#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 1.14 -0.21 2.12 -0.14 -1.26 -5.00 119.74 116.39 1zit s LYS 2 Ca 0.00 -1.72 -0.04 0.00 -1.36 0.00 0.00 55.97 52.86 1zit s LYS 2 Cb 0.00 -2.33 0.10 0.00 -1.68 0.00 0.00 37.83 33.92 1zit s LYS 2 CO 0.00 -1.09 0.24 1.03 -0.76 0.00 0.00 175.35 174.78 1zit s ARG 3 N 0.78 0.21 0.13 1.68 3.00 -1.26 -1.55 118.95 121.94 1zit s ARG 3 Ca 0.15 0.25 -0.06 0.00 0.00 0.00 0.00 55.73 56.07 1zit s ARG 3 Cb -0.22 -1.10 -0.06 0.00 0.00 0.00 0.00 34.95 33.58 1zit s ARG 3 CO -0.08 -0.65 0.38 0.08 0.00 0.00 0.00 175.30 175.03 1zit s VAL 4 N 2.35 5.16 -0.09 3.52 1.01 -1.06 -3.67 120.40 127.62 1zit s VAL 4 Ca 0.08 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1zit s VAL 4 Cb -0.16 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 1zit s VAL 4 CO -0.12 0.08 -0.08 -0.22 0.00 0.00 0.00 175.10 174.75 1zit s LEU 5 N -2.52 3.05 -0.04 3.92 2.96 0.17 -1.55 118.68 124.67 1zit s LEU 5 Ca 0.39 -0.11 0.06 0.00 -0.22 0.00 0.00 54.13 54.26 1zit s LEU 5 Cb -0.12 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 1zit s LEU 5 CO 0.23 0.30 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.65 1zit s VAL 6 N -0.46 2.34 -0.15 1.68 1.01 0.31 0.13 120.40 125.27 1zit s VAL 6 Ca 0.06 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 1zit s VAL 6 Cb -0.12 -1.86 0.04 0.00 0.00 0.00 0.00 36.38 34.44 1zit s VAL 6 CO 0.02 0.58 -0.05 -0.69 0.00 0.00 0.00 175.10 174.96 1zit s VAL 7 N -0.48 1.05 -0.21 2.92 1.01 0.14 0.20 120.40 125.03 1zit s VAL 7 Ca 0.06 -0.54 -0.16 0.00 0.00 0.00 0.00 61.98 61.34 1zit s VAL 7 Cb -0.11 -1.21 0.06 0.00 0.00 0.00 0.00 36.38 35.12 1zit s VAL 7 CO 0.01 0.16 0.54 -0.62 0.00 0.00 0.00 175.10 175.19 1zit s ASP 8 N 1.67 -0.64 -0.51 3.32 -1.08 -1.24 0.43 116.67 118.62 1zit s ASP 8 Ca 0.01 1.13 -0.04 0.00 -0.52 0.00 0.00 52.55 53.14 1zit s ASP 8 Cb -0.15 1.08 0.10 0.00 -1.46 0.00 0.00 42.92 42.49 1zit s ASP 8 CO -0.08 -0.20 2.67 -0.67 0.52 0.00 0.00 175.17 177.41 1zit n ASP 9 N 3.53 6.62 -0.12 -0.34 2.03 -1.24 -3.89 116.55 123.14 1zit n ASP 9 Ca -0.18 -3.30 -0.21 0.00 0.52 0.00 0.00 54.79 51.63 1zit n ASP 9 Cb 0.57 -1.21 -0.09 0.00 -0.72 0.00 0.00 41.12 39.66 1zit n ASP 9 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1zit n GLU 10 N 0.68 0.53 0.00 -0.67 0.28 -1.26 -4.54 120.64 115.66 1zit n GLU 10 Ca 0.50 0.18 0.00 0.00 -0.16 0.00 0.00 57.16 57.68 1zit n GLU 10 Cb 0.51 -1.39 0.00 0.00 1.43 0.00 0.00 31.44 31.99 1zit n GLU 10 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1zit n GLU 11 N -3.66 0.00 0.00 3.44 0.28 -1.26 -5.08 120.64 114.35 1zit n GLU 11 Ca -0.44 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.56 1zit n GLU 11 Cb 0.87 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.74 1zit n GLU 11 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1zit n SER 12 N 0.00 0.00 -4.94 -1.84 3.41 -1.26 -4.83 113.62 104.16 1zit n SER 12 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.40 1zit n SER 12 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1zit n SER 12 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1zit s ILE 13 N 0.00 4.87 -0.01 -1.33 -1.09 -1.26 -4.47 121.20 117.91 1zit s ILE 13 Ca 0.00 -1.08 -0.19 0.00 -2.23 0.00 0.00 60.65 57.16 1zit s ILE 13 Cb 0.00 -3.68 -0.06 0.00 -1.58 0.00 0.00 42.46 37.14 1zit s ILE 13 CO 0.00 -0.30 0.53 0.42 -1.23 0.00 0.00 174.94 174.36 1zit s THR 14 N -2.05 4.95 0.14 2.92 -4.23 -1.26 -5.00 115.64 111.11 1zit s THR 14 Ca 0.36 1.10 -0.34 0.00 -1.18 0.00 0.00 61.69 61.62 1zit s THR 14 Cb -0.09 -3.86 -0.15 0.00 1.34 0.00 0.00 72.50 69.74 1zit s THR 14 CO 0.29 0.47 1.38 -1.20 -0.54 0.00 0.00 174.62 175.01 1zit n SER 15 N 2.48 2.13 0.00 3.99 7.64 -1.26 -1.45 113.62 127.15 1zit n SER 15 Ca -0.09 1.12 0.00 0.00 1.01 0.00 0.00 58.87 60.90 1zit n SER 15 Cb 0.51 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 1zit n SER 15 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1zit n SER 16 N 2.62 0.00 0.33 6.43 7.64 -1.26 -4.85 113.62 124.53 1zit n SER 16 Ca 0.16 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.88 