.00 0.00 64.05 62.79 1zit n THR 80 Cb 0.00 -6.46 -0.00 0.00 -1.82 0.00 0.00 70.33 62.04 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 -0.11 3.02 1.83 3.41 0.00 -1.26 -4.49 105.19 107.59 1zit n GLY 81 Ca 0.07 -2.23 -0.15 0.00 0.00 0.00 0.00 46.02 43.71 1zit n GLY 81 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1zit n HIS 82 N -0.98 0.24 0.14 1.61 8.25 -1.26 -5.04 115.22 118.18 1zit n HIS 82 Ca -0.02 -1.38 0.01 0.00 -0.26 0.00 0.00 57.72 56.07 1zit n HIS 82 Cb 0.26 -0.06 0.16 0.00 1.12 0.00 0.00 29.99 31.47 1zit n HIS 82 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1zit h GLY 83 N 0.80 0.00 1.54 -1.41 0.00 -2.07 -3.19 103.07 98.75 1zit h GLY 83 Ca -0.19 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 46.93 1zit h GLY 83 CO 0.30 0.00 -0.90 0.23 0.00 0.00 0.00 176.54 176.17 1zit h SER 84 N 0.00 0.53 -3.21 0.19 0.87 -2.06 -3.47 113.55 106.40 1zit h SER 84 Ca -0.01 -0.41 -0.33 0.00 -1.23 0.00 0.00 61.79 59.81 1zit h SER 84 Cb 1.17 -0.16 0.03 0.00 -0.44 0.00 0.00 62.40 62.99 1zit h SER 84 CO 0.08 1.20 -0.47 0.52 -0.53 0.00 0.00 176.83 177.63 1zit n VAL 85 N -3.77 -1.32 0.47 2.23 0.31 -1.21 -4.89 118.33 110.16 1zit n VAL 85 Ca -0.06 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.38 1zit n VAL 85 Cb 0.81 -2.83 -0.03 0.00 -0.91 0.00 0.00 33.84 30.88 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 -1.52 0.56 0.07 4.52 5.75 -1.26 -3.99 116.55 120.68 1zit n ASP 86 Ca -0.13 -0.22 -0.15 0.00 -0.01 0.00 0.00 54.79 54.27 1zit n ASP 86 Cb 0.62 1.02 -0.14 0.00 -1.03 0.00 0.00 41.12 41.59 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 1.27 0.79 2.12 1.03 -1.97 -3.04 112.91 113.11 1zit h THR 87 Ca 0.00 -2.90 -0.04 0.00 -0.01 0.00 0.00 66.41 63.46 1zit h THR 87 Cb 0.78 2.80 0.00 0.00 -1.07 0.00 0.00 68.15 70.66 1zit h THR 87 CO 0.00 0.83 -0.42 0.00 -0.01 0.00 0.00 175.52 175.92 1zit h ALA 88 N 0.57 -1.14 -0.22 0.00 0.00 -1.96 -2.26 119.26 114.25 1zit h ALA 88 Ca -0.20 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.54 1zit h ALA 88 Cb 1.99 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 20.26 1zit h ALA 88 CO 0.17 -1.15 0.17 -0.39 0.00 0.00 0.00 179.25 178.05 1zit h VAL 89 N -1.12 0.79 0.00 0.00 -1.51 -1.70 0.95 116.25 113.65 1zit h VAL 89 Ca -0.11 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 1zit h VAL 89 Cb 0.88 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 30.91 1zit h VAL 89 CO 0.15 0.00 0.00 1.17 -1.23 0.00 0.00 177.57 177.66 1zit n LYS 90 N -4.32 0.26 0.00 5.19 4.81 -0.89 -3.98 118.16 119.24 1zit n LYS 90 Ca 0.02 0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 1zit n LYS 90 Cb 0.32 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.87 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 -1.33 2.43 -1.41 3.14 0.00 0.65 -4.75 120.51 119.24 1zit n ALA 91 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.21 1zit n ALA 91 Cb 0.20 0.38 0.07 0.00 0.00 0.00 0.00 19.45 20.10 1zit n ALA 91 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1zit s ILE 92 N -1.86 3.02 0.00 0.00 -4.36 0.30 -3.38 121.20 114.90 1zit s ILE 92 Ca 0.00 0.45 0.00 0.00 -0.26 0.00 0.00 60.65 60.84 1zit s ILE 92 Cb 0.00 -2.95 0.00 0.00 1.25 0.00 0.00 42.46 40.76 1zit s ILE 92 CO 0.00 -0.31 0.00 0.29 0.24 0.00 0.00 174.94 175.16 1zit n LYS 93 N -2.71 0.00 0.21 0.37 5.02 -1.24 -4.60 118.16 115.22 1zit n LYS 93 Ca 0.11 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.55 1zit n LYS 93 Cb 0.52 0.00 0.70 0.00 -0.02 0.00 0.00 35.03 36.23 1zit n LYS 93 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1zit h LYS 94 N 0.00 0.00 0.00 1.97 1.57 -1.88 -3.42 116.57 114.81 1zit h LYS 94 