#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zit s LYS 2 N 0.00 0.52 -0.07 2.12 3.01 -1.26 -5.15 119.74 118.92 1zit s LYS 2 Ca 0.00 1.02 -0.05 0.00 -1.01 0.00 0.00 55.97 55.93 1zit s LYS 2 Cb 0.00 0.12 0.03 0.00 -1.01 0.00 0.00 37.83 36.96 1zit s LYS 2 CO 0.00 -0.16 0.17 1.03 0.51 0.00 0.00 175.35 176.89 1zit s ARG 3 N 1.67 0.17 0.09 1.68 3.00 -1.26 -2.24 118.95 122.04 1zit s ARG 3 Ca -0.09 0.30 0.06 0.00 0.00 0.00 0.00 55.73 56.01 1zit s ARG 3 Cb -0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 34.95 34.84 1zit s ARG 3 CO -0.16 -0.08 -0.17 0.08 0.00 0.00 0.00 175.30 174.97 1zit s VAL 4 N 0.53 1.35 -0.01 3.52 1.01 -0.98 -3.45 120.40 122.37 1zit s VAL 4 Ca -0.04 -1.41 0.04 0.00 0.00 0.00 0.00 61.98 60.58 1zit s VAL 4 Cb -0.05 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 1zit s VAL 4 CO -0.03 -0.17 -0.13 -0.22 0.00 0.00 0.00 175.10 174.55 1zit s LEU 5 N -1.83 2.83 0.02 3.92 2.96 0.19 -2.19 118.68 124.58 1zit s LEU 5 Ca 0.02 -0.24 0.07 0.00 -0.22 0.00 0.00 54.13 53.76 1zit s LEU 5 Cb -0.10 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 1zit s LEU 5 CO 0.03 0.30 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.47 1zit s VAL 6 N -0.86 2.62 -0.09 1.68 1.01 0.47 -0.76 120.40 124.48 1zit s VAL 6 Ca 0.14 -1.16 -0.01 0.00 0.00 0.00 0.00 61.98 60.95 1zit s VAL 6 Cb -0.11 -2.06 0.03 0.00 0.00 0.00 0.00 36.38 34.24 1zit s VAL 6 CO 0.04 0.40 -0.03 -0.69 0.00 0.00 0.00 175.10 174.82 1zit s VAL 7 N -0.84 0.62 0.18 2.92 1.01 -0.60 -0.64 120.40 123.04 1zit s VAL 7 Ca 0.13 -0.05 -0.17 0.00 0.00 0.00 0.00 61.98 61.90 1zit s VAL 7 Cb -0.10 -0.74 0.03 0.00 0.00 0.00 0.00 36.38 35.57 1zit s VAL 7 CO 0.03 0.29 0.48 -0.62 0.00 0.00 0.00 175.10 175.28 1zit s ASP 8 N 1.87 -0.24 -0.28 3.32 -1.08 -1.23 0.14 116.67 119.18 1zit s ASP 8 Ca 0.05 -0.46 -0.04 0.00 -0.52 0.00 0.00 52.55 51.57 1zit s ASP 8 Cb -0.12 0.54 -0.05 0.00 -1.46 0.00 0.00 42.92 41.83 1zit s ASP 8 CO -0.06 -0.99 3.03 -0.67 0.52 0.00 0.00 175.17 177.00 1zit n ASP 9 N -0.30 6.01 -2.77 -0.34 2.03 -1.19 -3.37 116.55 116.61 1zit n ASP 9 Ca -0.11 -2.92 -0.12 0.00 0.52 0.00 0.00 54.79 52.15 1zit n ASP 9 Cb 0.63 -1.29 -0.03 0.00 -0.72 0.00 0.00 41.12 39.71 1zit n ASP 9 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1zit n GLU 10 N 1.45 1.04 0.00 -0.67 -0.58 -1.26 -4.77 120.64 115.85 1zit n GLU 10 Ca 0.45 -1.56 0.00 0.00 -0.42 0.00 0.00 57.16 55.63 1zit n GLU 10 Cb 0.68 0.68 0.00 0.00 -0.57 0.00 0.00 31.44 32.23 1zit n GLU 10 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1zit n GLU 11 N -0.46 0.00 -2.69 3.49 -0.58 -1.26 -4.45 120.64 114.69 1zit n GLU 11 Ca -0.05 0.01 -0.22 0.00 -0.42 0.00 0.00 57.16 56.48 1zit n GLU 11 Cb 0.27 -0.24 0.09 0.00 -0.57 0.00 0.00 31.44 30.99 1zit n GLU 11 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1zit s SER 12 N -1.15 4.61 0.46 1.62 1.04 -1.26 -4.82 113.70 114.20 1zit s SER 12 Ca 0.00 -0.43 -0.09 0.00 0.48 0.00 0.00 55.95 55.90 1zit s SER 12 Cb 0.00 -0.04 -0.08 0.00 0.10 0.00 0.00 66.02 66.00 1zit s SER 12 CO 0.00 -1.67 -0.33 -0.38 0.98 0.00 0.00 173.24 171.84 1zit n ILE 13 N -2.65 0.00 -3.19 -1.02 2.08 -1.26 -4.87 119.36 108.45 1zit n ILE 13 Ca 0.14 -0.27 -0.39 0.00 0.56 0.00 0.00 62.75 62.79 1zit n ILE 13 Cb 0.61 0.00 -0.06 0.00 -0.75 0.00 0.00 39.64 39.44 1zit n ILE 13 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1zit s THR 14 N -1.08 5.09 0.32 1.39 -4.23 -1.26 -5.01 115.64 110.87 1zit s THR 14 Ca 0.24 1.09 -0.26 0.00 -1.18 0.00 0.00 61.69 61.59 1zit s THR 14 Cb -0.15 -3.89 -0.14 0.00 1.34 0.00 0.00 72.50 69.66 1zit s THR 14 CO 0.42 0.19 0.69 -0.24 -0.54 0.00 0.00 174.62 175.14 1zit n SER 15 N 4.52 -0.27 0.00 3.99 2.88 -1.26 -1.46 113.62 122.02 1zit n SER 15 Ca -0.04 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 1zit n SER 15 Cb 0.51 -1.13 0.00 0.00 -0.75 0.00 0.00 64.21 62.83 1zit n SER 15 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1zit n SER 16 N 1.45 0.00 -0.03 -3.46 7.64 -1.26 -4.76 113.62 113.20 1zit n SER 16 Ca 0.12 