1zit n SER 16 Cb 0.24 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.36 1zit n SER 16 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1zit h LEU 17 N 0.00 -1.07 -0.32 -3.43 6.46 -1.57 -1.09 115.31 114.29 1zit h LEU 17 Ca 0.00 0.07 0.03 0.00 -0.12 0.00 0.00 57.88 57.86 1zit h LEU 17 Cb 0.00 0.32 -0.05 0.00 -0.73 0.00 0.00 40.66 40.21 1zit h LEU 17 CO 0.00 -0.61 -0.29 -1.28 -0.62 0.00 0.00 178.44 175.65 1zit h SER 18 N -0.96 -1.00 -1.00 1.25 0.87 -1.89 0.52 113.55 111.34 1zit h SER 18 Ca -0.08 0.14 0.22 0.00 -1.23 0.00 0.00 61.79 60.84 1zit h SER 18 Cb 0.78 0.42 -0.12 0.00 -0.44 0.00 0.00 62.40 63.05 1zit h SER 18 CO 0.05 -0.17 0.60 0.00 -0.53 0.00 0.00 176.83 176.78 1zit h ALA 19 N -0.50 1.74 -0.02 6.23 0.00 -1.91 0.33 119.26 125.14 1zit h ALA 19 Ca 0.05 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1zit h ALA 19 Cb 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1zit h ALA 19 CO -0.37 -0.16 0.00 -0.89 0.00 0.00 0.00 179.25 177.83 1zit n ILE 20 N -4.82 0.00 -0.33 0.00 5.41 0.23 -2.51 119.36 117.35 1zit n ILE 20 Ca 0.25 1.11 0.35 0.00 1.00 0.00 0.00 62.75 65.47 1zit n ILE 20 Cb 0.66 -2.11 0.75 0.00 -0.71 0.00 0.00 39.64 38.23 1zit n ILE 20 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1zit h LEU 21 N 0.00 0.01 -1.61 1.39 3.38 0.08 1.55 115.31 120.11 1zit h LEU 21 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1zit h LEU 21 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1zit h LEU 21 CO 0.00 0.00 -0.19 -0.33 0.09 0.00 0.00 178.44 178.01 1zit h GLU 22 N 0.01 0.00 0.14 1.13 5.08 -0.30 -2.30 114.58 118.34 1zit h GLU 22 Ca 0.57 -0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.63 1zit h GLU 22 Cb 2.27 -0.00 0.03 0.00 0.50 0.00 0.00 28.75 31.54 1zit h GLU 22 CO -0.01 0.19 -1.27 1.49 -1.00 0.00 0.00 179.01 178.41 1zit h GLU 23 N 0.00 0.59 0.00 2.33 4.81 0.25 -3.46 114.58 119.10 1zit h GLU 23 Ca -0.00 -0.82 -0.19 0.00 -0.13 0.00 0.00 59.36 58.23 1zit h GLU 23 Cb 0.34 0.28 0.08 0.00 0.63 0.00 0.00 28.75 30.07 1zit h GLU 23 CO 0.02 1.37 0.17 0.39 -0.73 0.00 0.00 179.01 180.24 1zit n GLU 24 N -3.76 -0.67 -1.96 1.92 -0.58 -0.86 -5.00 120.64 109.72 1zit n GLU 24 Ca -0.14 -0.88 -0.28 0.00 -0.42 0.00 0.00 57.16 55.44 1zit n GLU 24 Cb 1.00 -0.60 0.03 0.00 -0.57 0.00 0.00 31.44 31.30 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 1.08 6.15 4.03 0.62 0.00 -1.26 -4.93 105.19 110.88 1zit n GLY 25 Ca 0.07 -2.60 -0.20 0.00 0.00 0.00 0.00 46.02 43.29 1zit n GLY 25 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1zit s TYR 26 N -3.67 1.36 -0.52 1.61 2.02 -1.26 -4.87 117.35 112.02 1zit s TYR 26 Ca 0.53 -0.75 0.03 0.00 -0.37 0.00 0.00 57.07 56.52 1zit s TYR 26 Cb 0.43 -2.18 0.15 0.00 -0.40 0.00 0.00 41.96 39.96 1zit s TYR 26 CO -0.05 -1.13 0.33 -1.58 -1.57 0.00 0.00 175.55 171.54 1zit s HIS 27 N -2.69 2.44 -0.06 2.71 2.46 -0.60 -4.96 115.29 114.60 1zit s HIS 27 Ca 0.60 -2.76 -0.30 0.00 0.47 0.00 0.00 55.06 53.07 1zit s HIS 27 Cb -0.05 -2.09 -0.02 0.00 -0.13 0.00 0.00 32.58 30.29 1zit s HIS 27 CO 0.38 -0.72 1.00 -1.25 -2.47 0.00 0.00 174.74 171.67 1zit s PRO 28 N -0.27 4.49 -0.21 2.88 0.04 -1.25 -2.56 135.00 138.12 1zit s PRO 28 Ca 0.22 1.41 0.01 0.00 0.04 0.00 0.00 61.00 62.67 1zit s PRO 28 Cb -0.15 -3.50 0.03 0.00 0.04 0.00 0.00 34.50 30.91 1zit s PRO 28 CO -0.07 -0.19 -0.16 0.34 0.04 0.00 0.00 177.00 176.95 1zit s ASP 29 N 1.06 3.59 -0.04 6.66 -1.08 -0.59 -4.98 116.67 121.28 1zit s ASP 29 Ca 0.50 -0.83 -0.02 0.00 -0.52 0.00 0.00 52.55 51.69 1zit s ASP 29 Cb -0.20 -1.53 -0.04 0.00 -1.46 0.00 0.00 42.92 39.70 1zit s ASP 29 CO 0.23 -0.06 0.08 0.42 0.52 0.00 0.00 175.17 176.36 1zit s THR 30 N 1.26 4.79 0.00 1.71 -4.23 -1.26 0.12 115.64 118.03 1zit s THR 30 Ca 0.01 -0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.26 1zit s THR 30 Cb -0.15 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.56 1zit s THR 30 CO -0.10 0.45 0.00 0.00 -0.54 0.00 0.00 174.62 174.43 1zit n ALA 31 N 1.53 0.00 -0.19 3.99 0.00 0.13 -4.94 120.51 121.04 1zit n ALA 31 