#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 -3.24 -3.65 0.03 4.76 -1.26 -4.62 118.16 110.18 1zit n LYS 2 Ca 0.00 2.64 -0.19 0.00 -2.87 0.00 0.00 58.31 57.89 1zit n LYS 2 Cb 0.00 -5.45 -0.16 0.00 -1.84 0.00 0.00 35.03 27.58 1zit n LYS 2 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1zit s ARG 3 N -1.87 0.02 0.29 1.97 3.00 -1.26 0.05 118.95 121.15 1zit s ARG 3 Ca 0.06 0.42 0.11 0.00 0.00 0.00 0.00 55.73 56.32 1zit s ARG 3 Cb -0.02 -0.58 -0.05 0.00 0.00 0.00 0.00 34.95 34.31 1zit s ARG 3 CO 0.78 -0.38 -0.14 0.08 0.00 0.00 0.00 175.30 175.63 1zit s VAL 4 N 2.25 2.63 -0.10 3.52 1.01 -0.91 -3.80 120.40 124.99 1zit s VAL 4 Ca 0.04 -2.28 0.02 0.00 0.00 0.00 0.00 61.98 59.75 1zit s VAL 4 Cb -0.13 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 1zit s VAL 4 CO -0.06 -0.36 -0.15 -0.22 0.00 0.00 0.00 175.10 174.31 1zit s LEU 5 N -3.56 2.65 -0.61 3.92 2.96 0.23 -2.16 118.68 122.12 1zit s LEU 5 Ca 0.31 -0.31 -0.02 0.00 -0.22 0.00 0.00 54.13 53.89 1zit s LEU 5 Cb -0.04 -1.57 0.16 0.00 0.50 0.00 0.00 46.19 45.24 1zit s LEU 5 CO 0.16 0.23 0.41 -0.69 -1.32 0.00 0.00 176.35 175.14 1zit s VAL 6 N -0.02 3.54 -0.43 1.68 1.01 -1.26 0.12 120.40 125.05 1zit s VAL 6 Ca -0.04 -3.00 -0.27 0.00 0.00 0.00 0.00 61.98 58.66 1zit s VAL 6 Cb -0.14 -3.33 0.02 0.00 0.00 0.00 0.00 36.38 32.93 1zit s VAL 6 CO 0.04 -0.86 1.03 -0.69 0.00 0.00 0.00 175.10 174.62 1zit s VAL 7 N -0.08 4.40 -0.11 2.92 1.01 0.61 0.59 120.40 129.73 1zit s VAL 7 Ca 0.17 1.16 -0.09 0.00 0.00 0.00 0.00 61.98 63.22 1zit s VAL 7 Cb -0.21 -4.48 0.03 0.00 0.00 0.00 0.00 36.38 31.73 1zit s VAL 7 CO -0.03 -0.79 0.28 -0.62 0.00 0.00 0.00 175.10 173.94 1zit s ASP 8 N 2.18 -0.30 0.00 3.32 2.15 -1.04 0.61 116.67 123.58 1zit s ASP 8 Ca 0.43 0.57 0.00 0.00 0.43 0.00 0.00 52.55 53.98 1zit s ASP 8 Cb -0.10 0.55 0.00 0.00 -0.30 0.00 0.00 42.92 43.07 1zit s ASP 8 CO 0.25 -0.12 0.45 -0.67 -0.17 0.00 0.00 175.17 174.92 1zit n ASP 9 N 3.25 0.00 -4.91 -0.34 2.03 -0.14 -3.82 116.55 112.62 1zit n ASP 9 Ca -0.16 0.45 -0.27 0.00 0.52 0.00 0.00 54.79 55.33 1zit n ASP 9 Cb 0.57 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.99 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 -0.91 3.15 -1.27 -0.67 2.12 -1.26 -4.84 118.70 115.02 1zit s GLU 10 Ca 0.00 0.14 -0.15 0.00 0.36 0.00 0.00 54.97 55.32 1zit s GLU 10 Cb 0.00 -2.27 0.12 0.00 0.26 0.00 0.00 34.13 32.24 1zit s GLU 10 CO 0.00 -0.57 1.65 0.39 -0.54 0.00 0.00 175.26 176.19 1zit n GLU 11 N -2.53 3.27 -0.06 4.30 1.02 -1.26 -4.54 120.64 120.85 1zit n GLU 11 Ca 0.04 -3.49 -0.07 0.00 -0.02 0.00 0.00 57.16 53.61 1zit n GLU 11 Cb 0.57 -3.26 -0.07 0.00 -0.02 0.00 0.00 31.44 28.65 1zit n GLU 11 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1zit n SER 12 N 6.85 2.74 -0.03 1.62 2.88 -1.26 -4.74 113.62 121.67 1zit n SER 12 Ca 0.44 -0.04 -0.04 0.00 -1.33 0.00 0.00 58.87 57.90 1zit n SER 12 Cb 0.44 0.25 -0.04 0.00 -0.75 0.00 0.00 64.21 64.11 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 -2.64 0.42 -0.20 2.46 -0.00 -1.26 -4.52 119.36 113.61 1zit n ILE 13 Ca -0.20 -0.20 0.31 0.00 -0.00 0.00 0.00 62.75 62.66 1zit n ILE 13 Cb 0.79 -0.80 0.70 0.00 -0.00 0.00 0.00 39.64 40.33 1zit n ILE 13 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.55 177.26 1zit h THR 14 N 0.00 0.32 0.00 1.39 1.35 -1.87 0.62 112.91 114.72 1zit h THR 14 Ca -0.16 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.69 1zit h THR 14 Cb 1.30 0.39 -0.00 0.00 -1.73 0.00 0.00 68.15 68.11 1zit h THR 14 CO -0.01 0.00 -0.04 -1.28 -0.25 0.00 0.00 175.52 173.94 1zit h SER 15 N 0.00 0.00 0.37 5.36 0.87 -1.85 -3.11 113.55 115.19 1zit h SER 15 Ca 0.46 -0.53 -0.02 0.00 -1.23 0.00 0.00 61.79 60.47 1zit h SER 15 Cb 2.