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.87 1zit n SER 16 Cb 0.34 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.44 1zit n SER 16 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1zit h LEU 17 N 0.00 0.18 0.04 -3.43 -0.00 -1.67 -2.80 115.31 107.63 1zit h LEU 17 Ca 0.00 -0.59 0.01 0.00 -0.00 0.00 0.00 57.88 57.29 1zit h LEU 17 Cb 0.00 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 40.58 1zit h LEU 17 CO 0.00 0.74 -0.25 0.77 -0.00 0.00 0.00 178.44 179.70 1zit h SER 18 N -0.37 -0.76 -0.92 -0.43 4.64 -1.85 0.25 113.55 114.10 1zit h SER 18 Ca -0.00 0.08 0.21 0.00 -0.47 0.00 0.00 61.79 61.61 1zit h SER 18 Cb 0.72 0.28 -0.12 0.00 -0.31 0.00 0.00 62.40 62.98 1zit h SER 18 CO 0.02 -0.26 0.47 0.00 -0.87 0.00 0.00 176.83 176.19 1zit h ALA 19 N -1.05 1.50 0.07 5.18 0.00 -1.91 0.19 119.26 123.24 1zit h ALA 19 Ca -0.00 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1zit h ALA 19 Cb 0.35 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1zit h ALA 19 CO -0.15 -0.24 -0.03 0.82 0.00 0.00 0.00 179.25 179.65 1zit h ILE 20 N 0.53 0.00 -1.13 0.00 2.04 -1.10 -1.57 117.51 116.28 1zit h ILE 20 Ca 0.56 -0.02 0.32 0.00 1.00 0.00 0.00 64.86 66.72 1zit h ILE 20 Cb 0.99 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.01 1zit h ILE 20 CO -0.46 0.00 0.79 -0.07 0.00 0.00 0.00 178.15 178.41 1zit h LEU 21 N -0.11 0.09 -0.99 1.44 3.38 -0.30 1.09 115.31 119.90 1zit h LEU 21 Ca -0.01 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1zit h LEU 21 Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1zit h LEU 21 CO 0.02 0.01 -0.49 -0.08 0.09 0.00 0.00 178.44 177.99 1zit h GLU 22 N 0.07 0.00 0.11 1.13 4.81 -0.51 0.19 114.58 120.39 1zit h GLU 22 Ca 0.56 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 59.51 1zit h GLU 22 Cb 2.06 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.44 1zit h GLU 22 CO -0.07 0.49 -1.30 1.49 -0.73 0.00 0.00 179.01 178.90 1zit h GLU 23 N 0.00 0.23 0.09 1.92 4.81 0.22 -3.33 114.58 118.52 1zit h GLU 23 Ca -0.00 -0.39 -0.28 0.00 -0.13 0.00 0.00 59.36 58.55 1zit h GLU 23 Cb 0.89 0.15 0.02 0.00 0.63 0.00 0.00 28.75 30.44 1zit h GLU 23 CO 0.06 1.15 -1.16 0.93 -0.73 0.00 0.00 179.01 179.27 1zit h GLU 24 N 0.06 0.52 -0.31 1.92 4.39 -1.02 -3.49 114.58 116.66 1zit h GLU 24 Ca -0.15 -0.68 0.00 0.00 0.34 0.00 0.00 59.36 58.87 1zit h GLU 24 Cb 1.96 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 30.83 1zit h GLU 24 CO 0.18 1.29 0.00 0.41 -1.16 0.00 0.00 179.01 179.73 1zit n GLY 25 N 1.28 0.80 1.98 -3.84 0.00 0.62 -5.09 105.19 100.93 1zit n GLY 25 Ca -0.11 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.43 -2.27 -3.86 1.61 4.02 -0.84 -4.85 117.16 110.54 1zit n TYR 26 Ca 0.00 -1.10 -0.29 0.00 -0.01 0.00 0.00 57.90 56.49 1zit n TYR 26 Cb 0.11 -0.27 -0.11 0.00 -0.02 0.00 0.00 39.34 39.05 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 -0.96 3.64 -0.01 -0.72 2.46 -0.95 -4.88 115.29 113.88 1zit s HIS 27 Ca 0.27 -3.30 -0.25 0.00 0.47 0.00 0.00 55.06 52.25 1zit s HIS 27 Cb -0.02 -2.79 -0.04 0.00 -0.13 0.00 0.00 32.58 29.59 1zit s HIS 27 CO 0.17 -0.57 0.79 -1.25 -2.47 0.00 0.00 174.74 171.41 1zit s PRO 28 N -1.48 4.49 -0.05 2.88 0.04 -1.25 -2.32 135.00 137.32 1zit s PRO 28 Ca 0.25 1.07 0.03 0.00 0.04 0.00 0.00 61.00 62.39 1zit s PRO 28 Cb -0.04 -3.42 0.01 0.00 0.04 0.00 0.00 34.50 31.09 1zit s PRO 28 CO -0.16 0.13 -0.12 0.34 0.04 0.00 0.00 177.00 177.22 1zit s ASP 29 N 0.51 1.68 -0.03 6.66 -1.08 -0.93 -5.01 116.67 118.48 1zit s ASP 29 Ca 0.41 -0.28 0.08 0.00 -0.52 0.00 0.00 52.55 52.24 1zit s ASP 29 Cb -0.20 -0.65 -0.02 0.00 -1.46 0.00 0.00 42.92 40.60 1zit s ASP 29 CO 0.22 0.06 -0.26 0.42 0.52 0.00 0.00 175.17 176.13 1zit s THR 30 N 0.44 2.06 0.00 1.71 -4.23 -1.26 0.18 115.64 114.54 1zit s THR 30 Ca -0.10 -1.10 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 1zit s THR 30 Cb -0.13 -1.71 0.00 0.00 1.34 0.00 0.00 72.50 72.00 1zit s THR 30 CO 0.03 0.58 0.00 0.00 -0.54 0.00 0.00 174.62 174.68 1zit n ALA 31 N 2.52 0.00 -0.01 3.99 0.00 0.18 -4.86 120.51 122.34 1zit n ALA 