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1zit h LYS 94 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1zit h LYS 94 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 1zit n GLY 95 N -0.59 0.11 3.75 3.86 0.00 -1.24 -4.92 105.19 106.16 1zit n GLY 95 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 1.43 -1.08 4.61 0.00 -1.23 -4.54 121.76 120.94 1zit s ALA 96 Ca 0.00 -0.96 0.19 0.00 0.00 0.00 0.00 51.96 51.19 1zit s ALA 96 Cb 0.00 -2.88 -0.17 0.00 0.00 0.00 0.00 23.12 20.08 1zit s ALA 96 CO 0.00 -2.91 0.84 0.98 0.00 0.00 0.00 175.76 174.67 1zit n TYR 97 N -4.20 0.00 0.00 0.00 9.36 0.53 -3.61 117.16 119.23 1zit n TYR 97 Ca 0.13 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.35 1zit n TYR 97 Cb 0.59 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.30 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 -1.17 0.00 -3.44 2.98 0.28 -1.26 -4.93 120.64 113.09 1zit n GLU 98 Ca 0.05 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.61 1zit n GLU 98 Cb 0.32 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.13 1zit n GLU 98 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1zit s PHE 99 N -1.73 3.45 -0.84 -1.84 0.40 -1.26 -4.55 117.98 111.60 1zit s PHE 99 Ca 0.00 -1.80 -0.22 0.00 -0.60 0.00 0.00 56.93 54.31 1zit s PHE 99 Cb 0.00 -3.64 -0.19 0.00 0.51 0.00 0.00 43.02 39.70 1zit s PHE 99 CO 0.00 -0.99 2.35 -0.11 0.70 0.00 0.00 175.22 177.18 1zit n LEU 100 N 4.66 1.00 -0.00 -0.37 7.94 -1.26 -4.56 117.00 124.40 1zit n LEU 100 Ca -0.03 -1.26 0.03 0.00 -1.11 0.00 0.00 56.01 53.64 1zit n LEU 100 Cb 0.42 -1.38 -0.05 0.00 0.53 0.00 0.00 43.42 42.93 1zit n LEU 100 CO 0.43 -2.34 -0.50 -0.62 -1.11 0.00 0.00 177.39 173.26 1zit n GLU 101 N 7.99 0.89 0.05 1.96 1.02 -1.26 -4.60 120.64 126.69 1zit n GLU 101 Ca 0.52 -0.05 -0.11 0.00 -0.02 0.00 0.00 57.16 57.50 1zit n GLU 101 Cb 0.36 -1.11 -0.04 0.00 -0.02 0.00 0.00 31.44 30.63 1zit n GLU 101 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1zit h LYS 102 N 0.00 -0.28 0.00 3.49 3.64 -2.05 -3.43 116.57 117.94 1zit h LYS 102 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1zit h LYS 102 Cb 0.29 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1zit h LYS 102 CO 0.00 -0.19 0.00 -2.30 -2.27 0.00 0.00 179.45 174.69 1zit n PRO 103 N -5.32 0.95 0.00 1.90 -0.02 -1.26 -5.03 135.00 126.21 1zit n PRO 103 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1zit n PRO 103 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.72 1zit n PRO 103 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1zit n PHE 104 N -1.12 -0.91 0.00 6.00 3.01 -1.26 -5.04 117.46 118.14 1zit n PHE 104 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1zit n PHE 104 Cb 0.00 0.25 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 1zit n PHE 104 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1zit n SER 105 N -2.01 0.00 0.00 4.37 7.64 -1.26 -5.07 113.62 117.29 1zit n SER 105 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1zit n SER 105 Cb 0.00 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 1zit n SER 105 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1zit n VAL 106 N -2.13 0.00 -0.27 0.44 3.14 -1.26 -5.00 118.33 113.25 1zit n VAL 106 Ca 0.00 0.00 0.16 0.00 -2.96 0.00 0.00 64.34 61.54 1zit n VAL 106 Cb 0.00 0.00 0.30 0.00 -1.06 0.00 0.00 33.84 33.08 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 0.00 -0.06 -0.15 1.45 2.13 -1.26 0.18 120.64 122.93 1zit n GLU 107 Ca 0.00 1.18 -0.11 0.00 0.66 0.00 0.00 57.16 58.89 1zit n GLU 107 Cb 0.00 -1.93 -0.01 0.00 0.27 0.00 0.00 31.44 29.77 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 0.81 -0.67 5.31 9.65 -2.01 -2.77 114.38 124.69 1zit h ARG 108 Ca 