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.07 1zit h SER 15 CO -0.00 0.79 -0.18 0.28 -0.53 0.00 0.00 176.83 177.19 1zit h SER 16 N -1.00 -0.42 -0.84 6.23 0.02 -1.42 -3.30 113.55 112.82 1zit h SER 16 Ca -0.01 0.01 0.21 0.00 -0.84 0.00 0.00 61.79 61.17 1zit h SER 16 Cb 0.56 0.11 -0.14 0.00 0.14 0.00 0.00 62.40 63.07 1zit h SER 16 CO -0.01 -0.13 0.11 0.25 -1.14 0.00 0.00 176.83 175.91 1zit h LEU 17 N -0.82 -0.22 -1.23 5.07 7.12 -0.05 0.22 115.31 125.40 1zit h LEU 17 Ca -0.05 0.21 0.35 0.00 0.13 0.00 0.00 57.88 58.52 1zit h LEU 17 Cb 0.38 0.33 -0.13 0.00 -0.53 0.00 0.00 40.66 40.71 1zit h LEU 17 CO 0.08 -0.19 0.69 -1.28 -0.13 0.00 0.00 178.44 177.61 1zit h SER 18 N 0.14 0.40 -0.34 1.25 0.87 -1.61 1.08 113.55 115.34 1zit h SER 18 Ca 0.50 0.15 -0.12 0.00 -1.23 0.00 0.00 61.79 61.08 1zit h SER 18 Cb 0.95 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.01 1zit h SER 18 CO -0.70 -0.11 -0.24 0.00 -0.53 0.00 0.00 176.83 175.26 1zit h ALA 19 N 1.71 0.81 0.08 6.23 0.00 -0.66 -1.86 119.26 125.57 1zit h ALA 19 Ca 0.73 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1zit h ALA 19 Cb 1.96 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1zit h ALA 19 CO -0.47 0.65 -0.04 0.82 0.00 0.00 0.00 179.25 180.20 1zit h ILE 20 N 0.72 0.00 -0.83 0.00 5.03 0.12 -2.59 117.51 119.96 1zit h ILE 20 Ca 0.09 -0.06 0.24 0.00 -0.12 0.00 0.00 64.86 65.02 1zit h ILE 20 Cb 0.77 0.00 -0.03 0.00 -3.03 0.00 0.00 36.82 34.53 1zit h ILE 20 CO 0.06 0.00 0.76 0.17 -0.68 0.00 0.00 178.15 178.46 1zit h LEU 21 N -0.17 0.00 -0.68 1.44 -0.00 -1.12 1.22 115.31 116.00 1zit h LEU 21 Ca -0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.75 1zit h LEU 21 Cb 0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.73 1zit h LEU 21 CO 0.02 0.00 -0.58 -0.33 -0.00 0.00 0.00 178.44 177.55 1zit h GLU 22 N 0.00 0.00 0.17 0.17 5.08 -1.31 -3.04 114.58 115.66 1zit h GLU 22 Ca 0.40 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.46 1zit h GLU 22 Cb 1.91 0.00 0.02 0.00 0.50 0.00 0.00 28.75 31.17 1zit h GLU 22 CO -0.00 0.58 -1.35 1.49 -1.00 0.00 0.00 179.01 178.73 1zit h GLU 23 N 0.00 0.36 0.00 2.33 4.81 0.19 -3.22 114.58 119.05 1zit h GLU 23 Ca -0.01 -0.62 0.00 0.00 -0.13 0.00 0.00 59.36 58.60 1zit h GLU 23 Cb 1.13 0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.74 1zit h GLU 23 CO 0.08 1.29 0.00 0.93 -0.73 0.00 0.00 179.01 180.58 1zit h GLU 24 N 0.10 0.00 -1.95 1.92 3.07 -1.30 -3.46 114.58 112.95 1zit h GLU 24 Ca -0.18 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.68 1zit h GLU 24 Cb 2.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.96 1zit h GLU 24 CO 0.23 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.25 1zit n GLY 25 N -0.66 0.46 2.32 -3.84 0.00 -1.19 -5.11 105.19 97.18 1zit n GLY 25 Ca -0.01 -0.43 -0.15 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.80 -0.40 -3.77 1.61 4.02 -1.15 -4.82 117.16 111.84 1zit n TYR 26 Ca 0.00 -1.97 -0.30 0.00 -0.01 0.00 0.00 57.90 55.62 1zit n TYR 26 Cb 0.33 0.16 -0.14 0.00 -0.02 0.00 0.00 39.34 39.67 1zit n TYR 26 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1zit s HIS 27 N -2.89 2.25 0.02 -0.72 2.46 0.11 -4.82 115.29 111.70 1zit s HIS 27 Ca 0.25 -2.49 -0.25 0.00 0.47 0.00 0.00 55.06 53.04 1zit s HIS 27 Cb 0.01 -2.08 -0.05 0.00 -0.13 0.00 0.00 32.58 30.33 1zit s HIS 27 CO 0.18 -0.80 0.79 -1.25 -2.47 0.00 0.00 174.74 171.19 1zit s PRO 28 N 0.46 4.51 0.00 2.88 0.04 -1.25 -2.14 135.00 139.49 1zit s PRO 28 Ca 0.16 1.09 0.11 0.00 0.04 0.00 0.00 61.00 62.41 1zit s PRO 28 Cb -0.23 -3.39 0.26 0.00 0.04 0.00 0.00 34.50 31.17 1zit s PRO 28 CO -0.03 0.21 1.16 -3.47 0.04 0.00 0.00 177.00 174.90 1zit n ASP 29 N 3.08 2.70 0.00 6.66 2.03 -0.92 -4.99 116.55 125.11 1zit n ASP 29 Ca -0.01 -1.86 0.00 0.00 0.52 0.00 0.00 54.79 53.44 1zit n ASP 29 Cb 0.50 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 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 0.59 0.00 -3.27 5.18 -2.24 -1.26 -4.73 114.28 108.55 1zit n THR 30 Ca 0.11 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.86 1zit n THR 30 Cb 0.40 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 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 0.13 0.10 -0.10 6.98 0.00 0.20 -4.82 120.51 122.99 1zit n ALA 31 Ca 0.00 -0.21 -0.17 0.00 0.00 0.00 0.00 53.44 53.06 1zit n ALA 31 Cb 0.00 0.07 -0.09 0.00 0.00 0.00 0.00 19.45 