31 Ca -0.16 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.28 1zit n ALA 31 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.25 2.10 -3.82 0.00 5.02 -1.22 -3.55 118.16 116.45 1zit n LYS 32 Ca 0.00 -0.01 -0.05 0.00 -2.02 0.00 0.00 58.31 56.23 1zit n LYS 32 Cb 0.00 -1.06 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 1zit n LYS 32 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1zit s THR 33 N -2.11 0.00 0.54 -0.18 2.01 -1.24 -3.18 115.64 111.48 1zit s THR 33 Ca -0.01 -0.79 0.21 0.00 0.31 0.00 0.00 61.69 61.41 1zit s THR 33 Cb 0.01 -2.42 0.32 0.00 0.01 0.00 0.00 72.50 70.42 1zit s THR 33 CO 0.10 0.00 2.13 -0.07 -0.69 0.00 0.00 174.62 176.09 1zit h LEU 34 N 2.00 0.00 -0.10 4.42 3.38 -1.95 0.47 115.31 123.54 1zit h LEU 34 Ca -0.26 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 1zit h LEU 34 Cb 1.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 1zit h LEU 34 CO 0.31 0.00 -0.06 0.03 0.09 0.00 0.00 178.44 178.81 1zit h ARG 35 N 0.00 0.21 -0.36 1.13 2.47 -1.99 -1.35 114.38 114.49 1zit h ARG 35 Ca 0.06 -0.10 -0.06 0.00 -1.26 0.00 0.00 59.98 58.62 1zit h ARG 35 Cb 0.25 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.55 1zit h ARG 35 CO -0.00 0.59 -0.02 1.49 0.56 0.00 0.00 179.97 182.59 1zit h GLU 36 N -0.17 0.58 0.28 0.04 4.57 -1.68 -2.60 114.58 115.60 1zit h GLU 36 Ca 0.02 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.05 1zit h GLU 36 Cb 0.54 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 1zit h GLU 36 CO 0.02 0.61 -0.13 0.00 -1.18 0.00 0.00 179.01 178.33 1zit h ALA 37 N 1.44 -0.37 -1.00 2.92 0.00 -0.84 -2.49 119.26 118.92 1zit h ALA 37 Ca 0.11 -0.15 0.20 0.00 0.00 0.00 0.00 54.91 55.08 1zit h ALA 37 Cb 0.38 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.21 1zit h ALA 37 CO 0.01 -0.60 0.62 0.93 0.00 0.00 0.00 179.25 180.21 1zit h GLU 38 N -0.59 0.65 -0.68 0.00 5.08 -1.11 0.98 114.58 118.91 1zit h GLU 38 Ca -0.04 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1zit h GLU 38 Cb 0.43 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 1zit h GLU 38 CO 0.06 0.43 0.45 -0.22 -1.00 0.00 0.00 179.01 178.73 1zit h LYS 39 N 0.67 0.89 -0.04 2.33 3.11 -1.23 0.72 116.57 123.02 1zit h LYS 39 Ca 0.57 -0.05 -0.07 0.00 -2.81 0.00 0.00 60.65 58.29 1zit h LYS 39 Cb 1.03 -0.20 0.00 0.00 -1.00 0.00 0.00 32.23 32.06 1zit h LYS 39 CO -0.36 0.59 -0.25 0.87 -2.81 0.00 0.00 179.45 177.49 1zit h LYS 40 N 0.91 0.24 0.00 1.90 1.79 0.05 -3.16 116.57 118.30 1zit h LYS 40 Ca 0.25 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1zit h LYS 40 Cb -0.10 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.60 1zit h LYS 40 CO -0.06 0.87 0.00 0.82 -1.08 0.00 0.00 179.45 180.00 1zit h ILE 41 N -0.33 0.00 0.00 1.86 2.04 0.98 0.76 117.51 122.82 1zit h ILE 41 Ca -0.02 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1zit h ILE 41 Cb 0.92 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1zit h ILE 41 CO 0.05 0.00 0.00 0.11 0.00 0.00 0.00 178.15 178.31 1zit h LYS 42 N 0.00 0.00 0.00 2.37 1.79 0.51 -3.35 116.57 117.89 1zit h LYS 42 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1zit h LYS 42 Cb 0.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1zit h LYS 42 CO 0.00 0.00 -0.46 0.39 -1.08 0.00 0.00 179.45 178.30 1zit n GLU 43 N -3.05 0.00 -2.22 3.15 1.02 -0.94 -5.03 120.64 113.56 1zit n GLU 43 Ca -0.03 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.69 1zit n GLU 43 Cb 0.09 -0.25 -0.02 0.00 -0.02 0.00 0.00 31.44 31.24 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 -5.60 4.06 -1.44 -4.62 2.01 0.22 -4.91 118.68 108.39 1zit s LEU 44 Ca 0.00 1.71 -0.11 0.00 0.01 0.00 0.00 54.13 55.74 1zit s LEU 44 Cb 0.00 -3.54 0.05 0.00 0.01 0.00 0.00 46.19 42.71 1zit s LEU 44 CO 0.00 -1.03 2.35 0.33 1.01 0.00 0.00 176.35 179.02 1zit n PHE 45 N 7.55 3.00 -1.73 0.29 7.35 -1.26 -4.30 117.46 128.35 1zit n PHE 45 Ca 0.17 -2.95 -0.42 0.00 -0.76 0.00 0.00 57.45 53.49 1zit n PHE 45 Cb 0.45 -2.31 -0.02 0.00 0.35 0.00 0.00 39.48 37.95 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 