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1zit n ALA 31 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 -0.17 1.95 -3.82 0.00 5.02 -1.25 -3.64 118.16 116.25 1zit n LYS 32 Ca 0.00 -0.08 -0.01 0.00 -2.02 0.00 0.00 58.31 56.20 1zit n LYS 32 Cb 0.00 -0.40 0.01 0.00 -0.02 0.00 0.00 35.03 34.61 1zit n LYS 32 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1zit s THR 33 N -0.30 0.00 0.33 -0.18 -1.32 -1.26 -3.70 115.64 109.21 1zit s THR 33 Ca 0.00 -0.46 0.07 0.00 -1.21 0.00 0.00 61.69 60.08 1zit s THR 33 Cb 0.00 -2.51 0.11 0.00 -1.51 0.00 0.00 72.50 68.58 1zit s THR 33 CO 0.00 0.00 1.81 -0.07 -2.21 0.00 0.00 174.62 174.15 1zit h LEU 34 N 2.00 0.32 -0.36 9.08 3.38 -1.98 -0.20 115.31 127.54 1zit h LEU 34 Ca -0.26 -0.09 -0.16 0.00 0.09 0.00 0.00 57.88 57.45 1zit h LEU 34 Cb 1.21 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1zit h LEU 34 CO 0.31 0.55 -0.41 0.03 0.09 0.00 0.00 178.44 179.00 1zit h ARG 35 N 0.30 0.92 -0.31 1.13 3.08 -1.99 0.16 114.38 117.67 1zit h ARG 35 Ca 0.05 -0.50 -0.11 0.00 0.07 0.00 0.00 59.98 59.48 1zit h ARG 35 Cb 0.55 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1zit h ARG 35 CO 0.04 1.16 -0.28 0.93 -1.07 0.00 0.00 179.97 180.74 1zit h GLU 36 N 0.73 0.63 0.01 0.04 4.39 -1.84 -2.71 114.58 115.82 1zit h GLU 36 Ca 0.05 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.49 1zit h GLU 36 Cb 1.01 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 1zit h GLU 36 CO 0.10 0.84 -0.00 0.00 -1.16 0.00 0.00 179.01 178.79 1zit h ALA 37 N 1.15 -0.01 -0.79 3.43 0.00 -0.92 -2.78 119.26 119.34 1zit h ALA 37 Ca 0.07 -0.33 0.19 0.00 0.00 0.00 0.00 54.91 54.83 1zit h ALA 37 Cb 0.76 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.43 1zit h ALA 37 CO 0.06 -0.17 0.15 1.49 0.00 0.00 0.00 179.25 180.78 1zit h GLU 38 N -0.69 0.20 0.36 0.00 4.81 -0.68 0.66 114.58 119.24 1zit h GLU 38 Ca -0.00 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1zit h GLU 38 Cb 0.67 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1zit h GLU 38 CO 0.00 0.13 -0.19 -0.22 -0.73 0.00 0.00 179.01 178.01 1zit h LYS 39 N 0.20 -0.48 -0.09 1.92 3.11 -1.53 1.36 116.57 121.06 1zit h LYS 39 Ca 0.46 0.03 0.03 0.00 -2.81 0.00 0.00 60.65 58.36 1zit h LYS 39 Cb 0.84 0.11 -0.00 0.00 -1.00 0.00 0.00 32.23 32.18 1zit h LYS 39 CO -0.60 -0.32 0.12 0.87 -2.81 0.00 0.00 179.45 176.71 1zit h LYS 40 N -0.50 0.00 0.00 1.90 1.79 -0.51 0.39 116.57 119.64 1zit h LYS 40 Ca -0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1zit h LYS 40 Cb 0.40 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1zit h LYS 40 CO 0.07 0.00 -1.09 -0.89 -1.08 0.00 0.00 179.45 176.46 1zit n ILE 41 N -3.69 0.02 0.64 1.86 5.41 0.21 -2.54 119.36 121.27 1zit n ILE 41 Ca -0.01 -0.09 0.09 0.00 1.00 0.00 0.00 62.75 63.75 1zit n ILE 41 Cb 0.22 0.72 0.41 0.00 -0.71 0.00 0.00 39.64 40.29 1zit n ILE 41 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1zit n LYS 42 N -1.65 0.02 0.00 0.38 5.02 0.46 -4.20 118.16 118.19 1zit n LYS 42 Ca 0.03 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1zit n LYS 42 Cb 0.37 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1zit n LYS 42 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1zit n GLU 43 N -1.57 0.00 -2.39 1.97 1.02 -1.23 -5.04 120.64 113.40 1zit n GLU 43 Ca 0.04 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.76 1zit n GLU 43 Cb 0.23 -0.29 -0.02 0.00 -0.02 0.00 0.00 31.44 31.34 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 -4.56 3.97 -1.03 -4.62 1.98 -1.05 -4.90 118.68 108.48 1zit s LEU 44 Ca 0.00 1.39 -0.12 0.00 -2.89 0.00 0.00 54.13 52.51 1zit s LEU 44 Cb 0.00 -3.54 -0.08 0.00 0.66 0.00 0.00 46.19 43.23 1zit s LEU 44 CO 0.00 -1.00 2.18 0.33 -1.89 0.00 0.00 176.35 175.97 1zit n PHE 45 N 7.39 1.92 -1.66 5.38 7.35 -1.26 -4.45 117.46 132.12 1zit n PHE 45 Ca 0.15 -2.18 -0.44 0.00 -0.76 0.00 0.00 57.45 54.21 1zit n PHE 45 Cb 0.46 -1.89 -0.04 0.00 0.35 0.00 0.00 39.48 38.36 1zit n PHE 45 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1zit n PHE 46 N 5.37 2.40 -0.07 -5.13 3.72 -1.26 -4.89 117.46 117.60 1zit n PHE 46 Ca 0.51 -0.23 -0.13 0.00 -0.05 0.00 0.00 57.45 57.56 1zit n PHE 46 Cb 0.26 -2.75 -0.06 0.00 -0.94 0.00 0.00 39.48 35.99 1zit n PHE 46 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1zit h PRO 47 N 10.49 0.48 -5.19 -1.08 0.13 -1.91 -3.44 132.00 131.48 1zit h PRO 47 Ca -0.48 -0.23 -0.67 0.00 -0.87 0.00 0.00 66.00 63.74 1zit h PRO 47 Cb 1.25 -0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.06 1zit h PRO 47 CO 0.95 0.79 -0.84 0.08 -0.23 0.00 0.00 178.00 178.74 1zit s VAL 48 N -4.44 2.30 -0.17 1.56 1.01 -1.24 0.14 120.40 119.56 1zit s VAL 48 Ca -0.14 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 60.91 1zit s VAL 48 Cb 0.07 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1zit s VAL 48 CO 0.77 0.54 -0.03 -0.63 0.00 0.00 0.00 175.10 175.75 1zit s ILE 49 N 0.83 3.85 -0.30 2.22 -1.09 0.02 0.46 121.20 127.20 1zit s ILE 49 Ca -0.06 -0.37 0.02 0.00 -2.23 0.00 0.00 60.65 58.02 1zit s ILE 49 Cb -0.15 -2.70 0.08 0.00 -1.58 0.00 0.00 42.46 38.11 1zit s ILE 49 CO -0.01 0.48 0.00 -0.69 -1.23 0.00 0.00 174.94 173.49 1zit s VAL 50 N 0.55 1.89 -1.07 2.92 1.01 0.35 -1.01 120.40 125.04 1zit s VAL 50 Ca -0.03 -1.83 -0.14 0.00 0.00 0.00 0.00 61.98 59.99 1zit s VAL 50 Cb -0.14 -2.26 0.19 0.00 0.00 0.00 0.00 36.38 34.16 1zit s VAL 50 CO 0.03 -0.39 1.21 -0.22 0.00 0.00 0.00 175.10 175.72 1zit s LEU 51 N 1.15 5.52 -1.09 3.92 2.96 -1.26 0.29 118.68 130.17 1zit s LEU 51 Ca 0.03 -2.84 -0.21 0.00 -0.22 0.00 0.00 54.13 50.90 1zit s LEU 51 Cb -0.19 -2.34 -0.07 0.00 0.50 0.00 0.00 46.19 44.09 1zit s LEU 51 CO -0.10 -0.71 1.93 -0.67 -1.32 0.00 0.00 176.35 175.48 1zit n ASP 52 N 5.08 3.26 -4.50 3.68 2.03 0.17 -3.57 116.55 122.71 1zit n ASP 52 Ca 0.28 -2.74 -0.13 0.00 0.52 0.00 0.00 54.79 52.72 1zit n ASP 52 Cb 0.44 -1.53 -0.10 0.00 -0.72 0.00 0.00 41.12 39.22 1zit n ASP 52 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1zit n VAL 53 N 6.72 0.00 0.00 5.18 3.14 -1.25 -4.30 118.33 127.82 1zit n VAL 53 Ca 0.48 -0.31 0.00 0.00 -2.96 0.00 0.00 64.34 61.55 1zit n VAL 53 Cb 0.44 -1.54 0.00 0.00 -1.06 0.00 0.00 33.84 31.68 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 16.13 0.00 -2.69 1.45 -0.00 -1.26 -3.20 117.44 127.87 1zit n TRP 54 Ca 0.42 0.00 -0.07 0.00 -0.00 0.00 0.00 57.50 57.84 1zit n TRP 54 Cb 0.42 0.00 0.04 0.00 -0.00 0.00 0.00 31.31 31.77 1zit n TRP 54 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1zit n MET 55 N -0.57 1.23 0.00 5.87 0.00 -1.26 -4.88 117.12 117.50 1zit n MET 55 Ca 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 57.70 54.57 1zit n MET 55 Cb 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 33.22 32.06 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 -0.20 -0.12 -1.56 3.17 -0.04 -1.26 -4.85 135.00 130.13 1zit n PRO 56 Ca 0.07 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.57 1zit n PRO 56 Cb 0.82 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.32 1zit n PRO 56 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1zit n ASP 57 N -2.46 1.20 -4.27 3.54 8.00 -1.26 -5.08 116.55 116.21 1zit n ASP 57 Ca 0.00 -2.23 -0.25 0.00 0.71 0.00 0.00 54.79 53.02 1zit n ASP 57 Cb 0.00 -0.34 -0.09 0.00 -0.02 0.00 0.00 41.12 40.67 1zit n ASP 57 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1zit s GLY 58 N -2.36 2.46 -0.70 0.44 0.00 -1.26 -5.10 107.32 100.80 1zit s GLY 58 Ca 0.34 -1.44 -0.13 0.00 0.00 0.00 0.00 44.72 43.49 1zit s GLY 58 CO -0.14 -1.85 0.62 0.99 0.00 0.00 0.00 173.10 172.72 1zit s ASP 59 N -3.58 6.33 0.56 1.64 1.11 -1.26 -4.90 116.67 116.57 1zit s ASP 59 Ca 0.27 -2.41 0.29 0.00 0.18 0.00 0.00 52.55 50.88 1zit s ASP 59 Cb 0.05 -2.15 1.67 0.00 1.07 0.00 0.00 42.92 43.56 1zit s ASP 59 CO 0.14 -0.63 2.18 1.23 1.18 0.00 0.00 175.17 179.27 1zit h GLY 60 N 8.04 0.00 0.39 0.21 0.00 -1.99 -2.70 103.07 107.02 1zit h GLY 60 Ca -0.04 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.40 1zit h GLY 60 CO 0.83 0.00 0.38 -2.08 0.00 0.00 0.00 176.54 175.67 1zit h VAL 61 N 0.00 0.81 -0.03 4.60 2.07 -1.91 0.20 116.25 121.99 1zit h