19.43 1zit n ALA 31 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1zit n LYS 32 N -0.87 0.49 -0.88 0.00 4.81 -1.25 -2.51 118.16 117.96 1zit n LYS 32 Ca 0.01 0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1zit n LYS 32 Cb 0.06 -1.36 0.00 0.00 0.02 0.00 0.00 35.03 33.75 1zit n LYS 32 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1zit n THR 33 N -3.39 0.00 0.10 3.15 -1.04 -1.26 -0.97 114.28 110.87 1zit n THR 33 Ca -0.38 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.50 1zit n THR 33 Cb 0.86 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 69.28 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 -0.22 -0.50 -4.42 3.38 -1.95 0.89 115.31 112.49 1zit h LEU 34 Ca 0.00 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.76 1zit h LEU 34 Cb 0.00 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1zit h LEU 34 CO 0.00 0.15 0.26 0.08 0.09 0.00 0.00 178.44 179.02 1zit h ARG 35 N -0.61 0.49 -0.21 1.13 0.11 -1.98 0.47 114.38 113.78 1zit h ARG 35 Ca -0.03 -0.03 -0.13 0.00 0.10 0.00 0.00 59.98 59.89 1zit h ARG 35 Cb 0.45 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 31.41 1zit h ARG 35 CO 0.04 0.32 -0.42 1.49 0.10 0.00 0.00 179.97 181.51 1zit h GLU 36 N 0.50 0.49 -0.22 0.08 4.57 -1.94 -2.66 114.58 115.40 1zit h GLU 36 Ca 0.22 -0.25 -0.11 0.00 -1.18 0.00 0.00 59.36 58.03 1zit h GLU 36 Cb 0.12 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1zit h GLU 36 CO -0.15 0.83 -0.34 0.00 -1.18 0.00 0.00 179.01 178.17 1zit h ALA 37 N 1.14 1.00 -0.48 2.92 0.00 0.18 -2.53 119.26 121.49 1zit h ALA 37 Ca 0.03 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 1zit h ALA 37 Cb 0.91 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1zit h ALA 37 CO 0.08 0.60 0.12 0.93 0.00 0.00 0.00 179.25 180.98 1zit h GLU 38 N 0.40 0.76 -0.93 0.00 5.08 0.11 0.41 114.58 120.41 1zit h GLU 38 Ca 0.05 -0.18 0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1zit h GLU 38 Cb 0.79 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.88 1zit h GLU 38 CO 0.06 0.74 0.61 -0.22 -1.00 0.00 0.00 179.01 179.21 1zit h LYS 39 N 0.65 1.11 -0.00 2.33 3.11 -1.27 0.77 116.57 123.26 1zit h LYS 39 Ca 0.15 -0.07 -0.00 0.00 -2.81 0.00 0.00 60.65 57.92 1zit h LYS 39 Cb 0.32 -0.25 0.00 0.00 -1.00 0.00 0.00 32.23 31.30 1zit h LYS 39 CO 0.00 0.74 -0.00 0.87 -2.81 0.00 0.00 179.45 178.24 1zit h LYS 40 N 1.15 0.01 0.00 1.90 1.79 -1.01 -3.20 116.57 117.21 1zit h LYS 40 Ca 0.38 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.81 1zit h LYS 40 Cb 0.06 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1zit h LYS 40 CO -0.12 0.62 -0.15 0.82 -1.08 0.00 0.00 179.45 179.53 1zit h ILE 41 N -0.61 0.84 -0.82 1.86 2.04 0.16 0.18 117.51 121.16 1zit h ILE 41 Ca -0.00 -0.58 0.24 0.00 1.00 0.00 0.00 64.86 65.52 1zit h ILE 41 Cb 0.62 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 1zit h ILE 41 CO 0.00 0.15 0.70 0.11 0.00 0.00 0.00 178.15 179.11 1zit h LYS 42 N 0.00 0.00 0.00 2.37 1.57 0.57 -3.18 116.57 117.90 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 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1zit h LYS 42 CO 0.02 0.00 -0.79 0.39 -0.57 0.00 0.00 179.45 178.50 1zit n GLU 43 N -3.92 0.00 -2.63 3.15 1.02 -0.99 -5.00 120.64 112.26 1zit n GLU 43 Ca 0.17 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.88 1zit n GLU 43 Cb 0.99 -0.78 -0.02 0.00 -0.02 0.00 0.00 31.44 31.61 1zit n GLU 43 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1zit s LEU 44 N -4.86 3.87 -0.70 -4.62 2.01 0.59 -4.98 118.68 109.98 1zit s LEU 44 Ca 0.00 0.91 -0.27 0.00 0.01 0.00 0.00 54.13 54.78 1zit s LEU 44 Cb 0.00 -3.54 0.03 0.00 0.01 0.00 0.00 46.19 42.69 1zit s LEU 44 CO 0.00 -0.96 1.25 0.12 1.01 0.00 0.00 176.35 177.77 1zit s PHE 45 N 3.83 2.37 -0.29 0.29 5.36 -1.26 -4.18 117.98 124.09 1zit s PHE 45 Ca 0.46 0.03 -0.14 0.00 -0.96 0.00 0.00 56.93 56.32 1zit s PHE 45 Cb -0.11 -4.59 -0.04 0.00 -0.34 0.00 0.00 43.02 37.94 1zit s PHE 45 CO 0.19 -1.96 0.32 -0.06 -1.46 0.00 0.00 175.22 172.25 1zit s PHE 46 N 5.50 3.23 -0.27 10.12 0.08 -1.26 -4.95 117.98 130.43 1zit s PHE 46 Ca 0.36 0.24 0.28 0.00 0.12 0.00 0.00 56.93 57.94 1zit s PHE 46 Cb -0.08 -2.53 1.01 0.00 -0.57 0.00 0.00 43.02 40.85 1zit s PHE 46 CO 0.17 -0.24 1.81 -1.00 -0.10 0.00 0.00 175.22 175.86 1zit h PRO 47 N 8.28 0.00 -2.95 0.24 0.13 -1.83 -3.42 132.00 132.46 1zit h PRO 47 Ca -0.32 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.64 1zit h PRO 47 Cb 1.17 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.02 1zit h PRO 47 CO 0.62 0.00 -0.42 0.08 -0.23 0.00 0.00 178.00 178.05 1zit s VAL 48 N -3.41 -0.03 0.27 1.56 1.01 -1.25 0.11 120.40 118.67 1zit s VAL 48 Ca 0.04 0.10 0.10 0.00 0.00 0.00 0.00 61.98 62.23 1zit s VAL 48 Cb 0.09 -0.43 -0.05 0.00 0.00 0.00 0.00 36.38 35.99 1zit s VAL 48 CO 0.53 0.04 -0.08 -0.63 0.00 0.00 0.00 175.10 174.96 1zit s ILE 49 N 1.05 3.06 -0.30 2.22 -1.09 0.18 0.77 121.20 127.08 1zit s ILE 49 Ca -0.07 -2.11 0.02 0.00 -2.23 0.00 0.00 60.65 56.27 1zit s ILE 49 Cb -0.08 -2.63 0.16 0.00 -1.58 0.00 0.00 42.46 38.33 1zit s ILE 49 CO -0.07 -0.38 0.42 -0.69 -1.23 0.00 0.00 174.94 172.99 1zit s VAL 50 N -2.40 -0.66 0.86 2.92 1.01 0.33 -2.30 120.40 120.16 1zit s VAL 50 Ca 0.31 -0.30 -0.11 0.00 0.00 0.00 0.00 61.98 61.88 1zit s VAL 50 Cb -0.06 -0.96 0.10 0.00 0.00 0.00 0.00 36.38 35.47 1zit s VAL 50 CO 0.18 -0.27 1.09 -0.22 0.00 0.00 0.00 175.10 175.88 1zit s LEU 51 N 2.51 2.42 -0.41 3.92 2.96 -1.26 -0.28 118.68 128.53 1zit s LEU 51 Ca 0.10 1.46 0.09 0.00 -0.22 0.00 0.00 54.13 55.56 1zit s LEU 51 Cb -0.12 -3.96 0.35 0.00 0.50 0.00 0.00 46.19 42.96 1zit s LEU 51 CO -0.29 -2.38 1.03 -0.67 -1.32 0.00 0.00 176.35 172.72 1zit n ASP 52 N -3.71 -1.05 -4.51 3.68 2.03 0.20 -2.14 116.55 111.04 1zit n ASP 52 Ca 0.07 -3.24 -0.23 0.00 0.52 0.00 0.00 54.79 51.92 1zit n ASP 52 Cb 0.55 0.86 -0.18 0.00 -0.72 0.00 0.00 41.12 41.63 1zit n ASP 52 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1zit n VAL 53 N 0.16 -0.00 0.00 5.18 0.31 -1.26 -4.27 118.33 118.44 1zit n VAL 53 Ca 0.10 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 1zit n VAL 53 Cb 0.72 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 1zit n VAL 53 CO 0.00 0.00 0.00 1.87 -1.32 0.00 0.00 176.83 177.38 1zit n TRP 54 N 8.90 0.00 -2.71 3.52 -0.00 -1.26 -4.64 117.44 121.24 1zit n TRP 54 Ca 0.63 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 58.07 1zit n TRP 54 Cb 0.20 -0.12 0.07 0.00 -0.00 0.00 0.00 31.31 31.45 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 -1.44 1.33 -0.07 5.87 0.00 -1.26 -5.09 117.12 116.45 1zit n MET 55 Ca 0.00 -2.72 0.00 0.00 0.00 0.00 0.00 57.70 54.98 1zit n MET 55 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 33.22 32.38 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 -0.51 2.39 -2.97 2.12 -0.04 -1.26 -5.04 135.00 129.68 1zit n PRO 56 Ca 0.02 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.34 1zit n PRO 56 Cb 0.83 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.32 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 -0.27 -0.69 -3.76 3.54 -0.08 -1.26 -5.11 116.55 108.92 1zit n ASP 57 Ca 0.00 -3.34 -0.14 0.00 -1.51 0.00 0.00 54.79 49.80 1zit n ASP 57 Cb 0.00 0.60 -0.14 0.00 2.34 0.00 0.00 41.12 43.92 1zit n ASP 57 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1zit s GLY 58 N -1.88 -0.02 0.39 0.27 0.00 -1.26 -5.14 107.32 99.68 1zit s GLY 58 Ca 0.31 0.59 -0.25 0.00 0.00 0.00 0.00 44.72 45.38 1zit s GLY 58 CO -0.07 0.87 1.08 0.51 0.00 0.00 0.00 173.10 175.49 1zit s ASP 59 N 1.03 6.77 -0.02 1.64 -4.77 -1.26 -4.97 116.67 115.08 1zit s ASP 59 Ca -0.08 2.12 0.18 0.00 -3.30 0.00 0.00 52.55 51.47 1zit s ASP 59 Cb -0.10 -2.60 -0.27 0.00 -1.09 0.00 0.00 42.92 38.86 1zit s ASP 59 CO -0.05 -0.49 0.42 0.61 0.70 0.00 0.00 175.17 176.37 1zit n GLY 60 N 0.51 -0.79 0.35 2.12 0.00 -1.26 -4.31 105.19 101.80 1zit n GLY 60 Ca 0.04 -0.43 0.09 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 0.80 0.00 1.61 2.07 -1.88 0.13 116.25 118.99 1zit h VAL 61 Ca 0.00 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1zit h