4.41 2.72 0.09 -5.13 3.72 -1.26 -4.92 117.46 117.09 1zit n PHE 46 Ca 0.57 0.32 -0.16 0.00 -0.05 0.00 0.00 57.45 58.13 1zit n PHE 46 Cb 0.33 -2.56 -0.14 0.00 -0.94 0.00 0.00 39.48 36.17 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 4.38 0.27 -5.31 -1.08 0.14 -1.94 -3.43 132.00 125.03 1zit h PRO 47 Ca -0.47 -0.46 -0.55 0.00 0.14 0.00 0.00 66.00 64.66 1zit h PRO 47 Cb 1.24 0.17 -0.31 0.00 0.14 0.00 0.00 31.00 32.24 1zit h PRO 47 CO 0.76 1.19 -0.83 0.08 0.14 0.00 0.00 178.00 179.34 1zit s VAL 48 N -2.64 1.36 -0.24 1.56 1.01 -1.22 0.14 120.40 120.36 1zit s VAL 48 Ca -0.05 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.21 1zit s VAL 48 Cb 0.07 -1.16 0.08 0.00 0.00 0.00 0.00 36.38 35.36 1zit s VAL 48 CO 0.88 0.39 0.08 -0.63 0.00 0.00 0.00 175.10 175.82 1zit s ILE 49 N -0.04 0.42 -0.17 2.22 -1.09 0.19 0.53 121.20 123.27 1zit s ILE 49 Ca -0.02 -0.77 -0.07 0.00 -2.23 0.00 0.00 60.65 57.56 1zit s ILE 49 Cb -0.10 -1.13 -0.04 0.00 -1.58 0.00 0.00 42.46 39.61 1zit s ILE 49 CO 0.01 -0.45 0.07 -0.69 -1.23 0.00 0.00 174.94 172.66 1zit s VAL 50 N 1.88 4.85 0.01 2.92 1.01 0.07 -2.09 120.40 129.04 1zit s VAL 50 Ca 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 1zit s VAL 50 Cb -0.17 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1zit s VAL 50 CO -0.19 0.49 0.20 -0.22 0.00 0.00 0.00 175.10 175.38 1zit s LEU 51 N 0.12 4.37 -0.25 3.92 2.96 -1.26 -1.56 118.68 126.98 1zit s LEU 51 Ca 0.05 0.35 -0.00 0.00 -0.22 0.00 0.00 54.13 54.31 1zit s LEU 51 Cb -0.12 -2.70 0.07 0.00 0.50 0.00 0.00 46.19 43.94 1zit s LEU 51 CO 0.00 0.24 0.01 -0.62 -1.32 0.00 0.00 176.35 174.67 1zit s ASP 52 N -2.04 3.74 -1.44 3.68 2.15 0.37 -0.56 116.67 122.57 1zit s ASP 52 Ca 0.29 -1.28 -0.14 0.00 0.43 0.00 0.00 52.55 51.85 1zit s ASP 52 Cb -0.13 -1.00 0.05 0.00 -0.30 0.00 0.00 42.92 41.55 1zit s ASP 52 CO 0.20 -0.31 2.19 0.52 -0.17 0.00 0.00 175.17 177.61 1zit n VAL 53 N 4.77 3.55 0.00 1.11 0.31 -1.26 -4.24 118.33 122.57 1zit n VAL 53 Ca -0.08 -3.17 0.00 0.00 -0.01 0.00 0.00 64.34 61.09 1zit n VAL 53 Cb 0.44 -2.58 0.00 0.00 -0.91 0.00 0.00 33.84 30.79 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 5.90 0.00 -2.69 3.52 -0.00 -1.26 -4.83 117.44 118.08 1zit n TRP 54 Ca 0.51 0.00 -0.07 0.00 -0.00 0.00 0.00 57.50 57.93 1zit n TRP 54 Cb 0.39 -0.09 0.07 0.00 -0.00 0.00 0.00 31.31 31.68 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 -0.77 1.21 0.00 5.87 0.00 -1.26 -5.04 117.12 117.13 1zit n MET 55 Ca 0.00 -2.58 0.00 0.00 0.00 0.00 0.00 57.70 55.12 1zit n MET 55 Cb 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 33.22 32.53 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 -0.38 2.41 -2.70 3.17 -0.05 -1.26 -4.91 135.00 131.28 1zit n PRO 56 Ca 0.03 0.00 -0.07 0.00 -0.05 0.00 0.00 63.50 63.41 1zit n PRO 56 Cb 0.83 0.00 0.11 0.00 -0.05 0.00 0.00 33.50 34.39 1zit n PRO 56 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 1zit n ASP 57 N 0.00 -1.94 -4.17 3.54 2.03 -1.26 -5.12 116.55 109.64 1zit n ASP 57 Ca 0.00 -2.64 -0.18 0.00 0.52 0.00 0.00 54.79 52.49 1zit n ASP 57 Cb 0.00 1.19 -0.12 0.00 -0.72 0.00 0.00 41.12 41.47 1zit n ASP 57 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1zit s GLY 58 N -1.14 0.85 -0.48 0.27 0.00 -1.26 -5.10 107.32 100.46 1zit s GLY 58 Ca 0.21 -0.98 -0.29 0.00 0.00 0.00 0.00 44.72 43.66 1zit s GLY 58 CO -0.08 -1.01 1.31 -0.35 0.00 0.00 0.00 173.10 172.97 1zit s ASP 59 N -1.70 6.39 0.18 1.64 -1.08 -1.26 -4.86 116.67 115.97 1zit s ASP 59 Ca -0.02 0.55 0.23 0.00 -0.52 0.00 0.00 52.55 52.78 1zit s ASP 59 Cb -0.10 -2.55 0.06 0.00 -1.46 0.00 0.00 42.92 38.87 1zit s ASP 59 CO 0.02 -1.44 1.08 0.61 0.52 0.00 0.00 175.17 175.96 1zit n GLY 60 N 5.05 -1.43 0.48 2.66 0.00 -1.26 -3.74 105.19 106.94 1zit n GLY 60 Ca 0.14 -0.25 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 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 0.10 0.00 1.61 2.07 -1.89 -2.59 116.25 115.55 1zit h VAL 61 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1zit h VAL 61 Cb 0.94 