VAL 61 Ca -0.00 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1zit h VAL 61 Cb 0.13 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1zit h VAL 61 CO 0.01 0.11 0.00 -3.20 0.02 0.00 0.00 177.57 174.51 1zit n ASN 62 N -4.87 0.45 -0.03 0.57 4.05 -1.02 -3.70 115.26 110.71 1zit n ASN 62 Ca 0.13 -1.38 -0.22 0.00 0.45 0.00 0.00 54.58 53.57 1zit n ASN 62 Cb 0.32 -0.02 -0.13 0.00 1.23 0.00 0.00 39.78 41.18 1zit n ASN 62 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 177.26 174.36 1zit h PHE 63 N 0.63 0.34 -1.29 1.20 3.57 -0.66 -3.37 116.94 117.37 1zit h PHE 63 Ca 0.00 -0.25 0.37 0.00 3.53 0.00 0.00 57.97 61.63 1zit h PHE 63 Cb 0.14 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 1zit h PHE 63 CO 0.02 1.69 1.02 0.82 -2.23 0.00 0.00 178.31 179.63 1zit h ILE 64 N -0.27 0.24 0.30 1.41 5.03 -1.58 0.23 117.51 122.86 1zit h ILE 64 Ca -0.40 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.33 1zit h ILE 64 Cb 1.80 0.27 0.00 0.00 -3.03 0.00 0.00 36.82 35.86 1zit h ILE 64 CO -0.01 0.00 -0.14 -0.78 -0.68 0.00 0.00 178.15 176.54 1zit h ASP 65 N 0.00 -0.34 -1.04 1.72 1.82 -1.78 -2.97 116.42 113.83 1zit h ASP 65 Ca 0.61 -0.19 0.27 0.00 -0.39 0.00 0.00 57.03 57.33 1zit h ASP 65 Cb 2.64 0.09 -0.11 0.00 0.68 0.00 0.00 39.33 42.63 1zit h ASP 65 CO -0.01 0.12 0.65 0.15 -1.61 0.00 0.00 179.24 178.54 1zit h PHE 66 N -0.92 0.78 -0.34 0.28 3.04 -1.14 0.84 116.94 119.48 1zit h PHE 66 Ca -0.04 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 1zit h PHE 66 Cb 0.51 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 38.78 1zit h PHE 66 CO 0.04 0.05 0.21 0.82 -2.02 0.00 0.00 178.31 177.41 1zit h ILE 67 N 0.45 1.11 0.00 1.41 5.03 -1.46 -1.42 117.51 122.63 1zit h ILE 67 Ca 0.62 -0.26 -0.03 0.00 -0.12 0.00 0.00 64.86 65.08 1zit h ILE 67 Cb 1.45 0.67 -0.00 0.00 -3.03 0.00 0.00 36.82 35.90 1zit h ILE 67 CO -0.36 0.11 -0.12 0.11 -0.68 0.00 0.00 178.15 177.20 1zit h LYS 68 N 0.45 0.00 0.04 2.37 1.79 -0.32 0.43 116.57 121.33 1zit h LYS 68 Ca 0.12 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1zit h LYS 68 Cb -0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1zit h LYS 68 CO -0.02 0.12 -0.02 1.49 -1.08 0.00 0.00 179.45 179.94 1zit h GLU 69 N 0.00 -0.06 -0.29 3.15 4.81 0.13 -3.08 114.58 119.24 1zit h GLU 69 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1zit h GLU 69 Cb 0.96 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.35 1zit h GLU 69 CO 0.02 0.24 0.00 0.09 -0.73 0.00 0.00 179.01 178.62 1zit n ASN 70 N -4.98 3.08 -2.78 1.04 3.02 -0.61 -4.73 115.26 109.31 1zit n ASN 70 Ca -0.08 -2.27 -0.09 0.00 -0.03 0.00 0.00 54.58 52.11 1zit n ASN 70 Cb 0.17 -0.29 0.05 0.00 -0.61 0.00 0.00 39.78 39.11 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 0.16 -2.49 0.18 6.41 7.64 0.15 -4.98 113.62 120.70 1zit n SER 71 Ca 0.13 -3.39 0.14 0.00 1.01 0.00 0.00 58.87 56.76 1zit n SER 71 Cb 0.53 1.68 0.51 0.00 -1.01 0.00 0.00 64.21 65.92 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 3.67 0.00 -0.81 1.43 0.11 -1.65 -2.92 132.00 131.83 1zit h PRO 72 Ca -0.12 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.61 1zit h PRO 72 Cb 1.04 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 31.93 1zit h PRO 72 CO 0.28 0.00 0.42 -3.47 -0.21 0.00 0.00 178.00 175.02 1zit n ASP 73 N -2.61 3.77 -4.33 -2.05 2.03 -1.26 -4.96 116.55 107.14 1zit n ASP 73 Ca 0.02 -3.54 -0.23 0.00 0.52 0.00 0.00 54.79 51.56 1zit n ASP 73 Cb 0.32 -0.78 -0.01 0.00 -0.72 0.00 0.00 41.12 39.93 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 -0.91 2.62 -4.53 1.67 2.88 -1.10 -4.90 113.62 109.35 1zit n SER 74 Ca 0.50 -2.63 -0.25 0.00 -1.33 0.00 0.00 58.87 55.16 1zit n SER 74 Cb 1.48 0.04 -0.10 0.00 -0.75 0.00 0.00 64.21 64.88 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 -2.32 2.41 -0.41 2.46 1.01 0.37 -4.96 120.40 118.95 1zit s VAL 75 Ca 0.20 -2.25 0.03 0.00 0.00 0.00 0.00 61.98 59.96 1zit s VAL 75 Cb -0.02 -2.54 0.16 0.00 0.00 0.00 0.00 36.38 33.98 1zit s VAL 75 CO 0.13 -0.28 0.30 -0.69 0.00 0.00 0.00 175.10 174.56 1zit s VAL 