VAL 61 Cb 0.77 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1zit h VAL 61 CO 0.00 0.15 -0.41 -3.20 0.02 0.00 0.00 177.57 174.13 1zit n ASN 62 N -4.73 0.46 0.12 0.57 5.15 -1.26 -3.95 115.26 111.63 1zit n ASN 62 Ca 0.20 0.03 -0.23 0.00 -0.60 0.00 0.00 54.58 53.98 1zit n ASN 62 Cb 0.45 0.03 -0.14 0.00 -0.53 0.00 0.00 39.78 39.59 1zit n ASN 62 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1zit h PHE 63 N 0.00 0.98 -1.18 1.20 3.57 -0.96 -3.28 116.94 117.27 1zit h PHE 63 Ca 0.00 -0.66 0.33 0.00 3.53 0.00 0.00 57.97 61.18 1zit h PHE 63 Cb 0.57 -0.06 -0.07 0.00 2.79 0.00 0.00 35.95 39.18 1zit h PHE 63 CO 0.00 1.50 0.81 0.82 -2.23 0.00 0.00 178.31 179.21 1zit h ILE 64 N 0.22 0.41 -0.00 1.41 5.03 -1.48 0.79 117.51 123.88 1zit h ILE 64 Ca -0.21 -0.05 -0.19 0.00 -0.12 0.00 0.00 64.86 64.28 1zit h ILE 64 Cb 2.02 0.25 -0.01 0.00 -3.03 0.00 0.00 36.82 36.05 1zit h ILE 64 CO 0.25 0.03 -0.85 -0.78 -0.68 0.00 0.00 178.15 176.12 1zit h ASP 65 N 0.14 0.27 -0.47 1.72 3.58 -1.78 -3.13 116.42 116.76 1zit h ASP 65 Ca 0.61 -0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.84 1zit h ASP 65 Cb 2.08 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 43.03 1zit h ASP 65 CO -0.15 1.00 0.27 0.15 -2.88 0.00 0.00 179.24 177.63 1zit h PHE 66 N 0.12 0.63 -0.77 0.28 3.57 0.50 1.00 116.94 122.28 1zit h PHE 66 Ca -0.04 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.49 1zit h PHE 66 Cb 1.47 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 39.95 1zit h PHE 66 CO 0.03 0.46 0.48 0.82 -2.23 0.00 0.00 178.31 177.87 1zit h ILE 67 N 0.62 1.07 0.00 1.41 5.03 -1.43 -0.55 117.51 123.66 1zit h ILE 67 Ca 0.17 -0.31 0.00 0.00 -0.12 0.00 0.00 64.86 64.59 1zit h ILE 67 Cb 0.03 0.09 0.00 0.00 -3.03 0.00 0.00 36.82 33.90 1zit h ILE 67 CO -0.03 0.17 -0.02 0.11 -0.68 0.00 0.00 178.15 177.69 1zit h LYS 68 N 0.91 0.00 -0.03 2.37 1.57 -1.38 0.78 116.57 120.79 1zit h LYS 68 Ca 0.32 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.98 1zit h LYS 68 Cb 0.08 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1zit h LYS 68 CO -0.14 0.00 -0.56 1.49 -0.57 0.00 0.00 179.45 179.68 1zit h GLU 69 N 0.00 0.08 0.00 3.15 4.81 0.26 -3.26 114.58 119.62 1zit h GLU 69 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1zit h GLU 69 Cb 0.96 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.35 1zit h GLU 69 CO 0.00 0.62 -0.22 0.27 -0.73 0.00 0.00 179.01 178.94 1zit n ASN 70 N -3.89 0.86 -2.72 1.04 0.23 -0.68 -4.90 115.26 105.21 1zit n ASN 70 Ca -0.02 -2.13 -0.07 0.00 -0.53 0.00 0.00 54.58 51.84 1zit n ASN 70 Cb 0.57 -0.21 0.06 0.00 -2.08 0.00 0.00 39.78 38.13 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 -0.45 -2.24 0.28 0.53 7.64 0.27 -4.93 113.62 114.73 1zit n SER 71 Ca 0.04 -2.75 0.17 0.00 1.01 0.00 0.00 58.87 57.34 1zit n SER 71 Cb 0.60 1.43 0.77 0.00 -1.01 0.00 0.00 64.21 66.00 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 3.54 0.00 -0.97 1.43 0.11 -1.66 -2.55 132.00 131.90 1zit h PRO 72 Ca -0.18 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.41 1zit h PRO 72 Cb 1.10 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 31.92 1zit h PRO 72 CO 0.12 0.05 0.64 -3.47 -0.21 0.00 0.00 178.00 175.13 1zit n ASP 73 N -3.21 4.11 -0.69 -2.05 2.03 -1.26 -4.94 116.55 110.54 1zit n ASP 73 Ca -0.01 -3.64 0.00 0.00 0.52 0.00 0.00 54.79 51.67 1zit n ASP 73 Cb 0.27 -0.84 0.00 0.00 -0.72 0.00 0.00 41.12 39.82 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 -1.12 1.27 -3.71 1.67 2.88 -0.96 -4.66 113.62 108.99 1zit n SER 74 Ca 0.59 -0.34 -0.12 0.00 -1.33 0.00 0.00 58.87 57.67 1zit n SER 74 Cb 1.54 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.90 1zit n SER 74 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1zit s VAL 75 N 0.81 -0.01 -0.35 2.46 1.01 0.31 -4.85 120.40 119.78 1zit s VAL 75 Ca 0.00 0.03 -0.08 0.00 0.00 0.00 0.00 61.98 61.93 1zit s VAL 75 Cb 0.00 -0.64 0.04 0.00 0.00 0.00 0.00 36.38 35.77 1zit s VAL 75 CO 0.00 0.01 0.14 -0.69 0.00 0.00 0.00 175.10 174.56 1zit s VAL 76 N 0.73 4.04 -0.15 