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1zit h VAL 61 CO 0.00 0.00 -0.09 -0.55 0.02 0.00 0.00 177.57 176.95 1zit h ASN 62 N -1.14 0.00 -0.94 0.57 -1.07 -1.92 -3.02 115.58 108.06 1zit h ASN 62 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.27 1zit h ASN 62 Cb 0.90 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 37.11 1zit h ASN 62 CO 0.12 0.09 0.61 0.15 0.07 0.00 0.00 177.43 178.47 1zit h PHE 63 N 0.00 1.21 -1.07 4.14 3.57 -1.55 -2.15 116.94 121.09 1zit h PHE 63 Ca -0.00 0.02 0.31 0.00 3.53 0.00 0.00 57.97 61.83 1zit h PHE 63 Cb 0.53 -0.40 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 1zit h PHE 63 CO 0.00 0.78 0.88 0.82 -2.23 0.00 0.00 178.31 178.55 1zit h ILE 64 N 1.29 0.30 -0.04 1.41 2.04 -1.37 0.84 117.51 121.98 1zit h ILE 64 Ca 0.34 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 66.00 1zit h ILE 64 Cb -0.12 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1zit h ILE 64 CO -0.07 0.00 -0.84 -0.78 0.00 0.00 0.00 178.15 176.46 1zit h ASP 65 N 0.00 0.53 -0.44 1.72 1.82 -1.59 -3.01 116.42 115.45 1zit h ASP 65 Ca 0.51 -0.39 -0.01 0.00 -0.39 0.00 0.00 57.03 56.75 1zit h ASP 65 Cb 2.25 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 42.08 1zit h ASP 65 CO -0.01 1.16 0.24 0.15 -1.61 0.00 0.00 179.24 179.18 1zit h PHE 66 N 0.27 0.61 -0.86 0.28 3.04 0.62 1.23 116.94 122.13 1zit h PHE 66 Ca -0.06 -0.01 0.05 0.00 3.98 0.00 0.00 57.97 61.92 1zit h PHE 66 Cb 1.45 -0.19 -0.06 0.00 2.56 0.00 0.00 35.95 39.71 1zit h PHE 66 CO 0.05 0.46 0.54 0.82 -2.02 0.00 0.00 178.31 178.17 1zit h ILE 67 N 0.58 1.09 0.00 1.41 5.03 -1.48 -1.21 117.51 122.93 1zit h ILE 67 Ca 0.16 -0.35 -0.07 0.00 -0.12 0.00 0.00 64.86 64.47 1zit h ILE 67 Cb 0.05 -0.02 -0.01 0.00 -3.03 0.00 0.00 36.82 33.81 1zit h ILE 67 CO -0.03 0.19 -0.46 0.11 -0.68 0.00 0.00 178.15 177.28 1zit h LYS 68 N 1.03 0.00 -0.12 2.37 1.79 -1.29 0.95 116.57 121.29 1zit h LYS 68 Ca 0.36 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.78 1zit h LYS 68 Cb 0.08 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 1zit h LYS 68 CO -0.14 0.31 -0.15 1.49 -1.08 0.00 0.00 179.45 179.87 1zit h GLU 69 N 0.00 0.19 0.00 3.15 4.81 0.27 -3.17 114.58 119.83 1zit h GLU 69 Ca -0.02 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1zit h GLU 69 Cb 1.27 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1zit h GLU 69 CO 0.04 0.34 -0.19 0.27 -0.73 0.00 0.00 179.01 178.74 1zit n ASN 70 N -4.27 0.81 -2.70 1.04 0.23 -0.81 -4.92 115.26 104.64 1zit n ASN 70 Ca -0.01 -1.99 -0.05 0.00 -0.53 0.00 0.00 54.58 52.00 1zit n ASN 70 Cb 0.27 -0.17 0.05 0.00 -2.08 0.00 0.00 39.78 37.85 1zit n ASN 70 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1zit n SER 71 N -0.39 -2.10 -0.04 0.53 2.88 0.33 -5.01 113.62 109.82 1zit n SER 71 Ca 0.04 -2.21 0.14 0.00 -1.33 0.00 0.00 58.87 55.50 1zit n SER 71 Cb 0.57 1.19 0.59 0.00 -0.75 0.00 0.00 64.21 65.81 1zit n SER 71 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1zit n PRO 72 N 1.97 0.32 0.00 -1.46 -0.05 -1.20 -3.37 135.00 131.21 1zit n PRO 72 Ca 0.08 -0.08 0.11 0.00 -0.05 0.00 0.00 63.50 63.56 1zit n PRO 72 Cb 0.65 -1.50 -0.02 0.00 -0.05 0.00 0.00 33.50 32.59 1zit n PRO 72 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 1zit n ASP 73 N -1.27 1.71 -2.61 3.54 2.03 -1.26 -4.97 116.55 113.72 1zit n ASP 73 Ca 0.11 -1.34 -0.07 0.00 0.52 0.00 0.00 54.79 54.00 1zit n ASP 73 Cb 0.30 0.60 0.04 0.00 -0.72 0.00 0.00 41.12 41.34 1zit n ASP 73 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1zit n SER 74 N -0.45 0.20 -4.19 1.67 3.41 -1.22 -4.28 113.62 108.76 1zit n SER 74 Ca 0.08 -1.22 -0.23 0.00 -0.26 0.00 0.00 58.87 57.23 1zit n SER 74 Cb 0.43 -0.22 -0.14 0.00 -0.26 0.00 0.00 64.21 64.01 1zit n SER 74 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1zit s VAL 75 N -1.21 1.39 -0.36 -3.33 1.01 0.36 -4.94 120.40 113.32 1zit s VAL 75 Ca 0.19 -1.05 0.03 0.00 0.00 0.00 0.00 61.98 61.15 1zit s VAL 75 Cb -0.01 -1.22 0.11 0.00 0.00 0.00 0.00 36.38 35.26 1zit s VAL 75 CO 0.13 0.14 0.10 -0.69 