76 N -2.55 0.52 -0.49 2.92 1.01 -1.26 -0.79 120.40 119.75 1zit s VAL 76 Ca 0.32 -2.46 -0.03 0.00 0.00 0.00 0.00 61.98 59.80 1zit s VAL 76 Cb -0.01 -1.37 0.12 0.00 0.00 0.00 0.00 36.38 35.12 1zit s VAL 76 CO 0.16 -1.12 2.61 -0.38 0.00 0.00 0.00 175.10 176.37 1zit n ILE 77 N 3.20 3.31 -1.72 2.22 2.08 -0.18 -0.44 119.36 127.84 1zit n ILE 77 Ca 0.22 -3.02 -0.43 0.00 0.56 0.00 0.00 62.75 60.08 1zit n ILE 77 Cb 0.43 -1.52 -0.02 0.00 -0.75 0.00 0.00 39.64 37.78 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 0.63 1.26 -1.80 1.39 0.31 -1.26 -4.53 118.33 114.34 1zit n VAL 78 Ca 0.48 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 1zit n VAL 78 Cb 0.52 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 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 1.59 0.00 -3.65 2.52 5.41 -1.23 -2.66 119.36 121.34 1zit n ILE 79 Ca 0.08 0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.88 1zit n ILE 79 Cb 0.35 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.27 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 0.00 -0.49 1.39 -1.04 -1.26 -3.93 114.28 108.95 1zit n THR 80 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1zit n THR 80 Cb 0.00 -0.11 0.00 0.00 -1.82 0.00 0.00 70.33 68.40 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 -0.97 -0.98 3.85 3.41 0.00 -1.19 -4.87 105.19 104.43 1zit n GLY 81 Ca 0.00 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 1zit n GLY 81 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1zit s HIS 82 N 0.00 2.04 0.00 1.61 2.46 -1.26 -4.91 115.29 115.23 1zit s HIS 82 Ca 0.00 0.58 0.00 0.00 0.47 0.00 0.00 55.06 56.11 1zit s HIS 82 Cb 0.00 -3.70 0.00 0.00 -0.13 0.00 0.00 32.58 28.75 1zit s HIS 82 CO 0.00 -2.50 0.00 0.41 -2.47 0.00 0.00 174.74 170.18 1zit n GLY 83 N -2.94 -1.50 3.49 1.59 0.00 -1.26 -4.91 105.19 99.65 1zit n GLY 83 Ca 0.11 -1.38 -0.28 0.00 0.00 0.00 0.00 46.02 44.47 1zit n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1zit s SER 84 N -4.00 0.92 -1.24 1.61 0.01 -1.26 -4.90 113.70 104.84 1zit s SER 84 Ca 0.00 1.47 -0.05 0.00 1.31 0.00 0.00 55.95 58.67 1zit s SER 84 Cb 0.00 -2.26 0.18 0.00 0.21 0.00 0.00 66.02 64.15 1zit s SER 84 CO 0.00 -4.23 2.09 0.52 0.41 0.00 0.00 173.24 172.02 1zit n VAL 85 N -4.93 5.19 -0.04 3.43 0.31 -1.26 -4.41 118.33 116.62 1zit n VAL 85 Ca 0.03 -4.78 -0.01 0.00 -0.01 0.00 0.00 64.34 59.57 1zit n VAL 85 Cb 0.55 -2.05 -0.09 0.00 -0.91 0.00 0.00 33.84 31.33 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 1.89 2.38 0.09 4.52 5.75 -1.26 -4.34 116.55 125.59 1zit n ASP 86 Ca 0.51 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 55.23 1zit n ASP 86 Cb 0.28 1.03 0.05 0.00 -1.03 0.00 0.00 41.12 41.46 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 1.46 0.92 2.12 1.03 -1.93 -2.60 112.91 113.91 1zit h THR 87 Ca -0.19 -2.37 -0.04 0.00 -0.01 0.00 0.00 66.41 63.80 1zit h THR 87 Cb 1.26 2.28 0.01 0.00 -1.07 0.00 0.00 68.15 70.62 1zit h THR 87 CO 0.01 0.69 -0.45 0.00 -0.01 0.00 0.00 175.52 175.76 1zit h ALA 88 N 1.10 -1.25 -0.03 0.00 0.00 -1.89 -2.20 119.26 114.99 1zit h ALA 88 Ca -0.02 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1zit h ALA 88 Cb 1.32 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 19.61 1zit h ALA 88 CO 0.11 -1.21 0.04 -0.39 0.00 0.00 0.00 179.25 177.81 1zit h VAL 89 N -1.25 0.33 -0.57 0.00 -1.51 -1.75 -0.23 116.25 111.27 1zit h VAL 89 Ca -0.13 0.00 -0.37 0.00 -1.23 0.00 0.00 66.70 64.97 1zit h VAL 89 Cb 0.96 0.96 -0.16 0.00 -2.13 0.00 0.00 31.29 30.93 1zit h VAL 89 CO 0.20 0.00 0.47 1.17 -1.23 0.00 0.00 177.57 178.18 1zit n LYS 90 N -3.56 1.94 0.00 5.19 4.81 -0.83 -3.46 118.16 122.25 1zit n LYS 90 Ca -0.02 -1.80 0.00 0.00 -0.87 0.00 0.00 58.31 55.62 1zit n LYS 90 Cb 0.13 -1.72 0.00 0.00 0.02 0.00 0.00 35.03 33.46 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 0.24 0.00 0.12 3.14 0.00 -0.71 -4.46 120.51 118.84 1zit n ALA 91 Ca 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.77 1zit n ALA 91 Cb 0.58 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.11 