2.92 1.01 -1.26 0.47 120.40 128.16 1zit s VAL 76 Ca -0.04 -1.06 -0.13 0.00 0.00 0.00 0.00 61.98 60.75 1zit s VAL 76 Cb -0.05 -3.29 -0.09 0.00 0.00 0.00 0.00 36.38 32.95 1zit s VAL 76 CO -0.05 -0.21 0.04 0.40 0.00 0.00 0.00 175.10 175.28 1zit h ILE 77 N 6.08 0.41 -5.09 2.22 1.08 -1.76 1.08 117.51 121.52 1zit h ILE 77 Ca -0.24 -1.45 0.00 0.00 -0.39 0.00 0.00 64.86 62.79 1zit h ILE 77 Cb 1.09 0.91 -0.06 0.00 -3.07 0.00 0.00 36.82 35.68 1zit h ILE 77 CO 0.63 0.14 -0.98 0.52 -0.69 0.00 0.00 178.15 177.77 1zit n VAL 78 N -4.59 -9.28 -3.20 1.67 0.31 -1.26 -4.18 118.33 97.79 1zit n VAL 78 Ca -0.14 2.03 -0.08 0.00 -0.01 0.00 0.00 64.34 66.15 1zit n VAL 78 Cb 0.36 -5.10 0.02 0.00 -0.91 0.00 0.00 33.84 28.21 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 1.96 0.00 -1.45 2.52 5.41 -0.91 -3.51 119.36 123.37 1zit n ILE 79 Ca -0.20 -0.72 0.18 0.00 1.00 0.00 0.00 62.75 63.00 1zit n ILE 79 Cb 0.31 -0.68 -0.09 0.00 -0.71 0.00 0.00 39.64 38.47 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 -1.31 -0.75 -2.10 1.39 -2.24 -1.26 -4.09 114.28 103.93 1zit n THR 80 Ca 0.04 0.86 0.00 0.00 -2.27 0.00 0.00 64.05 62.67 1zit n THR 80 Cb 0.22 -1.34 0.00 0.00 -2.10 0.00 0.00 70.33 67.11 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 -4.35 4.47 1.18 3.38 0.00 -1.26 -4.83 105.19 103.79 1zit n GLY 81 Ca -0.08 -1.95 -0.06 0.00 0.00 0.00 0.00 46.02 43.92 1zit n GLY 81 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1zit n HIS 82 N 0.00 -0.19 0.00 1.61 -0.00 -1.26 -4.79 115.22 110.59 1zit n HIS 82 Ca 0.00 -0.62 0.00 0.00 0.46 0.00 0.00 57.72 57.56 1zit n HIS 82 Cb 0.00 0.57 0.00 0.00 -0.12 0.00 0.00 29.99 30.44 1zit n HIS 82 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1zit n GLY 83 N -0.13 1.43 2.20 1.57 0.00 -1.26 -4.79 105.19 104.21 1zit n GLY 83 Ca -0.26 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 44.85 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 6.26 -2.65 1.61 7.64 -1.26 -4.87 113.62 120.36 1zit n SER 84 Ca 0.00 -3.58 -0.07 0.00 1.01 0.00 0.00 58.87 56.23 1zit n SER 84 Cb 0.00 -0.93 -0.01 0.00 -1.01 0.00 0.00 64.21 62.26 1zit n SER 84 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1zit n VAL 85 N -0.77 -0.20 -0.05 0.44 0.24 -1.26 -4.80 118.33 111.93 1zit n VAL 85 Ca 0.56 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.75 1zit n VAL 85 Cb 0.94 -0.55 -0.09 0.00 -1.47 0.00 0.00 33.84 32.66 1zit n VAL 85 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1zit h ASP 86 N -0.10 -0.02 -1.20 -1.34 3.32 -1.91 -3.25 116.42 111.92 1zit h ASP 86 Ca -0.13 -0.67 0.34 0.00 0.02 0.00 0.00 57.03 56.60 1zit h ASP 86 Cb 1.09 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 40.57 1zit h ASP 86 CO 0.16 0.79 0.83 0.00 -1.72 0.00 0.00 179.24 179.31 1zit h THR 87 N -0.97 0.39 1.02 0.35 1.03 -1.92 0.46 112.91 113.27 1zit h THR 87 Ca -0.00 -0.04 -0.05 0.00 -0.01 0.00 0.00 66.41 66.31 1zit h THR 87 Cb 0.68 0.25 0.01 0.00 -1.07 0.00 0.00 68.15 68.03 1zit h THR 87 CO 0.00 0.02 -0.49 0.00 -0.01 0.00 0.00 175.52 175.05 1zit h ALA 88 N 1.47 -1.37 0.00 0.00 0.00 -1.91 0.81 119.26 118.25 1zit h ALA 88 Ca 0.62 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 1zit h ALA 88 Cb 2.16 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 20.48 1zit h ALA 88 CO -0.13 -1.27 -0.15 -0.39 0.00 0.00 0.00 179.25 177.31 1zit h VAL 89 N -1.36 0.57 0.00 0.00 -1.51 -0.90 0.58 116.25 113.63 1zit h VAL 89 Ca -0.14 -0.67 -0.01 0.00 -1.23 0.00 0.00 66.70 64.65 1zit h VAL 89 Cb 1.05 1.44 -0.00 0.00 -2.13 0.00 0.00 31.29 31.65 1zit h VAL 89 CO 0.23 0.14 -0.38 0.50 -1.23 0.00 0.00 177.57 176.83 1zit h LYS 90 N 0.00 0.00 0.00 5.19 3.64 0.14 -3.12 116.57 122.41 1zit h LYS 90 Ca -0.00 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.04 1zit h LYS 90 Cb 0.43 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.19 1zit h LYS 90 CO 0.02 0.02 -2.29 0.00 -2.27 0.00 0.00 179.45 174.93 1zit n ALA 91 N -2.14 1.52 0.19 5.00 0.00 0.28 -4.20 120.51 121.16 1zit n ALA 91 Ca 0.02 -0.99 0.05 0.00 0.00 0.00 0.00 53.44 