0.00 0.00 0.00 175.10 174.78 1zit s VAL 76 N -0.77 1.97 -0.01 2.92 1.01 -1.26 0.58 120.40 124.84 1zit s VAL 76 Ca 0.05 -2.29 -0.03 0.00 0.00 0.00 0.00 61.98 59.71 1zit s VAL 76 Cb -0.08 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 1zit s VAL 76 CO 0.01 -0.66 0.35 0.40 0.00 0.00 0.00 175.10 175.21 1zit h ILE 77 N 6.36 0.00 -4.70 2.22 1.08 -1.80 0.31 117.51 120.98 1zit h ILE 77 Ca -0.06 -0.20 0.01 0.00 -0.39 0.00 0.00 64.86 64.22 1zit h ILE 77 Cb 1.00 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.65 1zit h ILE 77 CO 0.53 0.00 -1.30 0.52 -0.69 0.00 0.00 178.15 177.21 1zit n VAL 78 N -2.87-11.37 -0.43 1.67 0.31 -1.26 -3.40 118.33 100.99 1zit n VAL 78 Ca -0.01 2.28 0.00 0.00 -0.01 0.00 0.00 64.34 66.60 1zit n VAL 78 Cb 0.05 -6.17 0.00 0.00 -0.91 0.00 0.00 33.84 26.81 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 1.33 0.00 -2.84 2.52 5.41 0.28 -3.74 119.36 122.32 1zit n ILE 79 Ca -0.32 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.40 1zit n ILE 79 Cb 0.49 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.42 1zit n ILE 79 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1zit n THR 80 N 0.00-10.23 -2.62 1.39 -2.24 -1.26 -4.60 114.28 94.72 1zit n THR 80 Ca 0.00 1.41 -0.02 0.00 -2.27 0.00 0.00 64.05 63.16 1zit n THR 80 Cb 0.00 -6.37 0.07 0.00 -2.10 0.00 0.00 70.33 61.94 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 0.53 0.73 0.14 3.38 0.00 -1.26 -4.83 105.19 103.88 1zit n GLY 81 Ca 0.02 -0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.79 1zit n GLY 81 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1zit h HIS 82 N 0.84 0.56 0.00 1.61 2.76 -1.94 -3.30 115.15 115.68 1zit h HIS 82 Ca -0.31 -0.26 -0.34 0.00 -2.20 0.00 0.00 60.37 57.27 1zit h HIS 82 Cb 1.20 -0.08 -0.05 0.00 1.55 0.00 0.00 27.41 30.03 1zit h HIS 82 CO -0.09 1.03 -1.96 0.41 -1.30 0.00 0.00 177.93 176.02 1zit n GLY 83 N 0.79 -0.59 2.92 5.26 0.00 -1.26 -4.64 105.19 107.66 1zit n GLY 83 Ca -0.09 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 -4.34 6.35 0.30 1.61 7.64 -1.26 -4.78 113.62 119.14 1zit n SER 84 Ca -0.43 -3.38 0.20 0.00 1.01 0.00 0.00 58.87 56.27 1zit n SER 84 Cb 0.77 -1.30 1.05 0.00 -1.01 0.00 0.00 64.21 63.72 1zit n SER 84 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 1zit h VAL 85 N 3.32 0.00 -0.82 0.44 3.04 -1.82 -2.48 116.25 117.92 1zit h VAL 85 Ca 0.29 -0.07 0.17 0.00 -1.01 0.00 0.00 66.70 66.09 1zit h VAL 85 Cb 0.57 0.98 -0.06 0.00 -2.01 0.00 0.00 31.29 30.78 1zit h VAL 85 CO 1.38 0.00 0.55 0.44 -1.01 0.00 0.00 177.57 178.93 1zit h ASP 86 N 0.00 0.39 -0.45 3.17 5.19 -1.90 0.19 116.42 123.00 1zit h ASP 86 Ca 0.00 0.03 0.03 0.00 -0.62 0.00 0.00 57.03 56.47 1zit h ASP 86 Cb 0.07 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.51 1zit h ASP 86 CO 0.00 0.18 0.30 0.00 -3.12 0.00 0.00 179.24 176.60 1zit h THR 87 N 0.40 1.06 0.85 0.35 1.03 -1.82 -1.05 112.91 113.73 1zit h THR 87 Ca 0.41 -0.18 -0.04 0.00 -0.01 0.00 0.00 66.41 66.60 1zit h THR 87 Cb 1.00 0.49 0.00 0.00 -1.07 0.00 0.00 68.15 68.58 1zit h THR 87 CO -0.14 0.09 -0.45 0.00 -0.01 0.00 0.00 175.52 175.01 1zit h ALA 88 N 1.74 -1.22 -0.08 0.00 0.00 -0.83 -0.08 119.26 118.79 1zit h ALA 88 Ca 0.18 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1zit h ALA 88 Cb 0.08 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1zit h ALA 88 CO -0.04 -1.19 0.07 -0.39 0.00 0.00 0.00 179.25 177.70 1zit h VAL 89 N -1.20 0.71 0.00 0.00 -1.51 -1.48 0.62 116.25 113.40 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 0.94 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 31.04 1zit h VAL 89 CO 0.16 0.00 -0.04 1.17 -1.23 0.00 0.00 177.57 177.64 1zit n LYS 90 N -4.15 0.18 -0.06 5.19 4.81 -0.43 -2.65 118.16 121.06 1zit n LYS 90 Ca -0.01 0.14 -0.07 0.00 -0.87 0.00 0.00 58.31 57.50 1zit n LYS 90 Cb 0.18 -1.70 -0.07 0.00 0.02 0.00 0.00 35.03 33.45 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 -1.70 1.73 0.14 3.14 0.00 0.35 -4.57 120.51 119.62 1zit n ALA 91 Ca 0.06 -0.62 0.02 0.00 0.00 0.00 0.00 53.44 