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 1.37 -0.06 0.00 3.07 -1.21 -3.14 117.51 117.55 1zit h ILE 92 Ca 0.00 -2.51 -0.11 0.00 1.55 0.00 0.00 64.86 63.79 1zit h ILE 92 Cb 0.00 2.40 -0.01 0.00 -0.27 0.00 0.00 36.82 38.94 1zit h ILE 92 CO 0.00 0.69 -0.46 0.50 -1.05 0.00 0.00 178.15 177.83 1zit h LYS 93 N 0.00 0.13 -0.02 0.16 1.63 -1.78 -2.42 116.57 114.27 1zit h LYS 93 Ca -0.01 -0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 59.69 1zit h LYS 93 Cb 1.35 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.97 1zit h LYS 93 CO 0.09 0.57 -0.18 -0.22 -3.45 0.00 0.00 179.45 176.26 1zit h LYS 94 N 0.11 0.03 0.00 1.90 1.63 -1.82 -3.44 116.57 114.98 1zit h LYS 94 Ca 0.01 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1zit h LYS 94 Cb 0.85 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.48 1zit h LYS 94 CO 0.07 0.21 0.00 0.41 -3.45 0.00 0.00 179.45 176.68 1zit n GLY 95 N -0.99 0.00 3.99 5.01 0.00 -1.04 -4.93 105.19 107.23 1zit n GLY 95 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 1zit n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zit s ALA 96 N 0.00 3.47 -0.38 4.61 0.00 -0.94 -4.84 121.76 123.68 1zit s ALA 96 Ca 0.00 -1.72 0.05 0.00 0.00 0.00 0.00 51.96 50.29 1zit s ALA 96 Cb 0.00 -2.10 0.61 0.00 0.00 0.00 0.00 23.12 21.63 1zit s ALA 96 CO 0.00 -1.69 1.77 0.98 0.00 0.00 0.00 175.76 176.82 1zit n TYR 97 N -3.03 2.55 0.00 0.00 9.36 0.42 -4.87 117.16 121.58 1zit n TYR 97 Ca 0.16 -1.50 0.00 0.00 3.32 0.00 0.00 57.90 59.88 1zit n TYR 97 Cb 0.60 -0.79 0.00 0.00 -0.63 0.00 0.00 39.34 38.52 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 -0.68 0.00 -3.07 2.98 0.28 -1.26 -4.83 120.64 114.06 1zit n GLU 98 Ca 0.48 0.00 -0.45 0.00 -0.16 0.00 0.00 57.16 57.03 1zit n GLU 98 Cb 1.46 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 34.29 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 -2.72 3.07 0.95 -1.84 0.40 -1.26 -4.06 117.98 112.52 1zit s PHE 99 Ca 0.00 -1.11 -0.12 0.00 -0.60 0.00 0.00 56.93 55.10 1zit s PHE 99 Cb 0.00 -4.08 0.10 0.00 0.51 0.00 0.00 43.02 39.55 1zit s PHE 99 CO 0.00 -1.34 0.72 -0.11 0.70 0.00 0.00 175.22 175.19 1zit n LEU 100 N 6.27 1.14 -0.12 -0.37 7.94 -1.09 -4.97 117.00 125.81 1zit n LEU 100 Ca 0.00 0.33 -0.15 0.00 -1.11 0.00 0.00 56.01 55.08 1zit n LEU 100 Cb 0.45 -1.31 -0.12 0.00 0.53 0.00 0.00 43.42 42.96 1zit n LEU 100 CO 0.55 -2.99 -1.27 -0.62 -1.11 0.00 0.00 177.39 171.95 1zit n GLU 101 N -2.91 0.67 -3.87 1.96 4.71 -1.26 -4.61 120.64 115.34 1zit n GLU 101 Ca 0.09 0.11 -0.27 0.00 -0.01 0.00 0.00 57.16 57.07 1zit n GLU 101 Cb 0.53 -1.50 -0.01 0.00 -1.01 0.00 0.00 31.44 29.46 1zit n GLU 101 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 1zit n LYS 102 N -3.11 -0.64 -1.10 3.49 -0.00 -1.26 -4.77 118.16 110.77 1zit n LYS 102 Ca -0.41 -0.11 -0.16 0.00 -0.00 0.00 0.00 58.31 57.63 1zit n LYS 102 Cb 1.01 -1.44 -0.14 0.00 -0.00 0.00 0.00 35.03 34.45 1zit n LYS 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1zit n PRO 103 N -3.44 2.14 -1.82 -1.58 -0.04 -1.26 -3.70 135.00 125.30 1zit n PRO 103 Ca -0.11 -1.29 -0.01 0.00 -0.04 0.00 0.00 63.50 62.05 1zit n PRO 103 Cb 0.37 -2.06 0.03 0.00 -0.04 0.00 0.00 33.50 31.80 1zit n PRO 103 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1zit n PHE 104 N 2.24 -0.49 -2.34 0.54 3.72 -1.26 -5.03 117.46 114.83 1zit n PHE 104 Ca 0.45 -0.43 -0.02 0.00 -0.05 0.00 0.00 57.45 57.41 1zit n PHE 104 Cb 0.83 0.81 0.01 0.00 -0.94 0.00 0.00 39.48 40.19 1zit n PHE 104 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1zit n SER 105 N -0.37 -4.93 -1.84 4.37 7.64 -1.24 -3.45 113.62 113.79 1zit n SER 105 Ca -0.05 -0.11 -0.01 0.00 1.01 0.00 0.00 58.87 59.71 1zit n SER 105 Cb 0.59 -3.22 -0.00 0.00 -1.01 0.00 0.00 64.21 60.58 1zit n SER 105 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1zit n VAL 106 N -1.62 -0.01 0.08 0.44 0.24 -1.25 -4.76 118.33 111.44 1zit n VAL 106 Ca -0.01 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.16 1zit n VAL 106 Cb 0.51 -0.06 -0.08 0.00 -1.47 0.00 0.00 33.84 32.74 1zit n VAL 106 