52.52 1zit n ALA 91 Cb 0.55 -0.03 0.38 0.00 0.00 0.00 0.00 19.45 20.35 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 1.04 -0.03 0.00 3.07 -0.02 -2.80 117.51 118.77 1zit h ILE 92 Ca -0.50 -1.35 -0.16 0.00 1.55 0.00 0.00 64.86 64.40 1zit h ILE 92 Cb 1.81 1.77 -0.01 0.00 -0.27 0.00 0.00 36.82 40.12 1zit h ILE 92 CO -0.07 0.36 -0.69 0.11 -1.05 0.00 0.00 178.15 176.80 1zit h LYS 93 N 0.00 0.17 0.51 0.16 1.79 -1.73 -3.17 116.57 114.30 1zit h LYS 93 Ca -0.00 -0.14 -0.03 0.00 -2.18 0.00 0.00 60.65 58.30 1zit h LYS 93 Cb 0.75 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.43 1zit h LYS 93 CO 0.05 0.79 -0.25 -0.22 -1.08 0.00 0.00 179.45 178.74 1zit h LYS 94 N 0.11 -0.67 0.00 3.15 3.64 -1.66 -3.45 116.57 117.70 1zit h LYS 94 Ca -0.02 0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1zit h LYS 94 Cb 1.23 0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 33.17 1zit h LYS 94 CO 0.10 -0.44 -0.08 0.41 -2.27 0.00 0.00 179.45 177.17 1zit n GLY 95 N -1.34 -0.15 0.00 5.01 0.00 -1.21 -5.11 105.19 102.39 1zit n GLY 95 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.36 4.61 0.00 -1.20 -4.60 120.51 117.96 1zit n ALA 96 Ca -0.08 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.41 1zit n ALA 96 Cb 0.37 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.01 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 -1.08 0.31 0.00 0.00 9.36 0.37 -4.85 117.16 121.27 1zit n TYR 97 Ca 0.00 -1.31 0.00 0.00 3.32 0.00 0.00 57.90 59.91 1zit n TYR 97 Cb 0.00 -0.28 0.00 0.00 -0.63 0.00 0.00 39.34 38.43 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 -1.15 0.00 -2.52 2.98 0.28 -1.26 -4.87 120.64 114.10 1zit n GLU 98 Ca 0.21 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.79 1zit n GLU 98 Cb 0.77 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.61 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 -2.82 2.48 1.11 -1.84 0.40 -1.26 -4.64 117.98 111.41 1zit s PHE 99 Ca 0.00 0.40 -0.14 0.00 -0.60 0.00 0.00 56.93 56.59 1zit s PHE 99 Cb 0.00 -4.49 0.21 0.00 0.51 0.00 0.00 43.02 39.25 1zit s PHE 99 CO 0.00 -1.75 0.76 -0.11 0.70 0.00 0.00 175.22 174.82 1zit n LEU 100 N 8.87 -0.80 -4.73 -0.37 7.94 -1.23 -4.87 117.00 121.81 1zit n LEU 100 Ca 0.09 -0.02 -0.42 0.00 -1.11 0.00 0.00 56.01 54.55 1zit n LEU 100 Cb 0.49 -1.22 -0.02 0.00 0.53 0.00 0.00 43.42 43.19 1zit n LEU 100 CO 0.71 -3.11 1.31 -0.62 -1.11 0.00 0.00 177.39 174.58 1zit n GLU 101 N -3.96 2.73 -0.04 1.96 1.02 -1.26 -4.23 120.64 116.86 1zit n GLU 101 Ca 0.04 0.98 -0.17 0.00 -0.02 0.00 0.00 57.16 57.99 1zit n GLU 101 Cb 0.55 -2.79 -0.13 0.00 -0.02 0.00 0.00 31.44 29.05 1zit n GLU 101 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1zit h LYS 102 N 5.84 0.09 -2.25 3.49 1.57 -1.92 -3.37 116.57 120.02 1zit h LYS 102 Ca -0.45 -0.15 -0.41 0.00 -1.87 0.00 0.00 60.65 57.77 1zit h LYS 102 Cb 1.21 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 33.49 1zit h LYS 102 CO 0.88 1.07 0.88 -0.35 -0.57 0.00 0.00 179.45 181.36 1zit n PRO 103 N -4.44 2.69 -4.34 3.15 -0.04 -1.26 -4.83 135.00 125.92 1zit n PRO 103 Ca -0.14 -1.81 -0.18 0.00 -0.04 0.00 0.00 63.50 61.33 1zit n PRO 103 Cb 0.60 -2.25 -0.10 0.00 -0.04 0.00 0.00 33.50 31.71 1zit n PRO 103 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1zit s PHE 104 N 0.31 1.68 -0.07 0.54 2.19 -1.26 -5.09 117.98 116.28 1zit s PHE 104 Ca 0.64 -0.63 -0.01 0.00 0.33 0.00 0.00 56.93 57.26 1zit s PHE 104 Cb 0.30 -0.82 -0.00 0.00 -1.31 0.00 0.00 43.02 41.18 1zit s PHE 104 CO -0.08 0.29 -0.02 0.77 1.83 0.00 0.00 175.22 178.02 1zit h SER 105 N 2.55 0.00 0.00 6.13 0.02 -1.93 -3.49 113.55 116.82 1zit h SER 105 Ca -0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1zit h SER 105 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1zit h SER 105 CO 0.63 0.35 0.00 0.55 -1.14 0.00 0.00 176.83 177.22 1zit n VAL 106 N -3.79 0.00 -0.39 2.27 3.14 -1.26 -4.88 118.33 113.43 1zit n VAL 106 Ca -0.01 0.00 0.35 0.00 -2.96 0.00 0.00 64.34 61.73 1zit n VAL 106 Cb 0.03 0.00 0.63 0.00 -1.06 0.00 0.00 33.84 33.44 