52.90 1zit n ALA 91 Cb 0.40 0.12 0.11 0.00 0.00 0.00 0.00 19.45 20.08 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 1.02 0.00 0.00 3.07 -0.01 -3.13 117.51 118.46 1zit h ILE 92 Ca -0.28 -2.18 -0.05 0.00 1.55 0.00 0.00 64.86 63.90 1zit h ILE 92 Cb 1.54 2.32 -0.01 0.00 -0.27 0.00 0.00 36.82 40.40 1zit h ILE 92 CO -0.02 0.53 -0.26 0.50 -1.05 0.00 0.00 178.15 177.86 1zit h LYS 93 N 0.00 0.00 0.26 0.16 1.63 -1.70 -3.18 116.57 113.74 1zit h LYS 93 Ca -0.01 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 1zit h LYS 93 Cb 1.28 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.91 1zit h LYS 93 CO 0.07 0.26 -0.13 -0.22 -3.45 0.00 0.00 179.45 175.98 1zit h LYS 94 N 0.00 -0.34 0.00 1.90 1.63 -1.79 -3.47 116.57 114.51 1zit h LYS 94 Ca -0.00 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1zit h LYS 94 Cb 0.51 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 1zit h LYS 94 CO 0.03 -0.10 0.00 0.41 -3.45 0.00 0.00 179.45 176.35 1zit n GLY 95 N 0.70 0.00 0.00 5.01 0.00 -1.20 -5.02 105.19 104.67 1zit n GLY 95 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.11 4.61 0.00 -1.20 -4.58 120.51 118.23 1zit n ALA 96 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1zit n ALA 96 Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.72 1zit n ALA 96 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1zit n TYR 97 N -0.57 1.46 -0.97 0.00 9.36 0.11 -4.77 117.16 121.78 1zit n TYR 97 Ca 0.00 -1.13 0.00 0.00 3.32 0.00 0.00 57.90 60.09 1zit n TYR 97 Cb 0.00 -0.47 0.00 0.00 -0.63 0.00 0.00 39.34 38.24 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 -0.51 0.00 -1.35 2.98 0.28 -1.26 -4.86 120.64 115.90 1zit n GLU 98 Ca 0.30 0.48 0.17 0.00 -0.16 0.00 0.00 57.16 57.95 1zit n GLU 98 Cb 1.08 -3.88 -0.08 0.00 1.43 0.00 0.00 31.44 29.99 1zit n GLU 98 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1zit n PHE 99 N -2.97 -3.62 -3.85 -1.84 3.01 -1.22 -4.86 117.46 102.11 1zit n PHE 99 Ca 0.00 1.98 -0.35 0.00 1.01 0.00 0.00 57.45 60.08 1zit n PHE 99 Cb 0.00 -3.29 -0.08 0.00 -0.01 0.00 0.00 39.48 36.10 1zit n PHE 99 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1zit s LEU 100 N -7.08 4.16 0.01 4.37 1.98 -1.25 -5.01 118.68 115.86 1zit s LEU 100 Ca 0.00 0.27 -0.14 0.00 -2.89 0.00 0.00 54.13 51.37 1zit s LEU 100 Cb 0.00 -2.05 -0.08 0.00 0.66 0.00 0.00 46.19 44.72 1zit s LEU 100 CO 0.00 0.25 0.96 -0.33 -1.89 0.00 0.00 176.35 175.34 1zit h GLU 101 N 6.12 -0.49 -5.16 1.98 4.39 -1.96 -3.45 114.58 116.02 1zit h GLU 101 Ca -0.45 0.03 -0.17 0.00 0.34 0.00 0.00 59.36 59.11 1zit h GLU 101 Cb 1.18 0.11 0.14 0.00 -0.10 0.00 0.00 28.75 30.08 1zit h GLU 101 CO 0.69 -0.32 -0.60 1.17 -1.16 0.00 0.00 179.01 178.78 1zit n LYS 102 N -3.70 -1.82 0.00 2.33 4.81 -1.26 -4.90 118.16 113.62 1zit n LYS 102 Ca -0.06 0.90 0.14 0.00 -0.87 0.00 0.00 58.31 58.42 1zit n LYS 102 Cb 0.20 -5.33 0.84 0.00 0.02 0.00 0.00 35.03 30.75 1zit n LYS 102 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1zit n PRO 103 N -2.75 0.92 0.00 1.64 -0.04 -1.26 -4.57 135.00 128.95 1zit n PRO 103 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1zit n PRO 103 Cb 0.58 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.98 -0.02 -3.12 0.54 3.72 -1.26 -5.18 117.46 111.17 1zit n PHE 104 Ca 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 1zit n PHE 104 Cb 0.10 0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 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 -1.68 0.00 0.01 4.37 7.64 -1.26 -5.03 113.62 117.67 1zit n SER 105 Ca 0.00 -0.89 0.05 0.00 1.01 0.00 0.00 58.87 59.04 1zit n SER 105 Cb 0.00 0.00 0.44 0.00 -1.01 0.00 0.00 64.21 63.64 1zit n SER 105 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 1zit h VAL 106 N 0.89 1.09 -1.08 0.44 3.04 -1.97 -2.29 116.25 116.37 1zit h VAL 106 Ca 0.00 -0.18 0.32 0.00 -1.01 0.00 0.00 66.70 65.83 1zit h VAL 106 Cb 0.00 0.52 -0.13 0.00 -2.01 0.00 0.00 31.29 29.68 1zit h VAL 106 CO 0.00 0.10 0.66 -0.08 -1.01 0.00 0.00 177.57 177.24 1zit h GLU 107 N 0.52 0.31 -0.44 4.17 4.81 -1.95 