0.54 -0.29 0.18 0.00 -1.10 0.00 0.00 59.98 59.31 1zit h ARG 108 Cb 1.23 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.72 1zit h ARG 108 CO -0.72 0.91 0.48 0.35 2.80 0.00 0.00 179.97 183.79 1zit h PHE 109 N 0.64 0.10 -0.66 2.20 3.57 0.15 -0.88 116.94 122.06 1zit h PHE 109 Ca 0.11 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.68 1zit h PHE 109 Cb 0.59 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.24 1zit h PHE 109 CO 0.05 0.03 0.36 1.25 -2.23 0.00 0.00 178.31 177.77 1zit h LEU 110 N 0.08 0.52 0.27 0.59 6.46 -1.12 -1.70 115.31 120.42 1zit h LEU 110 Ca 0.32 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 58.12 1zit h LEU 110 Cb 1.17 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 41.01 1zit h LEU 110 CO -0.03 0.33 -0.28 -0.07 -0.62 0.00 0.00 178.44 177.77 1zit h LEU 111 N 0.66 -0.76 -0.86 2.25 4.07 -1.28 -2.69 115.31 116.70 1zit h LEU 111 Ca 0.30 0.07 0.08 0.00 0.08 0.00 0.00 57.88 58.40 1zit h LEU 111 Cb 0.20 0.26 -0.07 0.00 1.08 0.00 0.00 40.66 42.14 1zit h LEU 111 CO -0.19 -0.40 0.52 0.74 -1.08 0.00 0.00 178.44 178.02 1zit h THR 112 N -0.59 0.99 -0.66 0.22 2.02 -1.55 -2.82 112.91 110.52 1zit h THR 112 Ca -0.01 -0.31 0.11 0.00 0.77 0.00 0.00 66.41 66.97 1zit h THR 112 Cb 0.55 -0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.83 1zit h THR 112 CO -0.06 0.17 -0.36 0.40 0.37 0.00 0.00 175.52 176.03 1zit h ILE 113 N 0.91 0.13 -0.14 3.11 1.08 -0.97 0.28 117.51 121.92 1zit h ILE 113 Ca 0.39 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.89 1zit h ILE 113 Cb 0.25 0.13 -0.06 0.00 -3.07 0.00 0.00 36.82 34.07 1zit h ILE 113 CO -0.20 0.00 -0.48 0.50 -0.69 0.00 0.00 178.15 177.28 1zit h LYS 114 N -0.14 -0.48 -1.15 2.37 3.11 -1.45 0.41 116.57 119.24 1zit h LYS 114 Ca 0.24 0.03 0.33 0.00 -2.81 0.00 0.00 60.65 58.44 1zit h LYS 114 Cb 0.56 0.11 -0.06 0.00 -1.00 0.00 0.00 32.23 31.84 1zit h LYS 114 CO -0.74 -0.32 0.80 1.25 -2.81 0.00 0.00 179.45 177.64 1zit h HIS 115 N -0.50 0.19 -0.51 1.91 2.76 -1.28 0.85 115.15 118.57 1zit h HIS 115 Ca 0.03 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.16 1zit h HIS 115 Cb 0.59 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.47 1zit h HIS 115 CO -0.58 0.01 0.12 0.00 -1.30 0.00 0.00 177.93 176.18 1zit h ALA 116 N 1.47 1.26 0.00 5.26 0.00 0.18 -2.63 119.26 124.81 1zit h ALA 116 Ca 0.58 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 55.10 1zit h ALA 116 Cb 2.07 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.62 1zit h ALA 116 CO -0.10 0.51 -1.11 0.74 0.00 0.00 0.00 179.25 179.30 1zit h PHE 117 N 0.75 0.00 -0.23 0.00 -1.00 0.13 -3.30 116.94 113.28 1zit h PHE 117 Ca 0.17 0.00 0.07 0.00 2.81 0.00 0.00 57.97 61.01 1zit h PHE 117 Cb 0.28 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.83 1zit h PHE 117 CO 0.01 0.83 0.33 1.49 -1.61 0.00 0.00 178.31 179.37 1zit h GLU 118 N 0.00 0.00 0.00 1.51 4.81 -0.54 0.44 114.58 120.79 1zit h GLU 118 Ca -0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1zit h GLU 118 Cb 1.71 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.09 1zit h GLU 118 CO 0.09 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 178.76 1zit n GLU 119 N -3.51 0.32 -1.28 1.92 -0.58 -1.22 -3.22 120.64 113.07 1zit n GLU 119 Ca 0.03 0.07 -0.30 0.00 -0.42 0.00 0.00 57.16 56.54 1zit n GLU 119 Cb 0.46 -1.50 0.13 0.00 -0.57 0.00 0.00 31.44 29.96 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 -1.30 3.14 -0.56 -0.32 9.36 0.15 -5.06 117.16 122.58 1zit n TYR 120 Ca 0.11 -2.47 0.00 0.00 3.32 0.00 0.00 57.90 58.86 1zit n TYR 120 Cb 0.19 -1.21 0.00 0.00 -0.63 0.00 0.00 39.34 37.70 1zit n TYR 120 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51