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1zit h GLU 107 N 0.00 -0.18 -0.39 7.34 4.81 -1.83 -1.92 114.58 122.40 1zit h GLU 107 Ca -0.01 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1zit h GLU 107 Cb 0.58 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1zit h GLU 107 CO 0.02 0.09 0.23 0.00 -0.73 0.00 0.00 179.01 178.61 1zit h ARG 108 N -0.45 0.52 -0.38 1.92 -0.00 -1.87 0.39 114.38 114.51 1zit h ARG 108 Ca -0.02 -0.04 0.02 0.00 -0.50 0.00 0.00 59.98 59.44 1zit h ARG 108 Cb 0.36 -0.11 -0.02 0.00 0.00 0.00 0.00 29.97 30.19 1zit h ARG 108 CO 0.03 0.36 0.25 0.35 0.00 0.00 0.00 179.97 180.97 1zit h PHE 109 N 0.53 0.43 -0.40 3.04 3.57 -1.84 -1.04 116.94 121.22 1zit h PHE 109 Ca 0.14 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 1zit h PHE 109 Cb -0.02 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 1zit h PHE 109 CO 0.00 0.26 0.13 1.25 -2.23 0.00 0.00 178.31 177.72 1zit h LEU 110 N 0.45 0.59 -0.22 0.59 6.46 -0.13 0.41 115.31 123.46 1zit h LEU 110 Ca 0.15 -0.21 -0.03 0.00 -0.12 0.00 0.00 57.88 57.67 1zit h LEU 110 Cb 0.04 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 39.81 1zit h LEU 110 CO -0.03 0.64 0.01 -0.07 -0.62 0.00 0.00 178.44 178.36 1zit h LEU 111 N 0.51 0.38 -0.44 2.25 4.07 -1.16 -2.95 115.31 117.97 1zit h LEU 111 Ca 0.13 -0.30 -0.11 0.00 0.08 0.00 0.00 57.88 57.69 1zit h LEU 111 Cb 0.26 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 1zit h LEU 111 CO -0.00 0.58 -0.15 0.74 -1.08 0.00 0.00 178.44 178.52 1zit h THR 112 N 0.17 1.27 -0.56 0.22 2.02 -1.17 -3.18 112.91 111.68 1zit h THR 112 Ca 0.06 -1.28 0.11 0.00 0.77 0.00 0.00 66.41 66.07 1zit h THR 112 Cb 0.38 1.18 -0.11 0.00 -1.74 0.00 0.00 68.15 67.86 1zit h THR 112 CO 0.01 0.44 -0.26 0.40 0.37 0.00 0.00 175.52 176.47 1zit h ILE 113 N 0.71 0.26 -0.55 3.11 1.08 -0.11 -0.37 117.51 121.64 1zit h ILE 113 Ca 0.11 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.68 1zit h ILE 113 Cb 0.71 0.26 -0.11 0.00 -3.07 0.00 0.00 36.82 34.60 1zit h ILE 113 CO 0.05 0.00 -0.29 0.50 -0.69 0.00 0.00 178.15 177.72 1zit h LYS 114 N -0.12 -0.15 -1.00 2.37 3.11 -1.50 0.32 116.57 119.60 1zit h LYS 114 Ca 0.25 0.01 0.07 0.00 -2.81 0.00 0.00 60.65 58.17 1zit h LYS 114 Cb 0.52 0.03 -0.07 0.00 -1.00 0.00 0.00 32.23 31.71 1zit h LYS 114 CO -0.64 -0.10 0.65 0.45 -2.81 0.00 0.00 179.45 177.00 1zit h HIS 115 N -0.15 1.19 -0.59 1.91 3.86 -1.21 0.16 115.15 120.33 1zit h HIS 115 Ca 0.23 0.03 0.16 0.00 -1.16 0.00 0.00 60.37 59.63 1zit h HIS 115 Cb 0.53 -0.39 -0.03 0.00 1.06 0.00 0.00 27.41 28.58 1zit h HIS 115 CO -0.59 0.60 0.42 0.00 0.86 0.00 0.00 177.93 179.22 1zit h ALA 116 N 1.47 2.43 0.00 2.45 0.00 0.11 0.84 119.26 126.57 1zit h ALA 116 Ca 0.44 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.22 1zit h ALA 116 Cb 0.22 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1zit h ALA 116 CO -0.19 -0.60 -0.95 1.19 0.00 0.00 0.00 179.25 178.71 1zit n PHE 117 N -4.40 0.87 0.03 0.00 3.72 -0.08 -3.46 117.46 114.14 1zit n PHE 117 Ca 0.11 0.38 -0.13 0.00 -0.05 0.00 0.00 57.45 57.76 1zit n PHE 117 Cb 0.60 -0.90 -0.08 0.00 -0.94 0.00 0.00 39.48 38.16 1zit n PHE 117 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1zit h GLU 118 N -1.00 -0.03 0.00 -1.08 5.08 -0.62 -2.12 114.58 114.81 1zit h GLU 118 Ca -0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1zit h GLU 118 Cb 0.92 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1zit h GLU 118 CO -0.11 0.17 0.00 0.39 -1.00 0.00 0.00 179.01 178.46 1zit n GLU 119 N -5.01 0.23 -2.51 2.33 1.02 0.29 -3.19 120.64 113.80 1zit n GLU 119 Ca -0.08 0.11 -0.15 0.00 -0.02 0.00 0.00 57.16 57.02 1zit n GLU 119 Cb 0.13 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.07 1zit n GLU 119 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1zit n TYR 120 N -1.33 2.13 0.36 -0.32 4.19 -1.00 -4.99 117.16 116.20 1zit n TYR 120 Ca 0.09 -2.58 0.04 0.00 3.31 0.00 0.00 57.90 58.76 1zit n TYR 120 Cb 0.17 -0.26 0.04 0.00 0.49 0.00 0.00 39.34 39.78 1zit n TYR 120 CO 0.00 0.00 0.00 -1.13 0.91 0.00 0.00 176.86 176.64