0.87 114.58 122.87 1zit h GLU 107 Ca 0.15 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.22 1zit h GLU 107 Cb -0.03 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1zit h GLU 107 CO -0.03 0.20 -0.27 -0.09 -0.73 0.00 0.00 179.01 178.09 1zit h ARG 108 N 0.32 0.95 -0.10 1.92 1.12 -1.82 -2.54 114.38 114.23 1zit h ARG 108 Ca 0.71 -0.43 0.03 0.00 -1.11 0.00 0.00 59.98 59.18 1zit h ARG 108 Cb 1.78 -0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 31.72 1zit h ARG 108 CO -0.47 1.09 0.09 0.35 -3.11 0.00 0.00 179.97 177.93 1zit h PHE 109 N 0.80 0.00 -0.09 2.20 3.57 0.67 -2.12 116.94 121.97 1zit h PHE 109 Ca 0.09 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.61 1zit h PHE 109 Cb 0.85 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 1zit h PHE 109 CO 0.05 0.00 0.01 1.25 -2.23 0.00 0.00 178.31 177.39 1zit h LEU 110 N 0.00 -0.02 0.06 0.59 6.46 -0.92 -2.32 115.31 119.17 1zit h LEU 110 Ca 0.05 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.85 1zit h LEU 110 Cb 0.23 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.15 1zit h LEU 110 CO -0.00 0.01 -0.28 -0.07 -0.62 0.00 0.00 178.44 177.47 1zit h LEU 111 N 0.04 -0.83 -0.17 2.25 4.07 -1.48 -2.90 115.31 116.30 1zit h LEU 111 Ca 0.04 0.10 0.05 0.00 0.08 0.00 0.00 57.88 58.15 1zit h LEU 111 Cb 0.04 0.33 -0.07 0.00 1.08 0.00 0.00 40.66 42.04 1zit h LEU 111 CO -0.07 -0.36 -0.43 0.74 -1.08 0.00 0.00 178.44 177.24 1zit h THR 112 N -0.47 0.13 -0.32 0.22 2.02 -1.55 -2.89 112.91 110.04 1zit h THR 112 Ca 0.05 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.25 1zit h THR 112 Cb 0.52 0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.02 1zit h THR 112 CO -0.20 0.00 -0.19 -0.38 0.37 0.00 0.00 175.52 175.12 1zit n ILE 113 N -5.43 -0.22 -0.02 3.11 2.08 -0.88 0.14 119.36 118.14 1zit n ILE 113 Ca -0.04 1.04 -0.14 0.00 0.56 0.00 0.00 62.75 64.18 1zit n ILE 113 Cb 0.36 -1.31 -0.08 0.00 -0.75 0.00 0.00 39.64 37.86 1zit n ILE 113 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 1zit h LYS 114 N 0.00 -0.51 -0.49 0.38 3.11 -1.55 0.61 116.57 118.13 1zit h LYS 114 Ca 0.05 0.03 0.14 0.00 -2.81 0.00 0.00 60.65 58.07 1zit h LYS 114 Cb 0.13 0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 31.46 1zit h LYS 114 CO -0.30 -0.34 0.42 0.45 -2.81 0.00 0.00 179.45 176.87 1zit h HIS 115 N -0.53 0.00 -0.24 1.91 3.86 0.93 0.43 115.15 121.51 1zit h HIS 115 Ca 0.06 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.13 1zit h HIS 115 Cb 0.66 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.13 1zit h HIS 115 CO -0.56 0.00 -0.38 0.00 0.86 0.00 0.00 177.93 177.86 1zit h ALA 116 N 1.61 0.37 -0.01 2.45 0.00 0.67 -2.91 119.26 121.44 1zit h ALA 116 Ca 0.23 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1zit h ALA 116 Cb 1.07 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1zit h ALA 116 CO -0.00 0.45 0.02 0.74 0.00 0.00 0.00 179.25 180.46 1zit h PHE 117 N 0.39 0.00 -0.04 0.00 -1.00 0.11 -1.73 116.94 114.67 1zit h PHE 117 Ca 0.02 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.81 1zit h PHE 117 Cb 0.97 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.53 1zit h PHE 117 CO 0.08 0.00 0.19 0.93 -1.61 0.00 0.00 178.31 177.90 1zit h GLU 118 N 0.00 0.00 -0.94 1.51 4.39 -1.35 0.31 114.58 118.50 1zit h GLU 118 Ca 0.00 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.44 1zit h GLU 118 Cb 0.04 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 28.53 1zit h GLU 118 CO -0.00 0.00 0.34 0.39 -1.16 0.00 0.00 179.01 178.58 1zit n GLU 119 N -3.13 2.23 -0.84 2.33 -0.58 -0.65 -4.17 120.64 115.83 1zit n GLU 119 Ca -0.02 -2.01 -0.06 0.00 -0.42 0.00 0.00 57.16 54.66 1zit n GLU 119 Cb 0.26 -1.83 0.20 0.00 -0.57 0.00 0.00 31.44 29.50 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 -0.36 1.37 0.96 -0.32 9.36 0.10 -4.67 117.16 123.60 1zit n TYR 120 Ca 0.35 -1.57 0.12 0.00 3.32 0.00 0.00 57.90 60.12 1zit n TYR 120 Cb 1.19 -0.54 0.10 0.00 -0.63 0.00 0.00 39.34 39.45 1zit n TYR 120 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53