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 -0.25 -0.05 -0.08 1.45 2.13 -1.26 0.19 120.64 122.77 1zit n GLU 107 Ca 0.00 1.32 -0.14 0.00 0.66 0.00 0.00 57.16 59.00 1zit n GLU 107 Cb 0.00 -2.47 -0.03 0.00 0.27 0.00 0.00 31.44 29.21 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 0.88 -0.24 5.31 9.65 -1.98 -2.93 114.38 125.07 1zit h ARG 108 Ca 0.86 -0.54 0.07 0.00 -1.10 0.00 0.00 59.98 59.27 1zit h ARG 108 Cb 2.50 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 31.13 1zit h ARG 108 CO -0.64 1.18 0.20 0.35 2.80 0.00 0.00 179.97 183.86 1zit h PHE 109 N 0.68 0.00 -0.49 2.20 3.57 0.18 -2.22 116.94 120.86 1zit h PHE 109 Ca 0.02 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.61 1zit h PHE 109 Cb 1.13 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.79 1zit h PHE 109 CO 0.07 0.00 0.05 1.25 -2.23 0.00 0.00 178.31 177.45 1zit h LEU 110 N 0.00 -0.10 0.15 0.59 6.46 -1.21 -1.86 115.31 119.34 1zit h LEU 110 Ca 0.11 0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.97 1zit h LEU 110 Cb 0.50 0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.60 1zit h LEU 110 CO -0.00 -0.02 -0.07 -0.07 -0.62 0.00 0.00 178.44 177.66 1zit h LEU 111 N 0.17 -0.17 -1.74 2.25 4.07 -1.56 -1.89 115.31 116.45 1zit h LEU 111 Ca 0.24 -0.26 0.37 0.00 0.08 0.00 0.00 57.88 58.32 1zit h LEU 111 Cb 0.35 0.04 -0.08 0.00 1.08 0.00 0.00 40.66 42.06 1zit h LEU 111 CO -0.36 0.18 0.88 0.74 -1.08 0.00 0.00 178.44 178.80 1zit h THR 112 N -0.54 0.34 0.02 0.22 2.02 -1.45 0.31 112.91 113.84 1zit h THR 112 Ca -0.02 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 1zit h THR 112 Cb 0.42 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1zit h THR 112 CO 0.03 0.02 -0.01 0.40 0.37 0.00 0.00 175.52 176.33 1zit h ILE 113 N 0.11 0.00 0.00 3.11 1.08 -1.15 -2.65 117.51 118.01 1zit h ILE 113 Ca 0.66 -0.22 0.00 0.00 -0.39 0.00 0.00 64.86 64.91 1zit h ILE 113 Cb 2.31 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 36.06 1zit h ILE 113 CO -0.15 0.00 0.47 0.07 -0.69 0.00 0.00 178.15 177.85 1zit h LYS 114 N -0.25 0.00 0.00 2.37 5.09 -0.79 0.75 116.57 123.74 1zit h LYS 114 Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 60.65 60.51 1zit h LYS 114 Cb 0.02 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 32.31 1zit h LYS 114 CO 0.01 0.00 -1.51 1.25 -2.09 0.00 0.00 179.45 177.10 1zit h HIS 115 N 0.00 0.00 0.04 0.07 2.76 -0.50 -2.96 115.15 114.56 1zit h HIS 115 Ca 0.00 0.00 -0.24 0.00 -2.20 0.00 0.00 60.37 57.93 1zit h HIS 115 Cb 0.94 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.90 1zit h HIS 115 CO 0.00 0.78 -1.02 0.00 -1.30 0.00 0.00 177.93 176.39 1zit h ALA 116 N 1.22 0.30 0.10 5.26 0.00 0.87 -3.04 119.26 123.96 1zit h ALA 116 Ca -0.21 -0.76 -0.14 0.00 0.00 0.00 0.00 54.91 53.80 1zit h ALA 116 Cb 1.78 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.58 1zit h ALA 116 CO 0.06 0.86 -0.62 0.74 0.00 0.00 0.00 179.25 180.29 1zit h PHE 117 N 0.18 0.42 -0.25 0.00 -1.00 -1.45 -2.79 116.94 112.06 1zit h PHE 117 Ca -0.09 -0.30 0.05 0.00 2.81 0.00 0.00 57.97 60.43 1zit h PHE 117 Cb 1.68 -0.02 -0.05 0.00 3.61 0.00 0.00 35.95 41.17 1zit h PHE 117 CO 0.06 1.23 -0.08 0.93 -1.61 0.00 0.00 178.31 178.84 1zit h GLU 118 N -0.50 -0.03 0.00 1.51 5.08 -1.64 0.92 114.58 119.93 1zit h GLU 118 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1zit h GLU 118 Cb 1.48 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.73 1zit h GLU 118 CO 0.12 -0.02 0.00 0.39 -1.00 0.00 0.00 179.01 178.50 1zit n GLU 119 N -5.25 0.61 -2.76 2.33 -0.58 -1.15 -3.65 120.64 110.20 1zit n GLU 119 Ca -0.01 0.01 -0.04 0.00 -0.42 0.00 0.00 57.16 56.70 1zit n GLU 119 Cb 0.17 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.58 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 -1.18 0.97 1.32 -0.32 9.36 -0.06 -5.07 117.16 122.17 1zit n TYR 120 Ca 0.17 -2.38 0.13 0.00 3.32 0.00 0.00 57.90 59.14 1zit n TYR 120 Cb 0.19 -0.16 0.37 0.00 -0.63 0.00 0.00 39.34 39.11 1zit n TYR 120 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53